A0A087Y1U8_POEFO Loading...

S-adenosylmethionine-dependent nucleotide dehydratase RSAD2

AlphaFold DB , UniProt , Accession A0A087Y1U8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 aa.

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(Predicted Aligned Error values between residue pairs)

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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	S	39.3	Very low	42.5	Very low	172 Å²	172	130.7 Å²	130.7	100%	1.203	79%	0.791	S	S	*	*				0	89.4	0	31.8	0	0	0	0	107.3
2	D	38.1	Very low	43.3	Very low	162 Å²	162	123.7 Å²	123.7	87%	0.866	76%	0.757	S	S	*	*			trans	-72.3	129.8	-178.8	-68.9	-57.1	0	0	0	111.1
3	F	31.8	Very low	43.8	Very low	207 Å²	207	123.2 Å²	123.2	91%	0.908	75%	0.746	S	S	*	*			trans	-126.6	103.4	162.6	-125.9	-92.9	0	0	0	108.1
4	K	32.9	Very low	44.3	Very low	202 Å²	202	122.6 Å²	122.6	88%	0.878	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-85.3	124.7	171.6	-98.4	177.6	173.3	175.3	0	108.9
5	M	36.1	Very low	44.8	Very low	171 Å²	171	123.5 Å²	123.5	84%	0.842	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-84.2	143.2	164.2	-77.7	-152.7	64.8	0	0	110.9
6	P	43.2	Very low	45.2	Very low	116 Å²	116	123.5 Å²	123.5	75%	0.753	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-80.7	130.4	178	30.8	-30.2	0	0	0	111.2
7	G	39.9	Very low	45.6	Very low	78 Å²	78	120.7 Å²	120.7	80%	0.804	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-76.5	128.5	172.8	0	0	0	0	0	111.5
8	V	46.9	Very low	46.2	Very low	120 Å²	120	119.1 Å²	119.1	73%	0.727	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-76.5	126.7	169.4	-179.7	0	0	0	0	108
9	S	56.3	Low	46.4	Very low	80 Å²	80	118.5 Å²	118.5	56%	0.559	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-76	142.5	-178.9	91.2	0	0	0	0	111.1	G11 A12	S9-G11 PolarHBondContact O-N 3.44Å; S9-A12 PolarHBondContact O-N 3.09Å; S9-A12 VanDerWaalsContact O-N 3.11Å
10	A	50.1	Low	46.6	Very low	87 Å²	87	116.3 Å²	116.3	72%	0.719	68%	0.68	S	S	*	*	H	α-helix	trans	-58.8	-17.1	178.3	0	0	0	0	0	113.9
11	G	52.7	Low	46.9	Very low	43 Å²	43	115.4 Å²	115.4	44%	0.443	67%	0.671	S	S	.	*	H	α-helix	trans	-70.9	-33.9	175.6	0	0	0	0	0	113.7	S9 L13 L14 E15	S9-G11 PolarHBondContact O-N 3.44Å; G11-L13 PolarHBondContact O-N 2.96Å; G11-L14 PolarHBondContact O-N 2.98Å; G11-E15 PolarHBondContact O-N 2.8Å
12	A	51.8	Low	47.2	Very low	46 Å²	46	112.5 Å²	112.5	38%	0.38	64%	0.642	S	S	.	*	H	α-helix	trans	-72.7	-29.1	-178.5	0	0	0	0	0	113	S9	S9-A12 PolarHBondContact O-N 3.09Å; S9-A12 VanDerWaalsContact O-N 3.11Å
13	L	50.3	Low	47.8	Very low	117 Å²	117	108 Å²	108	61%	0.613	62%	0.623	S	S	*	*	H	α-helix	trans	-74.4	-30	174.2	-85.8	153.8	0	0	0	112.3	G11 C17	G11-L13 PolarHBondContact O-N 2.96Å; L13-C17 PolarHBondContact O-N 3.44Å; L13-C17 PolarHBondContact O-SG 3.45Å
14	L	51.3	Low	48.6	Very low	115 Å²	115	103.2 Å²	103.2	60%	0.602	61%	0.606	S	S	*	*	H	α-helix	trans	-74.8	-38.4	179.7	-160	74.2	0	0	0	112.2	G11 L16 C17 I18	G11-L14 PolarHBondContact O-N 2.98Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 2.94Å; L14-C17 PolarHBondContact O-N 3.31Å; L14-I18 HydrophobicContact CG-CD1 4.43Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.25Å; L14-I18 VanDerWaalsContact O-N 3.14Å
15	E	51.3	Low	49.1	Very low	136 Å²	136	100.3 Å²	100.3	64%	0.636	59%	0.594	S	S	*	*	H	α-helix	trans	-65.3	-35	174.7	-81	-173.7	156.3	0	0	112.8	G11 I18 N19	G11-E15 PolarHBondContact O-N 2.8Å; E15-I18 PolarHBondContact O-N 2.97Å; E15-N19 PolarHBondContact O-N 3.04Å; E15-N19 VanDerWaalsContact O-N 3.08Å; E15-N19 PolarHBondContact O-ND2 2.78Å
16	L	51.8	Low	49.5	Very low	124 Å²	124	96.4 Å²	96.4	65%	0.649	58%	0.583	S	S	*	*	H	α-helix	trans	-68	-36	177.1	-127	123.5	0	0	0	112	L14 T20	L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 2.94Å; L16-T20 WeakPolarHBondContact O-CB 3.46Å; L16-T20 PolarHBondContact O-N 3.15Å; L16-T20 PolarHBondContact O-OG1 2.87Å
17	C	50.9	Low	49.6	Very low	76 Å²	76	93.6 Å²	93.6	51%	0.514	58%	0.575	S	S	.	*	H	α-helix	trans	-69.3	-39.3	175	-73	0	0	0	0	112.5	L13 L14 I21	L13-C17 PolarHBondContact O-N 3.44Å; L13-C17 PolarHBondContact O-SG 3.45Å; L14-C17 PolarHBondContact O-N 3.31Å; C17-I21 WeakPolarHBondContact O-CD1 3.37Å; C17-I21 VanDerWaalsContact O-CG1 3.29Å; C17-I21 WeakPolarHBondContact O-CG1 3.39Å; C17-I21 PolarHBondContact O-N 3.34Å
18	I	57.3	Low	49.7	Very low	92 Å²	92	94.9 Å²	94.9	47%	0.472	57%	0.567	S	S	.	*	H	α-helix	trans	-69.5	-42.3	179.6	-66.7	168.4	0	0	0	111.2	L14 E15 T20 I21 L22	L14-I18 HydrophobicContact CG-CD1 4.43Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.25Å; L14-I18 VanDerWaalsContact O-N 3.14Å; E15-I18 PolarHBondContact O-N 2.97Å; I18-T20 VanDerWaalsContact C-N 3.34Å; I18-T20 PolarHBondContact O-N 3.31Å; I18-I21 PolarHBondContact O-N 2.81Å; I18-L22 HydrophobicContact CG2-CD1 3.93Å; I18-L22 WeakPolarHBondContact O-CG 3.48Å; I18-L22 PolarHBondContact O-N 3.42Å
19	N	50.1	Low	49.2	Very low	108 Å²	108	97.4 Å²	97.4	58%	0.578	57%	0.569	S	S	*	*	H	α-helix	trans	-67.9	-33.5	178.9	-75.9	-32.4	0	0	0	112.8	E15 S23	E15-N19 PolarHBondContact O-N 3.04Å; E15-N19 VanDerWaalsContact O-N 3.08Å; E15-N19 PolarHBondContact O-ND2 2.78Å; N19-S23 PolarHBondContact O-N 2.8Å; N19-S23 VanDerWaalsContact O-N 3.15Å
20	T	50.7	Low	48.2	Very low	73 Å²	73	98.7 Å²	98.7	45%	0.448	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-40.9	175.8	-52.6	0	0	0	0	111.1	L16 I18 S23 I24	L16-T20 WeakPolarHBondContact O-CB 3.46Å; L16-T20 PolarHBondContact O-N 3.15Å; L16-T20 PolarHBondContact O-OG1 2.87Å; I18-T20 VanDerWaalsContact C-N 3.34Å; I18-T20 PolarHBondContact O-N 3.31Å; T20-S23 PolarHBondContact O-N 3.3Å; T20-S23 PolarHBondContact O-OG 3.21Å; T20-I24 HydrophobicContact CG2-CD1 4.34Å; T20-I24 WeakPolarHBondContact O-CG1 3.29Å; T20-I24 PolarHBondContact O-N 3.46Å
21	I	51.3	Low	47.5	Very low	98 Å²	98	103.9 Å²	103.9	50%	0.503	58%	0.584	S	S	.	*	H	α-helix	trans	-66.7	-42	177.5	-68.1	168.6	0	0	0	111.3	C17 I18 S23 I24 F25	C17-I21 WeakPolarHBondContact O-CD1 3.37Å; C17-I21 VanDerWaalsContact O-CG1 3.29Å; C17-I21 WeakPolarHBondContact O-CG1 3.39Å; C17-I21 PolarHBondContact O-N 3.34Å; I18-I21 PolarHBondContact O-N 2.81Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3.48Å; I21-I24 PolarHBondContact O-N 3.08Å; I21-F25 HydrophobicContact CG2-CD2 3.98Å; I21-F25 HydrophobicContact CG2-CE2 4Å; I21-F25 WeakPolarHBondContact O-CD2 3.49Å; I21-F25 PolarHBondContact O-N 2.74Å
22	L	47.4	Very low	46.8	Very low	111 Å²	111	107.2 Å²	107.2	58%	0.581	60%	0.595	S	S	*	*	H	α-helix	trans	-66.5	-32.5	178.2	-72.6	168.7	0	0	0	113.1	I18 S26	I18-L22 HydrophobicContact CG2-CD1 3.93Å; I18-L22 WeakPolarHBondContact O-CG 3.48Å; I18-L22 PolarHBondContact O-N 3.42Å; L22-S26 PolarHBondContact O-N 3.42Å
23	S	48.9	Very low	45.8	Very low	68 Å²	68	113.7 Å²	113.7	48%	0.476	62%	0.615	S	S	.	*	H	α-helix	trans	-67.5	-36.3	175.8	76.7	0	0	0	0	112.8	N19 T20 I21 S26	N19-S23 PolarHBondContact O-N 2.8Å; N19-S23 VanDerWaalsContact O-N 3.15Å; T20-S23 PolarHBondContact O-N 3.3Å; T20-S23 PolarHBondContact O-OG 3.21Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3.48Å; S23-S26 PolarHBondContact O-N 3.43Å; S23-S26 PolarHBondContact O-OG 3.35Å
24	I	49.3	Very low	44.8	Very low	107 Å²	107	113.7 Å²	113.7	55%	0.549	63%	0.625	S	S	.	*	H	α-helix	trans	-71.5	-36.8	179.7	-65.4	167.9	0	0	0	111.1	T20 I21 G27	T20-I24 HydrophobicContact CG2-CD1 4.34Å; T20-I24 WeakPolarHBondContact O-CG1 3.29Å; T20-I24 PolarHBondContact O-N 3.46Å; I21-I24 PolarHBondContact O-N 3.08Å; I24-G27 PolarHBondContact O-N 3.19Å
25	F	44	Very low	43.6	Very low	141 Å²	141	119.3 Å²	119.3	62%	0.618	64%	0.638	S	S	*	*	H	α-helix	trans	-72.1	-26.3	177.2	-85.5	-80.1	0	0	0	113.7	I21	I21-F25 HydrophobicContact CG2-CD2 3.98Å; I21-F25 HydrophobicContact CG2-CE2 4Å; I21-F25 WeakPolarHBondContact O-CD2 3.49Å; I21-F25 PolarHBondContact O-N 2.74Å
26	S	44.3	Very low	42.6	Very low	88 Å²	88	118.4 Å²	118.4	62%	0.615	65%	0.647	S	S	*	*	H	α-helix	trans	-73.9	-24.5	175.6	74.9	0	0	0	0	114	L22 S23	L22-S26 PolarHBondContact O-N 3.42Å; S23-S26 PolarHBondContact O-N 3.43Å; S23-S26 PolarHBondContact O-OG 3.35Å
27	G	44.5	Very low	41.4	Very low	57 Å²	57	122.7 Å²	122.7	59%	0.588	66%	0.661	S	S	*	*	H	α-helix	trans	-83.3	-17.2	-178.5	0	0	0	0	0	115.3	I24	I24-G27 PolarHBondContact O-N 3.19Å
28	V	42.5	Very low	40.2	Very low	105 Å²	105	122.8 Å²	122.8	64%	0.636	67%	0.674	S	S	*	*	H	α-helix	trans	-93.9	-22.7	-173.9	179.4	0	0	0	0	112.8
29	F	35.5	Very low	38.8	Very low	174 Å²	174	123.3 Å²	123.3	76%	0.763	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-90	-4.4	180	-94.5	-87.2	0	0	0	115.4
30	S	36.2	Very low	37.6	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-85.3	-2.1	-179.8	177.4	0	0	0	0	114.6
31	K	34.8	Very low	36.5	Very low	197 Å²	197	125.1 Å²	125.1	86%	0.857	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-115.9	7.8	-175.6	-103.7	178.7	-179.7	176.2	0	115.8
32	V	38.6	Very low	35.3	Very low	112 Å²	112	125.2 Å²	125.2	68%	0.679	74%	0.742	S	S	*	*	S	Bend	trans	-133.2	74.4	174.3	-173.7	0	0	0	0	108.4
33	F	31.4	Very low	34.4	Very low	182 Å²	182	126.7 Å²	126.7	80%	0.798	76%	0.756	S	S	*	*			trans	179.9	90	152.8	-106.5	-75.3	0	0	0	108.5	W35	F33-W35 HydrophobicContact CE1-CE3 4.1Å; F33-W35 HydrophobicContact CE1-CZ3 4.47Å
34	S	28.5	Very low	33.4	Very low	117 Å²	117	131.6 Å²	131.6	82%	0.818	78%	0.777	S	S	*	*			trans	-134.9	69.9	165.3	165.1	0	0	0	0	107.4
35	W	26.2	Very low	32.4	Very low	233 Å²	233	131.9 Å²	131.9	88%	0.883	79%	0.789	S	S	*	*			trans	-84.3	109.8	160.6	-100.8	-16.7	0	0	0	107.8	F33	F33-W35 HydrophobicContact CE1-CE3 4.1Å; F33-W35 HydrophobicContact CE1-CZ3 4.47Å
36	S	29.6	Very low	31.9	Very low	118 Å²	118	133.1 Å²	133.1	83%	0.825	80%	0.801	S	S	*	*			trans	-81.7	114.5	168.3	41.6	0	0	0	0	109.9
37	K	26.8	Very low	31.2	Very low	214 Å²	214	136.9 Å²	136.9	93%	0.93	81%	0.813	S	S	*	*			trans	-87.5	143.4	158.6	-89.3	-176.7	173.4	178.4	0	109.6
38	G	27.4	Very low	30.7	Very low	78 Å²	78	138.6 Å²	138.6	80%	0.804	82%	0.816	S	S	*	*			trans	139.5	129.6	161.4	0	0	0	0	0	110.8
39	A	27.2	Very low	30.2	Very low	102 Å²	102	141.4 Å²	141.4	84%	0.843	83%	0.828	S	S	*	*			cis	-161.1	162.6	4.9	0	0	0	0	0	108.7
40	C	25.4	Very low	30.3	Very low	142 Å²	142	137.8 Å²	137.8	96%	0.959	83%	0.83	S	S	*	*			trans	-64.7	143.6	177.3	-81.4	0	0	0	0	113.6
41	G	26.2	Very low	30	Very low	77 Å²	77	139.2 Å²	139.2	79%	0.794	83%	0.829	S	S	*	*			trans	-170.3	104.5	162.1	0	0	0	0	0	109.7
42	A	27.7	Very low	29.8	Very low	100 Å²	100	135.2 Å²	135.2	83%	0.826	83%	0.826	S	S	*	*			trans	-82.3	133.7	-179.3	0	0	0	0	0	111.5
43	T	27.8	Very low	29.5	Very low	142 Å²	142	137.5 Å²	137.5	87%	0.871	83%	0.829	S	S	*	*			trans	-162.1	127.3	144.2	37.6	0	0	0	0	109.7
44	N	28.1	Very low	29.5	Very low	172 Å²	172	133.3 Å²	133.3	92%	0.92	82%	0.823	S	S	*	*			trans	-63.4	130.4	169.9	-78.7	-27.1	0	0	0	111
45	S	28.8	Very low	29.7	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	83%	0.826	S	S	*	*			trans	-163.4	126	136	61.5	0	0	0	0	110.6
46	L	32.3	Very low	30	Very low	167 Å²	167	134 Å²	134	87%	0.874	82%	0.822	S	S	*	*			trans	-33.4	133.2	160.6	-65.7	148.1	0	0	0	111.9
47	L	30.8	Very low	30.4	Very low	166 Å²	166	132.8 Å²	132.8	87%	0.869	81%	0.814	S	S	*	*			trans	-170.2	131	130.5	-95.3	158	0	0	0	108.8
48	S	32.4	Very low	30.9	Very low	93 Å²	93	131.9 Å²	131.9	65%	0.65	81%	0.81	S	S	*	*			trans	-49.1	136.2	171.3	48.8	0	0	0	0	112.1
49	D	31.8	Very low	31.6	Very low	165 Å²	165	135.2 Å²	135.2	88%	0.882	81%	0.81	S	S	*	*			trans	-151	124.5	138.5	-92.4	-33.3	0	0	0	110.7	N51	D49-N51 PolarHBondContact O-N 3.3Å
50	A	38.3	Very low	32.6	Very low	98 Å²	98	137.4 Å²	137.4	81%	0.81	81%	0.807	S	S	*	*			trans	-66.5	122.2	178.1	0	0	0	0	0	109.6
51	N	29.7	Very low	34.2	Very low	136 Å²	136	137.9 Å²	137.9	73%	0.727	80%	0.799	S	S	*	*			trans	-142.6	74.8	158.3	-146	5.2	0	0	0	108.8	D49 Q53	D49-N51 PolarHBondContact O-N 3.3Å; N51-Q53 PolarHBondContact O-N 3.32Å
52	S	31.2	Very low	36.3	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	78%	0.782	S	S	*	*			trans	-70	85.6	163.9	57.1	0	0	0	0	107.8	S54	S52-S54 VanDerWaalsContact C-N 3.28Å; S52-S54 PolarHBondContact O-N 3.14Å
53	Q	31.7	Very low	39.1	Very low	160 Å²	160	134.7 Å²	134.7	75%	0.748	75%	0.754	S	S	*	*			trans	-67.7	97.3	160.9	-73.3	-174.3	-11.2	0	0	106.7	N51 E55	N51-Q53 PolarHBondContact O-N 3.32Å; Q53-E55 PolarHBondContact O-N 3.5Å; Q53-E55 VanDerWaalsContact O-N 3.09Å
54	S	31.4	Very low	42.2	Very low	95 Å²	95	130.9 Å²	130.9	66%	0.664	73%	0.731	S	S	*	*			trans	-55.4	111.7	162.2	54.1	0	0	0	0	107.5	S52 Q56	S52-S54 VanDerWaalsContact C-N 3.28Å; S52-S54 PolarHBondContact O-N 3.14Å; S54-Q56 PolarHBondContact O-N 3.36Å
55	E	32.9	Very low	45.4	Very low	192 Å²	192	122.8 Å²	122.8	90%	0.897	69%	0.687	S	S	*	*			trans	-58.3	90.9	160.1	-71.2	-178.5	156.1	0	0	107.1	Q53 S57	Q53-E55 PolarHBondContact O-N 3.5Å; Q53-E55 VanDerWaalsContact O-N 3.09Å; E55-S57 PolarHBondContact O-N 3.35Å
56	Q	33.6	Very low	48.5	Very low	171 Å²	171	118.5 Å²	118.5	80%	0.799	66%	0.657	S	S	*	*			trans	-65.8	95.2	160	-84.5	179	-19.2	0	0	105.6	S54 K58	S54-Q56 PolarHBondContact O-N 3.36Å; Q56-K58 PolarHBondContact O-N 3.36Å
57	S	37.7	Very low	51.6	Low	94 Å²	94	111.2 Å²	111.2	66%	0.657	62%	0.62	S	S	*	*			trans	-48.1	111.7	155.3	51.8	0	0	0	0	106.2	E55 D59	E55-S57 PolarHBondContact O-N 3.35Å; S57-D59 PolarHBondContact O-N 3.09Å
58	K	37.4	Very low	54.9	Low	195 Å²	195	103.3 Å²	103.3	85%	0.848	58%	0.578	S	S	*	*			trans	-58.7	97.7	160.5	-80.2	-179.7	175.9	178.6	0	104.7	Q56 L60	Q56-K58 PolarHBondContact O-N 3.36Å; K58-L60 PolarHBondContact O-N 3.44Å
59	D	41.1	Very low	58	Low	148 Å²	148	99.6 Å²	99.6	79%	0.791	55%	0.551	S	S	*	*			trans	-55.1	96.9	156.6	-88.1	-28.3	0	0	0	104.5	S57 D61	S57-D59 PolarHBondContact O-N 3.09Å; D59-D61 VanDerWaalsContact C-N 3.33Å; D59-D61 PolarHBondContact O-N 3Å
60	L	48.6	Very low	61.2	Low	148 Å²	148	91.8 Å²	91.8	78%	0.775	51%	0.509	S	S	*	.			trans	-55.2	109.9	160.8	-82.5	155.7	0	0	0	103.6	K58 V62	K58-L60 PolarHBondContact O-N 3.44Å; L60-V62 VanDerWaalsContact C-N 3.28Å; L60-V62 WeakPolarHBondContact O-CG2 3.46Å; L60-V62 PolarHBondContact O-N 3.2Å
61	D	58	Low	64.1	Low	151 Å²	151	87.6 Å²	87.6	81%	0.807	47%	0.473	S	S	*	.			trans	-52.8	96.8	176.6	-162.7	13	0	0	0	107.4	D59 T63	D59-D61 VanDerWaalsContact C-N 3.33Å; D59-D61 PolarHBondContact O-N 3Å; D61-T63 PolarHBondContact O-N 3Å
62	V	71.8	Confident	67.3	Low	70 Å²	70	81.1 Å²	81.1	42%	0.424	44%	0.439	S	S	.	.			trans	-76.5	112.6	-170.8	-178.7	0	0	0	0	106	L60 T64 K323	L60-V62 VanDerWaalsContact C-N 3.28Å; L60-V62 WeakPolarHBondContact O-CG2 3.46Å; L60-V62 PolarHBondContact O-N 3.2Å; V62-T64 PolarHBondContact O-N 3.15Å; V62-K323 HydrophobicContact CG1-CG 4.18Å
63	T	86.6	Confident	70.5	Confident	40 Å²	40	75.9 Å²	75.9	25%	0.245	40%	0.402	C	S	.	.			trans	-48.3	117.8	175.9	-56.6	0	0	0	0	110.3	D61 I326 F331	D61-T63 PolarHBondContact O-N 3Å; T63-I326 HydrophobicContact CG2-CD1 3.79Å; T63-I326 HydrophobicContact CG2-CG1 4.19Å; T63-F331 HydrophobicContact CG2-CD1 3.52Å; T63-F331 HydrophobicContact CG2-CE1 4.15Å; T63-F331 HydrophobicContact CG2-CG 4.44Å
64	T	92.5	Very high	73.7	Confident	62 Å²	62	68.9 Å²	68.9	38%	0.38	37%	0.368	S	S	.	.			trans	-87.2	124.7	175.4	-62.9	0	0	0	0	108.9	V62 T66	V62-T64 PolarHBondContact O-N 3.15Å; T64-T66 PolarHBondContact O-N 3.31Å
65	P	94.1	Very high	76.9	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.013	36%	0.356	C	S	.	.			trans	-76.8	57.2	-178.8	32.9	-37.6	0	0	0	112.8	S67 V68 A108 M110 L295 V322 I326	P65-S67 VanDerWaalsContact C-N 3.26Å; P65-S67 PolarHBondContact O-N 3.05Å; P65-V68 HydrophobicContact CB-CG2 3.75Å; P65-V68 WeakPolarHBondContact O-CG2 3.41Å; P65-A108 WeakPolarHBondContact CD-O 3.38Å; P65-A108 HydrophobicContact CG-CB 3.94Å; P65-M110 WeakPolarHBondContact O-CA 3.14Å; P65-M110 WeakPolarHBondContact O-CB 3.37Å; P65-L295 HydrophobicContact CB-CD1 3.86Å; P65-V322 HydrophobicContact CG-CG1 4.14Å; P65-I326 HydrophobicContact CB-CD1 3.81Å; P65-I326 HydrophobicContact CG-CD1 4.33Å
66	T	95.7	Very high	79.9	Confident	23 Å²	23	62.1 Å²	62.1	14%	0.141	33%	0.33	C	S	.	.	S	Bend	trans	-56.1	-39.1	-173.3	-51.9	0	0	0	0	112.7	T64 E111 K112 W345	T64-T66 PolarHBondContact O-N 3.31Å; T66-E111 HydrophobicContact CG2-CB 4.05Å; T66-E111 HydrophobicContact CG2-CG 4.13Å; T66-E111 PolarHBondContact O-N 3.39Å; T66-K112 PolarHBondContact O-N 2.99Å; T66-W345 HydrophobicContact CG2-CH2 3.86Å; T66-W345 HydrophobicContact CG2-CZ2 4.38Å
67	S	97.5	Very high	83	Confident	14 Å²	14	55.4 Å²	55.4	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	113.8	179.9	-176	0	0	0	0	111.2	P65 K112	P65-S67 VanDerWaalsContact C-N 3.26Å; P65-S67 PolarHBondContact O-N 3.05Å; S67-K112 WeakPolarHBondContact CA-O 3.37Å
68	V	98.3	Very high	85.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.2	-174.2	-176.5	0	0	0	0	110.9	P65 L105 M110 K112 I113 N114 L295 L297	P65-V68 HydrophobicContact CB-CG2 3.75Å; P65-V68 WeakPolarHBondContact O-CG2 3.41Å; V68-L105 HydrophobicContact CG1-CD1 4.36Å; V68-L105 HydrophobicContact CG2-CD2 4.41Å; V68-M110 HydrophobicContact CB-SD 3.96Å; V68-M110 HydrophobicContact CG2-CG 4.17Å; V68-M110 HydrophobicContact CG2-SD 3.93Å; V68-K112 PolarHBondContact N-O 2.76Å; V68-I113 HydrophobicContact CB-CD1 4.11Å; V68-I113 HydrophobicContact CG1-CD1 4.32Å; V68-I113 CarbonylContact O-C 3.55Å; V68-N114 PolarHBondContact O-N 3.18Å; V68-L295 HydrophobicContact CG2-CB 4.48Å; V68-L295 HydrophobicContact CG2-CD1 4.48Å; V68-L297 HydrophobicContact CG1-CB 4.44Å; V68-L297 HydrophobicContact CG1-CD1 3.61Å; V68-L297 HydrophobicContact CG1-CG 3.84Å
69	N	98.5	Very high	88.6	Confident	16 Å²	16	50 Å²	50	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.6	172.9	-63.5	-97.1	0	0	0	108.3	N114 Y294 L295 I296 L297	N69-N114 CarbonylContact C-O 3.57Å; N69-N114 WeakPolarHBondContact CA-O 3.5Å; N69-N114 WeakPolarHBondContact OD1-CB 3.45Å; N69-N114 PolarHBondContact OD1-ND2 3.06Å; N69-Y294 WeakPolarHBondContact ND2-CD1 3.47Å; N69-L295 PolarHBondContact N-O 3.45Å; N69-L295 PolarHBondContact ND2-O 3.02Å; N69-I296 CarbonylContact O-C 3.59Å; N69-I296 WeakPolarHBondContact O-CA 3.44Å; N69-L297 PolarHBondContact O-N 3.45Å
70	Y	98.8	Very high	91.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	108.1	179.4	179.4	-149.2	0	0	0	110.6	F72 A98 L102 N114 F115 S116 M132 L297 D298 M301	Y70-F72 HydrophobicContact CD1-CB 3.98Å; Y70-F72 HydrophobicContact CD2-CB 4.12Å; Y70-F72 HydrophobicContact CE1-CB 3.48Å; Y70-F72 VanDerWaalsContact CE1-CB 3.48Å; Y70-F72 HydrophobicContact CE1-CG 4.5Å; Y70-F72 HydrophobicContact CE2-CB 3.64Å; Y70-F72 HydrophobicContact CG-CB 4.27Å; Y70-F72 PolarHBondContact O-N 3.11Å; Y70-A98 HydrophobicContact CE1-CB 4.43Å; Y70-L102 HydrophobicContact CD1-CD2 4.49Å; Y70-N114 PolarHBondContact N-O 3.27Å; Y70-F115 AromaticContact CD1-CD1 3.99Å; Y70-F115 HydrophobicContact CD1-CD1 3.99Å; Y70-F115 AromaticContact CD1-CE1 3.82Å; Y70-F115 HydrophobicContact CD1-CE1 3.82Å; Y70-S116 PolarHBondContact O-N 3.11Å; Y70-M132 HydrophobicContact CE1-SD 4.03Å; Y70-L297 HydrophobicContact CD2-CB 3.97Å; Y70-D298 VanDerWaalsContact CE2-O 3.3Å; Y70-D298 WeakPolarHBondContact CE2-O 3.3Å; Y70-M301 HydrophobicContact CD1-CE 4.2Å; Y70-M301 HydrophobicContact CD2-CG 4.44Å; Y70-M301 HydrophobicContact CE1-CE 3.58Å; Y70-M301 HydrophobicContact CE2-CE 4.09Å; Y70-M301 HydrophobicContact CE2-CG 3.71Å
71	H	98.6	Very high	93.6	Very high	11 Å²	11	37 Å²	37	5%	0.051	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	70.1	177.1	-70.7	-140.6	0	0	0	109.6	T73 H85 L297 D298 E299	H71-T73 PolarHBondContact O-N 2.72Å; H71-T73 VanDerWaalsContact O-N 3.09Å; H71-H85 WeakPolarHBondContact CB-NE2 3.48Å; H71-H85 AromaticContact CG-CE1 3.9Å; H71-H85 AromaticContact CG-NE2 3.72Å; H71-H85 AromaticContact ND1-CD2 3.26Å; H71-H85 PolarHBondContact ND1-CD2 3.44Å; H71-H85 VanDerWaalsContact ND1-CD2 3.26Å; H71-H85 AromaticContact ND1-CE1 3.36Å; H71-H85 PolarHBondContact ND1-CE1 3.01Å; H71-H85 AromaticContact ND1-CG 3.34Å; H71-H85 VanDerWaalsContact ND1-CG 3.34Å; H71-H85 AromaticContact ND1-ND1 3.43Å; H71-H85 PolarHBondContact ND1-ND1 3.11Å; H71-H85 AromaticContact ND1-NE2 3.26Å; H71-H85 PolarHBondContact ND1-NE2 3.15Å; H71-L297 WeakPolarHBondContact CB-O 2.94Å; H71-L297 PolarHBondContact N-O 3.19Å; H71-D298 CarbonylContact O-C 3.56Å; H71-E299 WeakPolarHBondContact O-CA 3.47Å; H71-E299 PolarHBondContact O-N 3.43Å
72	F	98.5	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.			trans	-70.1	-7.7	-169.8	68	-89.8	0	0	0	115.1	Y70 V92 F115 P120 H123 F128 L129 M132	Y70-F72 HydrophobicContact CD1-CB 3.98Å; Y70-F72 HydrophobicContact CD2-CB 4.12Å; Y70-F72 HydrophobicContact CE1-CB 3.48Å; Y70-F72 VanDerWaalsContact CE1-CB 3.48Å; Y70-F72 HydrophobicContact CE1-CG 4.5Å; Y70-F72 HydrophobicContact CE2-CB 3.64Å; Y70-F72 HydrophobicContact CG-CB 4.27Å; Y70-F72 PolarHBondContact O-N 3.11Å; F72-V92 HydrophobicContact CD2-CG1 4.21Å; F72-F115 HydrophobicContact CD1-CD1 4.16Å; F72-F115 HydrophobicContact CE1-CB 4.19Å; F72-F115 HydrophobicContact CE1-CD1 4.41Å; F72-P120 HydrophobicContact CE1-CB 3.75Å; F72-P120 HydrophobicContact CE1-CG 4.24Å; F72-P120 HydrophobicContact CZ-CB 3.71Å; F72-P120 WeakPolarHBondContact CZ-O 3.49Å; F72-H123 HydrophobicContact CE2-CB 4.43Å; F72-F128 HydrophobicContact CD2-CD1 4.15Å; F72-F128 AromaticContact CD2-CE1 3.91Å; F72-F128 HydrophobicContact CD2-CE1 3.91Å; F72-F128 HydrophobicContact CE2-CD1 4.03Å; F72-F128 HydrophobicContact CE2-CE1 4.26Å; F72-L129 HydrophobicContact CE1-CD1 3.92Å; F72-L129 HydrophobicContact CZ-CB 4.28Å; F72-L129 HydrophobicContact CZ-CD1 4.12Å; F72-M132 HydrophobicContact CD1-CE 3.92Å; F72-M132 HydrophobicContact CD2-CE 4.11Å; F72-M132 HydrophobicContact CE1-CE 4.04Å; F72-M132 HydrophobicContact CE2-CE 4.22Å; F72-M132 HydrophobicContact CG-CE 3.95Å; F72-M132 HydrophobicContact CZ-CE 4.16Å
73	T	98.3	Very high	96.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.153	C	C	.	.			trans	-148.9	145	178	177.6	0	0	0	0	109.6	H71 K75 G117 G118	H71-T73 PolarHBondContact O-N 2.72Å; H71-T73 VanDerWaalsContact O-N 3.09Å; T73-K75 PolarHBondContact OG1-N 3.5Å; T73-K75 VanDerWaalsContact OG1-N 3.17Å; T73-G117 CarbonylContact O-C 3.57Å; T73-G117 VanDerWaalsContact O-CA 3.23Å; T73-G117 WeakPolarHBondContact O-CA 3.33Å; T73-G118 PolarHBondContact O-N 3.3Å
74	R	98.1	Very high	97	Very high	14 Å²	14	30.7 Å²	30.7	5%	0.053	16%	0.158	C	C	.	.			trans	-99.2	-7.2	171.1	-72.9	-176.7	170.2	-94.4	4	113.7	H85 T86 A87 E249 E299	R74-H85 VanDerWaalsContact CZ-CE1 3.47Å; R74-T86 WeakPolarHBondContact CB-O 3.37Å; R74-T86 WeakPolarHBondContact CD-O 3.43Å; R74-T86 PolarHBondContact NH1-O 3Å; R74-A87 VanDerWaalsContact O-CA 3.3Å; R74-A87 WeakPolarHBondContact O-CA 3.23Å; R74-A87 WeakPolarHBondContact O-CB 3.35Å; R74-E249 IonicContact CZ-OE1 2.62Å; R74-E249 IonicContact NH1-OE1 2.64Å; R74-E249 PolarHBondContact NH1-OE1 3.29Å; R74-E249 IonicContact NH1-OE2 2.93Å; R74-E249 PolarHBondContact NH1-OE2 3.21Å; R74-E249 IonicContact NH2-OE1 2.93Å; R74-E249 PolarHBondContact NH2-OE1 3.26Å; R74-E249 VanDerWaalsContact NH2-OE1 3.15Å; R74-E299 VanDerWaalsContact CD-OE1 3.28Å; R74-E299 WeakPolarHBondContact CD-OE1 3.4Å; R74-E299 WeakPolarHBondContact CD-OE2 3.44Å; R74-E299 IonicContact CZ-OE2 3.9Å; R74-E299 IonicContact NE-OE1 3.42Å; R74-E299 PolarHBondContact NE-OE1 3.28Å; R74-E299 IonicContact NE-OE2 3.71Å; R74-E299 PolarHBondContact NE-OE2 2.88Å
75	K	97.8	Very high	97.1	Very high	93 Å²	93	27.9 Å²	27.9	40%	0.404	14%	0.141	S	C	.	.			trans	-72.3	131	-179.9	-65.8	-176.3	-179.9	173.9	0	110.8	T73 G118 E119 L122	T73-K75 PolarHBondContact OG1-N 3.5Å; T73-K75 VanDerWaalsContact OG1-N 3.17Å; K75-G118 CarbonylContact O-C 3.5Å; K75-G118 WeakPolarHBondContact O-CA 3.47Å; K75-E119 PolarHBondContact O-N 3.38Å; K75-L122 HydrophobicContact CB-CD2 3.88Å
76	C	97.6	Very high	97.1	Very high	51 Å²	51	27.9 Å²	27.9	35%	0.345	14%	0.141	S	C	.	.			trans	-135.1	148.7	175.4	-168.3	0	0	0	0	110.3	Y78	C76-Y78 PolarHBondContact SG-N 3.06Å
77	N	96.8	Very high	97	Very high	31 Å²	31	29.4 Å²	29.4	17%	0.166	16%	0.156	C	C	.	.	S	Bend	trans	-98.6	-2.6	177	67	-50.3	0	0	0	113.5	E119 L122 N150 S152 Q188	N77-E119 WeakPolarHBondContact OD1-CG 3.4Å; N77-L122 HydrophobicContact CB-CD1 4.31Å; N77-N150 PolarHBondContact OD1-ND2 3.12Å; N77-S152 PolarHBondContact ND2-OG 3.23Å; N77-Q188 PolarHBondContact ND2-NE2 2.7Å
78	Y	97.2	Very high	96.7	Very high	11 Å²	11	33.6 Å²	33.6	4%	0.043	17%	0.172	C	C	.	.			trans	-101.3	167.8	169.9	-81.8	17.5	0	0	0	110.4	C76 N150 R186 C187 Q188 H193	C76-Y78 PolarHBondContact SG-N 3.06Å; Y78-N150 HydrophobicContact CD2-CB 3.86Å; Y78-N150 HydrophobicContact CE2-CB 3.87Å; Y78-N150 HydrophobicContact CG-CB 4.42Å; Y78-R186 HydrophobicContact CD2-CB 4.2Å; Y78-R186 HydrophobicContact CD2-CG 4.17Å; Y78-R186 VanDerWaalsContact CE2-C 3.49Å; Y78-R186 HydrophobicContact CE2-CB 4.15Å; Y78-R186 HydrophobicContact CE2-CG 4.41Å; Y78-C187 WeakPolarHBondContact CD1-O 3.16Å; Y78-Q188 HydrophobicContact CD1-CB 4.08Å; Y78-Q188 HydrophobicContact CE1-CB 3.64Å; Y78-H193 AromaticContact CE2-ND1 3.81Å; Y78-H193 AromaticContact CZ-ND1 3.95Å; Y78-H193 PolarHBondContact OH-ND1 3.04Å
79	K	96.6	Very high	96.5	Very high	163 Å²	163	35.5 Å²	35.5	71%	0.709	18%	0.184	S	C	*	.			trans	-128.7	36.9	-177	-61.5	-176.4	-177.9	179.8	0	112.4	G81 G185	K79-G81 PolarHBondContact O-N 3.39Å; K79-G185 CarbonylContact C-O 3.59Å; K79-G185 PolarHBondContact N-O 3.02Å
80	C	97.9	Very high	96.3	Very high	14 Å²	14	38.7 Å²	38.7	10%	0.095	21%	0.208	C	C	.	.			trans	-49.8	126.4	-178.7	-45.1	0	0	0	0	110.9	F82 C83 I184 G185 R186 R257	C80-F82 VanDerWaalsContact C-N 3.32Å; C80-F82 HydrophobicContact CB-CD2 4.46Å; C80-F82 HydrophobicContact CB-CE2 3.89Å; C80-F82 HydrophobicContact CB-CZ 4.02Å; C80-F82 PolarHBondContact O-N 3.44Å; C80-C83 HydrophobicContact CB-CB 4.32Å; C80-C83 VanDerWaalsContact O-CB 3.28Å; C80-C83 WeakPolarHBondContact O-CB 3.28Å; C80-C83 PolarHBondContact O-N 3.4Å; C80-I184 CarbonylContact C-O 3.53Å; C80-I184 VanDerWaalsContact CA-O 3.28Å; C80-I184 WeakPolarHBondContact CA-O 3.46Å; C80-G185 PolarHBondContact N-O 3.35Å; C80-R186 WeakPolarHBondContact SG-CG 3.26Å; C80-R257 WeakPolarHBondContact O-CD 3.44Å; C80-R257 PolarHBondContact O-NE 2.89Å
81	G	97.4	Very high	96.2	Very high	9 Å²	9	42 Å²	42	9%	0.093	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.5	-172.8	0	0	0	0	0	113.7	K79 I184 R257 F262	K79-G81 PolarHBondContact O-N 3.39Å; G81-I184 PolarHBondContact N-O 2.99Å; G81-R257 WeakPolarHBondContact O-CB 3.42Å; G81-F262 VanDerWaalsContact C-CE2 3.49Å; G81-F262 VanDerWaalsContact CA-CE2 3.47Å
82	F	97.4	Very high	96.2	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.066	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	7.2	175.4	53	-111.3	0	0	0	114.4	C80 F84 D174 I184 V216 N218 N250 A259 F262	C80-F82 VanDerWaalsContact C-N 3.32Å; C80-F82 HydrophobicContact CB-CD2 4.46Å; C80-F82 HydrophobicContact CB-CE2 3.89Å; C80-F82 HydrophobicContact CB-CZ 4.02Å; C80-F82 PolarHBondContact O-N 3.44Å; F82-F84 PolarHBondContact O-N 2.89Å; F82-D174 WeakPolarHBondContact CZ-OD2 3.24Å; F82-I184 HydrophobicContact CD1-CG2 4.39Å; F82-I184 HydrophobicContact CE1-CB 4.36Å; F82-I184 HydrophobicContact CE1-CG1 4.28Å; F82-I184 HydrophobicContact CE1-CG2 3.3Å; F82-I184 HydrophobicContact CZ-CG2 3.48Å; F82-I184 VanDerWaalsContact CZ-CG2 3.48Å; F82-V216 HydrophobicContact CD1-CG1 4.48Å; F82-V216 HydrophobicContact CD2-CB 4.48Å; F82-V216 HydrophobicContact CD2-CG1 4.19Å; F82-V216 HydrophobicContact CE2-CB 4.15Å; F82-V216 HydrophobicContact CE2-CG1 4.35Å; F82-V216 HydrophobicContact CE2-CG2 4.15Å; F82-V216 HydrophobicContact CG-CG1 4.34Å; F82-V216 HydrophobicContact CZ-CB 4.28Å; F82-N218 HydrophobicContact CD1-CB 4.39Å; F82-N250 PolarHBondContact O-ND2 3Å; F82-A259 HydrophobicContact CB-CB 4.18Å; F82-F262 HydrophobicContact CB-CB 4.06Å; F82-F262 HydrophobicContact CB-CD2 4.33Å; F82-F262 HydrophobicContact CB-CG 4.08Å; F82-F262 HydrophobicContact CD1-CB 4.27Å; F82-F262 AromaticContact CD1-CD1 3.56Å; F82-F262 HydrophobicContact CD1-CD1 3.56Å; F82-F262 AromaticContact CD1-CE1 3.98Å; F82-F262 HydrophobicContact CD1-CE1 3.98Å; F82-F262 AromaticContact CD1-CG 3.96Å; F82-F262 HydrophobicContact CD1-CG 3.96Å; F82-F262 HydrophobicContact CE1-CD1 4.27Å; F82-F262 HydrophobicContact CE1-CE1 4.43Å
83	C	97.1	Very high	96.2	Very high	32 Å²	32	43.3 Å²	43.3	22%	0.216	23%	0.23	C	C	.	.			trans	-56.6	111.9	-170.6	-179.3	0	0	0	0	112.1	C80 H85 T86 N250 R257	C80-C83 HydrophobicContact CB-CB 4.32Å; C80-C83 VanDerWaalsContact O-CB 3.28Å; C80-C83 WeakPolarHBondContact O-CB 3.28Å; C80-C83 PolarHBondContact O-N 3.4Å; C83-H85 VanDerWaalsContact C-N 3.31Å; C83-H85 PolarHBondContact O-N 3.23Å; C83-T86 WeakPolarHBondContact O-CG2 3.34Å; C83-N250 WeakPolarHBondContact O-CB 3.36Å; C83-R257 HydrophobicContact CB-CG 4.32Å
84	F	93.3	Very high	96.2	Very high	82 Å²	82	47.2 Å²	47.2	36%	0.36	26%	0.255	S	S	.	.	S	Bend	trans	-85.7	8.1	-176.5	69.8	-0.5	0	0	0	115	F82 L244 I246 E249 K311	F82-F84 PolarHBondContact O-N 2.89Å; F84-L244 HydrophobicContact CD2-CD2 4.48Å; F84-I246 HydrophobicContact CB-CB 4.5Å; F84-I246 HydrophobicContact CB-CG1 4.07Å; F84-E249 WeakPolarHBondContact O-CB 3.38Å; F84-E249 WeakPolarHBondContact O-CG 3.44Å; F84-K311 PolarHBondContact O-NZ 2.78Å
85	H	93.9	Very high	96.2	Very high	3 Å²	3	48 Å²	48	1%	0.014	26%	0.261	C	S	.	.	S	Bend	trans	-146.7	74.2	-176.3	-167.5	76.4	0	0	0	109	H71 R74 C83	H71-H85 WeakPolarHBondContact CB-NE2 3.48Å; H71-H85 AromaticContact CG-CE1 3.9Å; H71-H85 AromaticContact CG-NE2 3.72Å; H71-H85 AromaticContact ND1-CD2 3.26Å; H71-H85 PolarHBondContact ND1-CD2 3.44Å; H71-H85 VanDerWaalsContact ND1-CD2 3.26Å; H71-H85 AromaticContact ND1-CE1 3.36Å; H71-H85 PolarHBondContact ND1-CE1 3.01Å; H71-H85 AromaticContact ND1-CG 3.34Å; H71-H85 VanDerWaalsContact ND1-CG 3.34Å; H71-H85 AromaticContact ND1-ND1 3.43Å; H71-H85 PolarHBondContact ND1-ND1 3.11Å; H71-H85 AromaticContact ND1-NE2 3.26Å; H71-H85 PolarHBondContact ND1-NE2 3.15Å; R74-H85 VanDerWaalsContact CZ-CE1 3.47Å; C83-H85 VanDerWaalsContact C-N 3.31Å; C83-H85 PolarHBondContact O-N 3.23Å
86	T	93.4	Very high	96.2	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.018	27%	0.268	C	S	.	.			trans	-85.1	166.2	-163.8	63.1	0	0	0	0	112.5	R74 C83 K88 E249 L256 R257	R74-T86 WeakPolarHBondContact CB-O 3.37Å; R74-T86 WeakPolarHBondContact CD-O 3.43Å; R74-T86 PolarHBondContact NH1-O 3Å; C83-T86 WeakPolarHBondContact O-CG2 3.34Å; T86-K88 PolarHBondContact O-N 2.71Å; T86-K88 WeakPolarHBondContact OG1-CG 3.38Å; T86-E249 WeakPolarHBondContact CB-OE2 3.48Å; T86-E249 WeakPolarHBondContact CG2-O 3.42Å; T86-E249 PolarHBondContact N-OE2 3.21Å; T86-E249 PolarHBondContact OG1-OE2 2.86Å; T86-L256 HydrophobicContact CG2-CB 4.29Å; T86-R257 HydrophobicContact CG2-CB 4.34Å; T86-R257 HydrophobicContact CG2-CG 3.72Å
87	A	94.3	Very high	96.3	Very high	55 Å²	55	50.3 Å²	50.3	46%	0.455	27%	0.268	S	S	.	.			trans	-72.3	49.6	-177.9	0	0	0	0	0	113.8	R74 T89	R74-A87 VanDerWaalsContact O-CA 3.3Å; R74-A87 WeakPolarHBondContact O-CA 3.23Å; R74-A87 WeakPolarHBondContact O-CB 3.35Å; A87-T89 PolarHBondContact O-N 3.2Å
88	K	90.6	Very high	96.4	Very high	102 Å²	102	48.8 Å²	48.8	44%	0.443	26%	0.26	S	S	.	.	S	Bend	trans	-65.3	-25.7	178.7	-57.4	-172.7	70.9	160.9	0	112.9	T86 G248 L256	T86-K88 PolarHBondContact O-N 2.71Å; T86-K88 WeakPolarHBondContact OG1-CG 3.38Å; K88-G248 PolarHBondContact NZ-O 3.28Å; K88-L256 HydrophobicContact CG-CD1 4.23Å
89	T	94.6	Very high	96.4	Very high	39 Å²	39	50 Å²	50	24%	0.239	27%	0.265	C	S	.	.			trans	-137.1	164.7	179.1	78.6	0	0	0	0	110.7	A87 E299 Y300	A87-T89 PolarHBondContact O-N 3.2Å; T89-E299 VanDerWaalsContact CG2-OE1 3.26Å; T89-E299 WeakPolarHBondContact CG2-OE1 3.42Å; T89-E299 PolarHBondContact OG1-OE1 3.17Å; T89-Y300 HydrophobicContact CG2-CE2 4.42Å
90	S	93.8	Very high	96.6	Very high	84 Å²	84	46.1 Å²	46.1	59%	0.587	25%	0.248	S	C	*	.			trans	-111.4	4.8	173.6	63.3	0	0	0	0	113.1
91	F	97.4	Very high	96.6	Very high	70 Å²	70	45.5 Å²	45.5	31%	0.307	24%	0.244	S	C	.	.			trans	-72.2	144.1	-174.1	-178.5	-98.9	0	0	0	111.5	L93 E299 Y300	F91-L93 HydrophobicContact CE1-CD2 3.88Å; F91-L93 HydrophobicContact CE1-CG 3.83Å; F91-L93 HydrophobicContact CZ-CD2 3.76Å; F91-L93 HydrophobicContact CZ-CG 4.16Å; F91-E299 HydrophobicContact CB-CG 4.3Å; F91-E299 HydrophobicContact CD1-CB 4.37Å; F91-E299 HydrophobicContact CD1-CG 3.96Å; F91-E299 WeakPolarHBondContact CD1-O 3.17Å; F91-E299 WeakPolarHBondContact CE1-O 3.32Å; F91-Y300 HydrophobicContact CB-CE1 4.03Å; F91-Y300 WeakPolarHBondContact CB-OH 3.28Å; F91-Y300 AromaticContact CD1-CD1 3.44Å; F91-Y300 HydrophobicContact CD1-CD1 3.44Å; F91-Y300 VanDerWaalsContact CD1-CD1 3.44Å; F91-Y300 HydrophobicContact CD1-CD2 4.43Å; F91-Y300 AromaticContact CD1-CE1 3.21Å; F91-Y300 HydrophobicContact CD1-CE1 3.21Å; F91-Y300 HydrophobicContact CD1-CE2 4.26Å; F91-Y300 HydrophobicContact CD1-CG 4.05Å; F91-Y300 AromaticContact CD1-CZ 3.65Å; F91-Y300 AromaticContact CD2-CE1 3.9Å; F91-Y300 HydrophobicContact CD2-CE1 3.9Å; F91-Y300 AromaticContact CE1-CD1 3.28Å; F91-Y300 HydrophobicContact CE1-CD1 3.28Å; F91-Y300 AromaticContact CE1-CE1 3.46Å; F91-Y300 HydrophobicContact CE1-CE1 3.46Å; F91-Y300 VanDerWaalsContact CE1-CE1 3.46Å; F91-Y300 HydrophobicContact CE1-CG 4.04Å; F91-Y300 HydrophobicContact CE2-CE1 4.13Å; F91-Y300 HydrophobicContact CG-CD1 4.14Å; F91-Y300 AromaticContact CG-CE1 3.43Å; F91-Y300 HydrophobicContact CG-CE1 3.43Å; F91-Y300 VanDerWaalsContact CG-CE1 3.43Å; F91-Y300 AromaticContact CG-CZ 3.71Å; F91-Y300 AromaticContact CZ-CD1 3.89Å; F91-Y300 HydrophobicContact CZ-CD1 3.89Å; F91-Y300 AromaticContact CZ-CE1 3.92Å; F91-Y300 HydrophobicContact CZ-CE1 3.92Å
92	V	97.8	Very high	96.7	Very high	22 Å²	22	45 Å²	45	13%	0.133	24%	0.239	C	C	.	.			trans	-144.8	132.3	170.2	-179.5	0	0	0	0	105.9	F72 F128	F72-V92 HydrophobicContact CD2-CG1 4.21Å; V92-F128 HydrophobicContact CG1-CE1 3.96Å; V92-F128 HydrophobicContact CG1-CE2 4.47Å; V92-F128 HydrophobicContact CG1-CZ 3.92Å
93	L	98	Very high	96.7	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.084	26%	0.257	C	S	.	.			trans	-60.6	144.8	176.1	-81.8	169.5	0	0	0	111.5	F91 E97 A98 F128 M301 L318	F91-L93 HydrophobicContact CE1-CD2 3.88Å; F91-L93 HydrophobicContact CE1-CG 3.83Å; F91-L93 HydrophobicContact CZ-CD2 3.76Å; F91-L93 HydrophobicContact CZ-CG 4.16Å; L93-E97 HydrophobicContact CD2-CB 4.12Å; L93-A98 HydrophobicContact CB-CB 4.28Å; L93-F128 WeakPolarHBondContact O-CE2 3.41Å; L93-F128 VanDerWaalsContact O-CZ 3.25Å; L93-F128 WeakPolarHBondContact O-CZ 3.4Å; L93-M301 HydrophobicContact CD1-CB 4.33Å; L93-M301 HydrophobicContact CD1-CE 4.43Å; L93-M301 HydrophobicContact CD1-CG 3.53Å; L93-M301 HydrophobicContact CD1-SD 3.66Å; L93-L318 HydrophobicContact CD1-CD1 3.92Å; L93-L318 HydrophobicContact CD2-CD1 4.08Å
94	P	98.5	Very high	96.8	Very high	82 Å²	82	50.3 Å²	50.3	53%	0.532	26%	0.257	S	S	.	.			trans	-53.4	145.2	163.8	-23.4	34	0	0	0	110.7	E96 E97 A98	P94-E96 PolarHBondContact O-N 2.96Å; P94-E96 VanDerWaalsContact O-N 3.16Å; P94-E97 PolarHBondContact O-N 3.29Å; P94-A98 PolarHBondContact O-N 3.4Å
95	L	98.6	Very high	97.1	Very high	32 Å²	32	46.4 Å²	46.4	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-55	-41.2	-173	179.2	63.8	0	0	0	112.6	A98 K99 F128 K131 M132	L95-A98 PolarHBondContact O-N 2.93Å; L95-K99 HydrophobicContact CG-CD 4.48Å; L95-K99 WeakPolarHBondContact O-CG 3.11Å; L95-K99 PolarHBondContact O-N 3.24Å; L95-F128 HydrophobicContact CB-CD2 4.15Å; L95-F128 HydrophobicContact CB-CE2 3.7Å; L95-F128 HydrophobicContact CD1-CD2 4.15Å; L95-F128 HydrophobicContact CD1-CE2 3.97Å; L95-F128 HydrophobicContact CD1-CZ 4.31Å; L95-F128 HydrophobicContact CG-CE2 4.44Å; L95-K131 HydrophobicContact CD1-CB 4.13Å; L95-K131 HydrophobicContact CD2-CB 4Å; L95-K131 HydrophobicContact CD2-CD 3.49Å; L95-K131 VanDerWaalsContact CD2-CD 3.49Å; L95-K131 HydrophobicContact CD2-CG 4.36Å; L95-M132 HydrophobicContact CD1-CG 3.75Å
96	E	98.6	Very high	97.3	Very high	117 Å²	117	49.6 Å²	49.6	55%	0.547	25%	0.254	S	S	.	.	H	α-helix	trans	-70.2	-34.4	-178.2	-62	-53.1	129	0	0	112.7	P94 K99 K100	P94-E96 PolarHBondContact O-N 2.96Å; P94-E96 VanDerWaalsContact O-N 3.16Å; E96-K99 PolarHBondContact O-N 3Å; E96-K99 IonicContact OE1-NZ 3.68Å; E96-K99 PolarHBondContact OE1-NZ 2.98Å; E96-K99 IonicContact OE2-NZ 3.97Å; E96-K100 WeakPolarHBondContact O-CB 3.4Å; E96-K100 PolarHBondContact O-N 3.46Å
97	E	98.7	Very high	97.5	Very high	74 Å²	74	55.4 Å²	55.4	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-69.9	-38.8	172.1	-71.3	-57.2	127.5	0	0	111.4	L93 P94 K99 K100 G101 L318	L93-E97 HydrophobicContact CD2-CB 4.12Å; P94-E97 PolarHBondContact O-N 3.29Å; E97-K99 PolarHBondContact O-N 3.34Å; E97-K100 WeakPolarHBondContact O-CB 3.39Å; E97-K100 PolarHBondContact O-N 3.49Å; E97-K100 IonicContact OE2-NZ 3.39Å; E97-G101 PolarHBondContact O-N 3.43Å; E97-L318 HydrophobicContact CB-CD1 4.29Å
98	A	98.8	Very high	97.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-43.3	173.3	0	0	0	0	0	111.5	Y70 L93 P94 L95 K100 G101 L102 F128 M132 M301	Y70-A98 HydrophobicContact CE1-CB 4.43Å; L93-A98 HydrophobicContact CB-CB 4.28Å; P94-A98 PolarHBondContact O-N 3.4Å; L95-A98 PolarHBondContact O-N 2.93Å; A98-K100 PolarHBondContact O-N 3.26Å; A98-G101 PolarHBondContact O-N 2.88Å; A98-L102 VanDerWaalsContact O-CG 3.26Å; A98-L102 WeakPolarHBondContact O-CG 3.22Å; A98-L102 PolarHBondContact O-N 3.01Å; A98-F128 HydrophobicContact CB-CZ 4.31Å; A98-M132 HydrophobicContact CB-SD 4.07Å; A98-M301 HydrophobicContact CB-CE 4.23Å; A98-M301 WeakPolarHBondContact O-CE 3.14Å
99	K	98.8	Very high	98	Very high	37 Å²	37	51.1 Å²	51.1	16%	0.161	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-42.7	173.8	-74	178.3	-179.4	167.9	0	112.1	L95 E96 E97 G101 L102 R103 Y135	L95-K99 HydrophobicContact CG-CD 4.48Å; L95-K99 WeakPolarHBondContact O-CG 3.11Å; L95-K99 PolarHBondContact O-N 3.24Å; E96-K99 PolarHBondContact O-N 3Å; E96-K99 IonicContact OE1-NZ 3.68Å; E96-K99 PolarHBondContact OE1-NZ 2.98Å; E96-K99 IonicContact OE2-NZ 3.97Å; E97-K99 PolarHBondContact O-N 3.34Å; K99-G101 PolarHBondContact O-N 3.33Å; K99-L102 PolarHBondContact O-N 3.07Å; K99-R103 PolarHBondContact O-N 3.16Å; K99-Y135 HydrophobicContact CB-CD1 4.07Å; K99-Y135 HydrophobicContact CB-CE1 3.69Å; K99-Y135 HydrophobicContact CB-CE2 4.33Å; K99-Y135 HydrophobicContact CD-CD1 4.44Å; K99-Y135 HydrophobicContact CD-CD2 3.88Å; K99-Y135 HydrophobicContact CD-CE2 4.08Å; K99-Y135 HydrophobicContact CD-CG 4.09Å; K99-Y135 HydrophobicContact CG-CD1 3.7Å; K99-Y135 HydrophobicContact CG-CD2 4.05Å; K99-Y135 HydrophobicContact CG-CE1 3.87Å; K99-Y135 HydrophobicContact CG-CE2 4.25Å; K99-Y135 HydrophobicContact CG-CG 3.81Å; K99-Y135 WeakPolarHBondContact O-CE1 3.41Å
100	K	98.8	Very high	98.2	Very high	81 Å²	81	49.2 Å²	49.2	35%	0.352	26%	0.256	S	S	.	.	H	α-helix	trans	-56.8	-48.3	175.5	179.2	-175.5	168.7	-164.6	0	111.3	E96 E97 A98 R103 L104 L318	E96-K100 WeakPolarHBondContact O-CB 3.4Å; E96-K100 PolarHBondContact O-N 3.46Å; E97-K100 WeakPolarHBondContact O-CB 3.39Å; E97-K100 PolarHBondContact O-N 3.49Å; E97-K100 IonicContact OE2-NZ 3.39Å; A98-K100 PolarHBondContact O-N 3.26Å; K100-R103 WeakPolarHBondContact O-CB 3.5Å; K100-R103 PolarHBondContact O-N 2.93Å; K100-L104 WeakPolarHBondContact O-CG 3.49Å; K100-L104 PolarHBondContact O-N 3.49Å; K100-L318 HydrophobicContact CB-CD2 4.38Å; K100-L318 HydrophobicContact CD-CD2 4.19Å; K100-L318 HydrophobicContact CG-CD2 4.16Å
101	G	98.8	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-39	177.5	0	0	0	0	0	113.6	E97 A98 K99 R103 L104 L105	E97-G101 PolarHBondContact O-N 3.43Å; A98-G101 PolarHBondContact O-N 2.88Å; K99-G101 PolarHBondContact O-N 3.33Å; G101-R103 VanDerWaalsContact C-N 3.29Å; G101-R103 PolarHBondContact O-N 2.99Å; G101-L104 WeakPolarHBondContact O-CB 3.16Å; G101-L104 PolarHBondContact O-N 2.84Å; G101-L105 WeakPolarHBondContact O-CG 3.32Å; G101-L105 PolarHBondContact O-N 2.71Å
102	L	98.9	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-38.6	174.1	-71.5	165	0	0	0	112.1	Y70 A98 K99 L105 K106 I113 F115 M132 Y135 L140 M301	Y70-L102 HydrophobicContact CD1-CD2 4.49Å; A98-L102 VanDerWaalsContact O-CG 3.26Å; A98-L102 WeakPolarHBondContact O-CG 3.22Å; A98-L102 PolarHBondContact O-N 3.01Å; K99-L102 PolarHBondContact O-N 3.07Å; L102-L105 PolarHBondContact O-N 2.96Å; L102-K106 PolarHBondContact O-N 3.18Å; L102-I113 HydrophobicContact CD2-CD1 3.94Å; L102-I113 HydrophobicContact CD2-CG1 4Å; L102-F115 HydrophobicContact CD1-CE1 4.4Å; L102-F115 HydrophobicContact CD1-CZ 4.3Å; L102-F115 HydrophobicContact CD2-CE1 4.44Å; L102-F115 HydrophobicContact CD2-CZ 4.42Å; L102-M132 HydrophobicContact CD1-CB 4.43Å; L102-M132 HydrophobicContact CD1-CG 4.45Å; L102-M132 HydrophobicContact CD1-SD 4.48Å; L102-Y135 HydrophobicContact CB-CE1 4.25Å; L102-Y135 HydrophobicContact CD1-CD1 4.34Å; L102-L140 HydrophobicContact CB-CD1 3.98Å; L102-M301 HydrophobicContact CG-CE 4.27Å
103	R	98.9	Very high	98.5	Very high	114 Å²	114	44.8 Å²	44.8	43%	0.43	23%	0.225	S	C	.	.	H	α-helix	trans	-64.8	-44.1	173.4	-179.6	174.4	59.5	115.5	-6.4	112	K99 K100 G101 L105 K106 E107 L140	K99-R103 PolarHBondContact O-N 3.16Å; K100-R103 WeakPolarHBondContact O-CB 3.5Å; K100-R103 PolarHBondContact O-N 2.93Å; G101-R103 VanDerWaalsContact C-N 3.29Å; G101-R103 PolarHBondContact O-N 2.99Å; R103-L105 VanDerWaalsContact C-N 3.27Å; R103-L105 PolarHBondContact O-N 2.83Å; R103-K106 WeakPolarHBondContact O-CB 3.37Å; R103-K106 PolarHBondContact O-N 2.91Å; R103-K106 VanDerWaalsContact O-N 3.11Å; R103-E107 HydrophobicContact CG-CG 4.39Å; R103-E107 WeakPolarHBondContact CG-OE1 3.24Å; R103-E107 IonicContact NH1-OE1 2.85Å; R103-E107 PolarHBondContact NH1-OE1 3Å; R103-E107 WeakPolarHBondContact O-CG 3.4Å; R103-E107 PolarHBondContact O-N 3.44Å; R103-L140 HydrophobicContact CB-CD2 4.18Å; R103-L140 HydrophobicContact CG-CD2 4.34Å
104	L	98.7	Very high	98.5	Very high	43 Å²	43	44.5 Å²	44.5	23%	0.225	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-40.5	175.3	-68	173.6	0	0	0	111.7	K100 G101 E107 A108 L318 V322	K100-L104 WeakPolarHBondContact O-CG 3.49Å; K100-L104 PolarHBondContact O-N 3.49Å; G101-L104 WeakPolarHBondContact O-CB 3.16Å; G101-L104 PolarHBondContact O-N 2.84Å; L104-E107 PolarHBondContact O-N 2.65Å; L104-A108 WeakPolarHBondContact O-CB 3.47Å; L104-A108 PolarHBondContact O-N 3.49Å; L104-L318 HydrophobicContact CD1-CD2 4.37Å; L104-V322 HydrophobicContact CB-CG2 3.88Å
105	L	98.6	Very high	98.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-41.6	175.2	-65.9	165.8	0	0	0	111.9	V68 G101 L102 R103 A108 G109 M110 L297 F303 I317 V322	V68-L105 HydrophobicContact CG1-CD1 4.36Å; V68-L105 HydrophobicContact CG2-CD2 4.41Å; G101-L105 WeakPolarHBondContact O-CG 3.32Å; G101-L105 PolarHBondContact O-N 2.71Å; L102-L105 PolarHBondContact O-N 2.96Å; R103-L105 VanDerWaalsContact C-N 3.27Å; R103-L105 PolarHBondContact O-N 2.83Å; L105-A108 CarbonylContact O-C 3.46Å; L105-A108 PolarHBondContact O-N 2.87Å; L105-G109 PolarHBondContact O-N 2.8Å; L105-M110 HydrophobicContact CB-CB 4.01Å; L105-M110 HydrophobicContact CB-CE 3.68Å; L105-M110 HydrophobicContact CB-SD 3.74Å; L105-M110 HydrophobicContact CD1-CE 4.43Å; L105-M110 HydrophobicContact CD1-SD 4.06Å; L105-M110 HydrophobicContact CG-SD 4.49Å; L105-M110 WeakPolarHBondContact O-CB 3.36Å; L105-M110 PolarHBondContact O-N 3.23Å; L105-L297 HydrophobicContact CD1-CD1 3.44Å; L105-L297 VanDerWaalsContact CD1-CD1 3.44Å; L105-L297 HydrophobicContact CD2-CD1 4.1Å; L105-L297 HydrophobicContact CG-CD1 4.31Å; L105-F303 HydrophobicContact CD2-CZ 4.04Å; L105-I317 HydrophobicContact CD1-CD1 4.18Å; L105-I317 HydrophobicContact CD2-CD1 4.12Å; L105-I317 HydrophobicContact CG-CD1 3.91Å; L105-V322 HydrophobicContact CD2-CG1 4.13Å; L105-V322 HydrophobicContact CD2-CG2 3.92Å; L105-V322 HydrophobicContact CG-CG2 4.41Å
106	K	98.4	Very high	98.5	Very high	71 Å²	71	39.9 Å²	39.9	31%	0.309	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-46.5	174.8	176.4	75.4	-168.1	90.3	0	111.5	L102 R103 A108 G109 L140 L142	L102-K106 PolarHBondContact O-N 3.18Å; R103-K106 WeakPolarHBondContact O-CB 3.37Å; R103-K106 PolarHBondContact O-N 2.91Å; R103-K106 VanDerWaalsContact O-N 3.11Å; K106-A108 PolarHBondContact O-N 2.67Å; K106-G109 PolarHBondContact O-N 2.96Å; K106-L140 HydrophobicContact CB-CD1 4.26Å; K106-L140 HydrophobicContact CB-CD2 4.43Å; K106-L140 HydrophobicContact CD-CB 4.33Å; K106-L140 WeakPolarHBondContact CD-O 3.48Å; K106-L140 WeakPolarHBondContact CE-O 3.47Å; K106-L140 HydrophobicContact CG-CB 4.37Å; K106-L140 HydrophobicContact CG-CD2 4.47Å; K106-L142 HydrophobicContact CD-CD2 3.37Å; K106-L142 HydrophobicContact CD-CG 4.41Å
107	E	98.3	Very high	98.2	Very high	125 Å²	125	34.9 Å²	34.9	58%	0.584	18%	0.175	S	C	*	.	H	α-helix	trans	-61.9	-32.9	177.2	-71.4	169	-175.1	0	0	111.2	R103 L104 G109	R103-E107 HydrophobicContact CG-CG 4.39Å; R103-E107 WeakPolarHBondContact CG-OE1 3.24Å; R103-E107 IonicContact NH1-OE1 2.85Å; R103-E107 PolarHBondContact NH1-OE1 3Å; R103-E107 WeakPolarHBondContact O-CG 3.4Å; R103-E107 PolarHBondContact O-N 3.44Å; L104-E107 PolarHBondContact O-N 2.65Å; E107-G109 VanDerWaalsContact C-N 3.29Å; E107-G109 PolarHBondContact O-N 2.85Å
108	A	97.5	Very high	98	Very high	39 Å²	39	32 Å²	32	32%	0.322	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-0.5	174.4	0	0	0	0	0	114.7	P65 L104 L105 K106 V322	P65-A108 WeakPolarHBondContact CD-O 3.38Å; P65-A108 HydrophobicContact CG-CB 3.94Å; L104-A108 WeakPolarHBondContact O-CB 3.47Å; L104-A108 PolarHBondContact O-N 3.49Å; L105-A108 CarbonylContact O-C 3.46Å; L105-A108 PolarHBondContact O-N 2.87Å; K106-A108 PolarHBondContact O-N 2.67Å; A108-V322 HydrophobicContact CB-CB 3.93Å; A108-V322 HydrophobicContact CB-CG1 3.66Å; A108-V322 HydrophobicContact CB-CG2 4.28Å
109	G	97.4	Very high	98	Very high	27 Å²	27	32 Å²	32	28%	0.278	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.4	16.2	176	0	0	0	0	0	115.7	L105 K106 E107 E111	L105-G109 PolarHBondContact O-N 2.8Å; K106-G109 PolarHBondContact O-N 2.96Å; E107-G109 VanDerWaalsContact C-N 3.29Å; E107-G109 PolarHBondContact O-N 2.85Å; G109-E111 PolarHBondContact O-N 2.92Å
110	M	98.2	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.			trans	-64.1	131.4	171.9	-175.7	-178.3	63.8	0	0	111.7	P65 V68 L105 K112 I113 L142	P65-M110 WeakPolarHBondContact O-CA 3.14Å; P65-M110 WeakPolarHBondContact O-CB 3.37Å; V68-M110 HydrophobicContact CB-SD 3.96Å; V68-M110 HydrophobicContact CG2-CG 4.17Å; V68-M110 HydrophobicContact CG2-SD 3.93Å; L105-M110 HydrophobicContact CB-CB 4.01Å; L105-M110 HydrophobicContact CB-CE 3.68Å; L105-M110 HydrophobicContact CB-SD 3.74Å; L105-M110 HydrophobicContact CD1-CE 4.43Å; L105-M110 HydrophobicContact CD1-SD 4.06Å; L105-M110 HydrophobicContact CG-SD 4.49Å; L105-M110 WeakPolarHBondContact O-CB 3.36Å; L105-M110 PolarHBondContact O-N 3.23Å; M110-K112 WeakPolarHBondContact CG-O 3.4Å; M110-I113 HydrophobicContact CE-CB 4.4Å; M110-I113 HydrophobicContact SD-CB 4.11Å; M110-I113 HydrophobicContact SD-CD1 3.88Å; M110-L142 HydrophobicContact CE-CD1 3.6Å; M110-L142 HydrophobicContact CE-CD2 4.01Å; M110-L142 HydrophobicContact CE-CG 4.44Å; M110-L142 VanDerWaalsContact O-CD2 3.28Å; M110-L142 WeakPolarHBondContact O-CD2 3.22Å
111	E	98.2	Very high	98	Very high	72 Å²	72	26.6 Å²	26.6	34%	0.336	14%	0.142	S	C	.	.			trans	-112.3	-27.6	176.4	-66.9	178.6	-173.7	0	0	111.8	T66 G109 P143 S144 W345	T66-E111 HydrophobicContact CG2-CB 4.05Å; T66-E111 HydrophobicContact CG2-CG 4.13Å; T66-E111 PolarHBondContact O-N 3.39Å; G109-E111 PolarHBondContact O-N 2.92Å; E111-P143 HydrophobicContact CB-CG 4.07Å; E111-P143 HydrophobicContact CG-CG 4.45Å; E111-P143 WeakPolarHBondContact O-CD 3.43Å; E111-S144 PolarHBondContact O-N 3.09Å; E111-S144 VanDerWaalsContact O-N 3.14Å; E111-W345 HydrophobicContact CB-CZ2 4.16Å; E111-W345 WeakPolarHBondContact OE2-CZ2 3.45Å
112	K	98.5	Very high	97.9	Very high	10 Å²	10	29.3 Å²	29.3	4%	0.043	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130.7	-176.7	179	173.3	-170.7	-46.9	0	111.6	T66 S67 V68 M110 S144 S146 W345	T66-K112 PolarHBondContact O-N 2.99Å; S67-K112 WeakPolarHBondContact CA-O 3.37Å; V68-K112 PolarHBondContact N-O 2.76Å; M110-K112 WeakPolarHBondContact CG-O 3.4Å; K112-S144 WeakPolarHBondContact CA-O 3.49Å; K112-S146 PolarHBondContact NZ-OG 2.94Å; K112-W345 HydrophobicContact CB-CD2 4.36Å; K112-W345 HydrophobicContact CB-CE3 4.5Å; K112-W345 HydrophobicContact CD-CB 4.08Å; K112-W345 HydrophobicContact CD-CD2 3.82Å; K112-W345 HydrophobicContact CD-CE3 3.64Å; K112-W345 HydrophobicContact CD-CG 4.04Å; K112-W345 HydrophobicContact CD-CZ3 4.3Å
113	I	98.8	Very high	97.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.4	169	-170.3	65.3	0	0	0	110.1	V68 L102 M110 F115 C136 L142 S144 V145 S146	V68-I113 HydrophobicContact CB-CD1 4.11Å; V68-I113 HydrophobicContact CG1-CD1 4.32Å; V68-I113 CarbonylContact O-C 3.55Å; L102-I113 HydrophobicContact CD2-CD1 3.94Å; L102-I113 HydrophobicContact CD2-CG1 4Å; M110-I113 HydrophobicContact CE-CB 4.4Å; M110-I113 HydrophobicContact SD-CB 4.11Å; M110-I113 HydrophobicContact SD-CD1 3.88Å; I113-F115 HydrophobicContact CG1-CE1 4.23Å; I113-F115 HydrophobicContact CG1-CE2 4.16Å; I113-F115 HydrophobicContact CG1-CZ 3.98Å; I113-F115 HydrophobicContact CG2-CE2 3.89Å; I113-F115 HydrophobicContact CG2-CZ 4.29Å; I113-C136 HydrophobicContact CG2-CB 4.18Å; I113-L142 HydrophobicContact CB-CD1 3.99Å; I113-L142 HydrophobicContact CG2-CD1 3.63Å; I113-S144 PolarHBondContact N-O 2.94Å; I113-V145 HydrophobicContact CG2-CB 4.24Å; I113-V145 HydrophobicContact CG2-CG1 3.95Å; I113-V145 HydrophobicContact CG2-CG2 4.03Å; I113-S146 PolarHBondContact O-N 3.12Å; I113-S146 PolarHBondContact O-OG 3.01Å
114	N	98.8	Very high	97.8	Very high	11 Å²	11	31.5 Å²	31.5	6%	0.059	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	112.9	169.5	-177.5	56.1	0	0	0	109.9	V68 N69 Y70 S146 V148	V68-N114 PolarHBondContact O-N 3.18Å; N69-N114 CarbonylContact C-O 3.57Å; N69-N114 WeakPolarHBondContact CA-O 3.5Å; N69-N114 WeakPolarHBondContact OD1-CB 3.45Å; N69-N114 PolarHBondContact OD1-ND2 3.06Å; Y70-N114 PolarHBondContact N-O 3.27Å; N114-S146 CarbonylContact C-O 3.59Å; N114-S146 WeakPolarHBondContact CA-O 3.49Å; N114-S146 WeakPolarHBondContact CA-OG 3.46Å; N114-S146 WeakPolarHBondContact CB-OG 3.29Å; N114-S146 PolarHBondContact OD1-OG 3.17Å; N114-V148 WeakPolarHBondContact ND2-CG2 3.28Å
115	F	98.9	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.6	174.1	-64.5	-76	0	0	0	110.2	Y70 F72 L102 I113 L129 M132 V133 V145 S146 I147 V148	Y70-F115 AromaticContact CD1-CD1 3.99Å; Y70-F115 HydrophobicContact CD1-CD1 3.99Å; Y70-F115 AromaticContact CD1-CE1 3.82Å; Y70-F115 HydrophobicContact CD1-CE1 3.82Å; F72-F115 HydrophobicContact CD1-CD1 4.16Å; F72-F115 HydrophobicContact CE1-CB 4.19Å; F72-F115 HydrophobicContact CE1-CD1 4.41Å; L102-F115 HydrophobicContact CD1-CE1 4.4Å; L102-F115 HydrophobicContact CD1-CZ 4.3Å; L102-F115 HydrophobicContact CD2-CE1 4.44Å; L102-F115 HydrophobicContact CD2-CZ 4.42Å; I113-F115 HydrophobicContact CG1-CE1 4.23Å; I113-F115 HydrophobicContact CG1-CE2 4.16Å; I113-F115 HydrophobicContact CG1-CZ 3.98Å; I113-F115 HydrophobicContact CG2-CE2 3.89Å; I113-F115 HydrophobicContact CG2-CZ 4.29Å; F115-L129 HydrophobicContact CB-CD1 3.55Å; F115-L129 HydrophobicContact CD1-CD1 4.21Å; F115-L129 HydrophobicContact CD2-CD1 4.06Å; F115-L129 HydrophobicContact CG-CD1 3.69Å; F115-M132 HydrophobicContact CD1-CE 3.86Å; F115-M132 HydrophobicContact CD1-SD 4.47Å; F115-M132 HydrophobicContact CE1-CB 3.79Å; F115-M132 HydrophobicContact CE1-CE 3.77Å; F115-M132 HydrophobicContact CE1-CG 4.44Å; F115-M132 HydrophobicContact CE1-SD 3.83Å; F115-M132 HydrophobicContact CE2-CB 4.39Å; F115-M132 HydrophobicContact CZ-CB 3.62Å; F115-V133 HydrophobicContact CD2-CG2 3.91Å; F115-V133 HydrophobicContact CE2-CG2 3.91Å; F115-V145 HydrophobicContact CD2-CG1 4.23Å; F115-V145 HydrophobicContact CE2-CG1 3.86Å; F115-S146 PolarHBondContact N-O 2.93Å; F115-I147 HydrophobicContact CB-CG1 4.24Å; F115-I147 WeakPolarHBondContact O-CA 3.16Å; F115-V148 PolarHBondContact O-N 3.43Å
116	S	97.6	Very high	97.7	Very high	16 Å²	16	39.8 Å²	39.8	11%	0.112	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-151.7	-180	-165	0	0	0	0	110	Y70	Y70-S116 PolarHBondContact O-N 3.11Å
117	G	93.3	Very high	97.7	Very high	12 Å²	12	38.6 Å²	38.6	12%	0.124	20%	0.197	C	C	.	.	S	Bend	trans	126.2	-135.8	-178.8	0	0	0	0	0	111.8	T73	T73-G117 CarbonylContact O-C 3.57Å; T73-G117 VanDerWaalsContact O-CA 3.23Å; T73-G117 WeakPolarHBondContact O-CA 3.33Å
118	G	94.3	Very high	97.7	Very high	14 Å²	14	32.9 Å²	32.9	14%	0.144	17%	0.17	C	C	.	.	S	Bend	trans	-67.5	-106.8	161.5	0	0	0	0	0	110.3	T73 K75	T73-G118 PolarHBondContact O-N 3.3Å; K75-G118 CarbonylContact O-C 3.5Å; K75-G118 WeakPolarHBondContact O-CA 3.47Å
119	E	98.2	Very high	97.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.155	C	C	.	.			trans	-114.2	106.1	171	177	44.6	-125.4	0	0	110.7	K75 N77 F121 L122 S149 N150 M153	K75-E119 PolarHBondContact O-N 3.38Å; N77-E119 WeakPolarHBondContact OD1-CG 3.4Å; E119-F121 VanDerWaalsContact C-N 3.26Å; E119-F121 PolarHBondContact O-N 3.41Å; E119-F121 WeakPolarHBondContact OE1-CB 3.3Å; E119-F121 WeakPolarHBondContact OE1-CD2 3.26Å; E119-F121 PolarHBondContact OE1-N 2.91Å; E119-L122 HydrophobicContact CB-CB 4.27Å; E119-L122 HydrophobicContact CG-CB 4.3Å; E119-L122 VanDerWaalsContact O-CB 3.22Å; E119-L122 WeakPolarHBondContact O-CB 3.34Å; E119-L122 PolarHBondContact O-N 3.29Å; E119-S149 VanDerWaalsContact CD-OG 3.25Å; E119-S149 PolarHBondContact OE1-OG 2.94Å; E119-S149 PolarHBondContact OE2-OG 2.92Å; E119-S149 VanDerWaalsContact OE2-OG 3.07Å; E119-N150 PolarHBondContact OE2-N 2.89Å; E119-N150 PolarHBondContact OE2-ND2 3.04Å; E119-N150 VanDerWaalsContact OE2-ND2 3.11Å; E119-N150 PolarHBondContact OE2-OD1 3.43Å; E119-M153 HydrophobicContact CG-CG 4.39Å
120	P	98.4	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.8	-177.4	-32.2	39.3	0	0	0	115.2	F72 L122 L129 I147 V148	F72-P120 HydrophobicContact CE1-CB 3.75Å; F72-P120 HydrophobicContact CE1-CG 4.24Å; F72-P120 HydrophobicContact CZ-CB 3.71Å; F72-P120 WeakPolarHBondContact CZ-O 3.49Å; P120-L122 PolarHBondContact O-N 3.36Å; P120-L129 HydrophobicContact CB-CD1 4.42Å; P120-L129 HydrophobicContact CB-CD2 3.62Å; P120-I147 HydrophobicContact CB-CG2 4.44Å; P120-I147 HydrophobicContact CG-CG2 4.49Å; P120-V148 WeakPolarHBondContact CG-O 3.44Å
121	F	98.5	Very high	97.9	Very high	3 Å²	3	33 Å²	33	1%	0.013	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.1	-178.2	-74.1	-96.9	0	0	0	113.8	E119 R125 G126 L129 I147 S149 M153 I154 W158 L169	E119-F121 VanDerWaalsContact C-N 3.26Å; E119-F121 PolarHBondContact O-N 3.41Å; E119-F121 WeakPolarHBondContact OE1-CB 3.3Å; E119-F121 WeakPolarHBondContact OE1-CD2 3.26Å; E119-F121 PolarHBondContact OE1-N 2.91Å; F121-R125 CarbonylContact O-C 3.54Å; F121-G126 PolarHBondContact O-N 2.75Å; F121-L129 HydrophobicContact CD1-CD2 4.35Å; F121-L129 HydrophobicContact CD2-CD2 3.9Å; F121-L129 HydrophobicContact CE1-CD2 4.25Å; F121-L129 HydrophobicContact CE2-CD2 3.8Å; F121-L129 HydrophobicContact CG-CD2 4.19Å; F121-L129 HydrophobicContact CZ-CD2 3.97Å; F121-I147 HydrophobicContact CE2-CD1 4.36Å; F121-I147 HydrophobicContact CE2-CG2 3.85Å; F121-I147 HydrophobicContact CZ-CD1 4.15Å; F121-S149 WeakPolarHBondContact CD2-OG 3.33Å; F121-M153 HydrophobicContact CB-CB 3.71Å; F121-I154 HydrophobicContact CD1-CG1 3.91Å; F121-I154 HydrophobicContact CD2-CD1 4.01Å; F121-I154 HydrophobicContact CD2-CG1 3.69Å; F121-I154 HydrophobicContact CE1-CB 4.45Å; F121-I154 HydrophobicContact CE1-CD1 4.36Å; F121-I154 HydrophobicContact CE1-CG1 3.88Å; F121-I154 HydrophobicContact CE1-CG2 4.24Å; F121-I154 HydrophobicContact CE2-CD1 3.54Å; F121-I154 HydrophobicContact CE2-CG1 3.66Å; F121-I154 HydrophobicContact CG-CG1 3.81Å; F121-I154 HydrophobicContact CZ-CD1 3.75Å; F121-I154 HydrophobicContact CZ-CG1 3.76Å; F121-I154 HydrophobicContact CZ-CG2 4.43Å; F121-W158 HydrophobicContact CD1-CG 4.38Å; F121-W158 HydrophobicContact CE1-CB 4.47Å; F121-W158 AromaticContact CE1-CD1 3.85Å; F121-W158 AromaticContact CE1-CD2 3.55Å; F121-W158 HydrophobicContact CE1-CD2 3.55Å; F121-W158 AromaticContact CE1-CE2 3.63Å; F121-W158 HydrophobicContact CE1-CE3 4.05Å; F121-W158 AromaticContact CE1-CG 3.72Å; F121-W158 HydrophobicContact CE1-CG 3.72Å; F121-W158 HydrophobicContact CE1-CZ2 4.22Å; F121-W158 AromaticContact CE1-NE1 3.78Å; F121-W158 HydrophobicContact CZ-CD2 4.19Å; F121-W158 HydrophobicContact CZ-CE3 4.3Å; F121-W158 HydrophobicContact CZ-CH2 4.47Å; F121-W158 HydrophobicContact CZ-CZ2 4.32Å; F121-W158 HydrophobicContact CZ-CZ3 4.45Å; F121-L169 HydrophobicContact CE2-CD1 4.4Å
122	L	97.5	Very high	97.9	Very high	58 Å²	58	29.6 Å²	29.6	30%	0.304	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-44	-178.1	-166.3	66.9	0	0	0	112.4	K75 N77 E119 P120 E124 R125 M153	K75-L122 HydrophobicContact CB-CD2 3.88Å; N77-L122 HydrophobicContact CB-CD1 4.31Å; E119-L122 HydrophobicContact CB-CB 4.27Å; E119-L122 HydrophobicContact CG-CB 4.3Å; E119-L122 VanDerWaalsContact O-CB 3.22Å; E119-L122 WeakPolarHBondContact O-CB 3.34Å; E119-L122 PolarHBondContact O-N 3.29Å; P120-L122 PolarHBondContact O-N 3.36Å; L122-E124 PolarHBondContact O-N 3.46Å; L122-R125 PolarHBondContact O-N 2.8Å; L122-M153 HydrophobicContact CD1-CE 4.35Å; L122-M153 HydrophobicContact CD1-CG 4.34Å
123	H	97.6	Very high	97.9	Very high	51 Å²	51	29.1 Å²	29.1	24%	0.236	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-69.6	128.4	-176.5	-171.9	70.1	0	0	0	110.8	F72 R125 G126 F128	F72-H123 HydrophobicContact CE2-CB 4.43Å; H123-R125 PolarHBondContact O-N 3.19Å; H123-G126 PolarHBondContact O-N 3.15Å; H123-F128 AromaticContact CD2-CD1 3.83Å; H123-F128 AromaticContact CD2-CD2 3.87Å; H123-F128 AromaticContact CD2-CG 3.51Å; H123-F128 AromaticContact NE2-CD2 3.92Å
124	E	97.3	Very high	97.9	Very high	108 Å²	108	32.8 Å²	32.8	51%	0.505	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	46.6	34.5	-174.9	-61.4	-173.3	172.6	0	0	113.8	L122 G126 D127 F128	L122-E124 PolarHBondContact O-N 3.46Å; E124-G126 PolarHBondContact O-N 3.07Å; E124-G126 VanDerWaalsContact O-N 3.14Å; E124-D127 PolarHBondContact O-N 3.41Å; E124-D127 VanDerWaalsContact O-N 3.1Å; E124-F128 HydrophobicContact CB-CB 4.13Å; E124-F128 HydrophobicContact CG-CB 4.4Å
125	R	97.3	Very high	97.9	Very high	218 Å²	218	33.2 Å²	33.2	82%	0.823	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	53.4	33.7	-177.6	-55.2	177	174.8	-178.6	-2.9	112.9	F121 L122 H123	F121-R125 CarbonylContact O-C 3.54Å; L122-R125 PolarHBondContact O-N 2.8Å; H123-R125 PolarHBondContact O-N 3.19Å
126	G	98.3	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	84.1	-2.8	177.7	0	0	0	0	0	115.3	F121 H123 E124 L129 G130 W158	F121-G126 PolarHBondContact O-N 2.75Å; H123-G126 PolarHBondContact O-N 3.15Å; E124-G126 PolarHBondContact O-N 3.07Å; E124-G126 VanDerWaalsContact O-N 3.14Å; G126-L129 PolarHBondContact O-N 3.22Å; G126-G130 PolarHBondContact O-N 3.46Å; G126-W158 PolarHBondContact O-NE1 2.92Å
127	D	98.6	Very high	98	Very high	46 Å²	46	34.8 Å²	34.8	25%	0.246	16%	0.16	C	C	.	.	H	α-helix	trans	-68.6	-40	-179.5	-166.1	62.6	0	0	0	111.8	E124 L129 G130 K131 K161 Y162	E124-D127 PolarHBondContact O-N 3.41Å; E124-D127 VanDerWaalsContact O-N 3.1Å; D127-L129 PolarHBondContact O-N 3.36Å; D127-G130 PolarHBondContact O-N 2.83Å; D127-K131 WeakPolarHBondContact O-CG 3.35Å; D127-K131 PolarHBondContact O-N 3.48Å; D127-K131 WeakPolarHBondContact OD2-CE 3.37Å; D127-K131 IonicContact OD2-NZ 2.8Å; D127-K131 PolarHBondContact OD2-NZ 2.89Å; D127-K161 IonicContact OD1-NZ 3.79Å; D127-K161 PolarHBondContact OD1-NZ 2.93Å; D127-Y162 PolarHBondContact OD1-OH 3.07Å
128	F	98.7	Very high	98.2	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-56.2	-48.8	172.8	-176.6	-90.4	0	0	0	112.2	F72 V92 L93 L95 A98 H123 E124 G130 K131 M132	F72-F128 HydrophobicContact CD2-CD1 4.15Å; F72-F128 AromaticContact CD2-CE1 3.91Å; F72-F128 HydrophobicContact CD2-CE1 3.91Å; F72-F128 HydrophobicContact CE2-CD1 4.03Å; F72-F128 HydrophobicContact CE2-CE1 4.26Å; V92-F128 HydrophobicContact CG1-CE1 3.96Å; V92-F128 HydrophobicContact CG1-CE2 4.47Å; V92-F128 HydrophobicContact CG1-CZ 3.92Å; L93-F128 WeakPolarHBondContact O-CE2 3.41Å; L93-F128 VanDerWaalsContact O-CZ 3.25Å; L93-F128 WeakPolarHBondContact O-CZ 3.4Å; L95-F128 HydrophobicContact CB-CD2 4.15Å; L95-F128 HydrophobicContact CB-CE2 3.7Å; L95-F128 HydrophobicContact CD1-CD2 4.15Å; L95-F128 HydrophobicContact CD1-CE2 3.97Å; L95-F128 HydrophobicContact CD1-CZ 4.31Å; L95-F128 HydrophobicContact CG-CE2 4.44Å; A98-F128 HydrophobicContact CB-CZ 4.31Å; H123-F128 AromaticContact CD2-CD1 3.83Å; H123-F128 AromaticContact CD2-CD2 3.87Å; H123-F128 AromaticContact CD2-CG 3.51Å; H123-F128 AromaticContact NE2-CD2 3.92Å; E124-F128 HydrophobicContact CB-CB 4.13Å; E124-F128 HydrophobicContact CG-CB 4.4Å; F128-G130 PolarHBondContact O-N 2.93Å; F128-K131 PolarHBondContact O-N 2.87Å; F128-M132 HydrophobicContact CD1-CE 3.5Å; F128-M132 VanDerWaalsContact CD1-CE 3.5Å; F128-M132 HydrophobicContact CD1-SD 4.12Å; F128-M132 HydrophobicContact CE1-CE 3.33Å; F128-M132 HydrophobicContact CE1-CG 4.28Å; F128-M132 HydrophobicContact CE1-SD 3.47Å; F128-M132 WeakPolarHBondContact CE1-SD 3.34Å; F128-M132 HydrophobicContact CZ-CE 4.46Å; F128-M132 HydrophobicContact CZ-SD 4.09Å; F128-M132 PolarHBondContact O-N 2.92Å; F128-M132 VanDerWaalsContact O-N 3.15Å
129	L	98.9	Very high	98.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-46.4	175.5	175.1	62.1	0	0	0	111.6	F72 F115 P120 F121 G126 D127 K131 M132 V133 I147 W158	F72-L129 HydrophobicContact CE1-CD1 3.92Å; F72-L129 HydrophobicContact CZ-CB 4.28Å; F72-L129 HydrophobicContact CZ-CD1 4.12Å; F115-L129 HydrophobicContact CB-CD1 3.55Å; F115-L129 HydrophobicContact CD1-CD1 4.21Å; F115-L129 HydrophobicContact CD2-CD1 4.06Å; F115-L129 HydrophobicContact CG-CD1 3.69Å; P120-L129 HydrophobicContact CB-CD1 4.42Å; P120-L129 HydrophobicContact CB-CD2 3.62Å; F121-L129 HydrophobicContact CD1-CD2 4.35Å; F121-L129 HydrophobicContact CD2-CD2 3.9Å; F121-L129 HydrophobicContact CE1-CD2 4.25Å; F121-L129 HydrophobicContact CE2-CD2 3.8Å; F121-L129 HydrophobicContact CG-CD2 4.19Å; F121-L129 HydrophobicContact CZ-CD2 3.97Å; G126-L129 PolarHBondContact O-N 3.22Å; D127-L129 PolarHBondContact O-N 3.36Å; L129-K131 PolarHBondContact O-N 2.95Å; L129-M132 HydrophobicContact CD1-CE 4.3Å; L129-M132 PolarHBondContact O-N 2.9Å; L129-V133 HydrophobicContact CD1-CG2 4.22Å; L129-V133 HydrophobicContact CG-CG2 4.43Å; L129-V133 WeakPolarHBondContact O-CG2 3.47Å; L129-V133 PolarHBondContact O-N 2.95Å; L129-I147 HydrophobicContact CD1-CD1 4.28Å; L129-I147 HydrophobicContact CD1-CG1 4.24Å; L129-I147 HydrophobicContact CD2-CD1 3.78Å; L129-I147 HydrophobicContact CD2-CG1 4.3Å; L129-I147 HydrophobicContact CD2-CG2 4.32Å; L129-I147 HydrophobicContact CG-CD1 4.1Å; L129-W158 HydrophobicContact CD2-CZ2 4.41Å; L129-W158 HydrophobicContact CG-CZ2 4.25Å
130	G	98.8	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-42.6	179.3	0	0	0	0	0	113.1	G126 D127 F128 M132 V133 Q134 Y162	G126-G130 PolarHBondContact O-N 3.46Å; D127-G130 PolarHBondContact O-N 2.83Å; F128-G130 PolarHBondContact O-N 2.93Å; G130-M132 PolarHBondContact O-N 3.34Å; G130-V133 PolarHBondContact O-N 3.05Å; G130-Q134 WeakPolarHBondContact O-CB 3.35Å; G130-Q134 PolarHBondContact O-N 3.14Å; G130-Y162 WeakPolarHBondContact O-CD1 3.26Å
131	K	98.9	Very high	98.5	Very high	69 Å²	69	50 Å²	50	30%	0.3	23%	0.234	S	C	.	.	H	α-helix	trans	-62	-40.3	174.8	-69.9	172.2	-172.5	152.7	0	112.3	L95 D127 F128 L129 Y135	L95-K131 HydrophobicContact CD1-CB 4.13Å; L95-K131 HydrophobicContact CD2-CB 4Å; L95-K131 HydrophobicContact CD2-CD 3.49Å; L95-K131 VanDerWaalsContact CD2-CD 3.49Å; L95-K131 HydrophobicContact CD2-CG 4.36Å; D127-K131 WeakPolarHBondContact O-CG 3.35Å; D127-K131 PolarHBondContact O-N 3.48Å; D127-K131 WeakPolarHBondContact OD2-CE 3.37Å; D127-K131 IonicContact OD2-NZ 2.8Å; D127-K131 PolarHBondContact OD2-NZ 2.89Å; F128-K131 PolarHBondContact O-N 2.87Å; L129-K131 PolarHBondContact O-N 2.95Å; K131-Y135 VanDerWaalsContact O-CB 3.27Å; K131-Y135 WeakPolarHBondContact O-CB 3.27Å; K131-Y135 PolarHBondContact O-N 2.92Å
132	M	98.8	Very high	98.5	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-40.1	175.6	-68	-170.3	-62.7	0	0	112.3	Y70 F72 L95 A98 L102 F115 F128 L129 G130 Y135 C136	Y70-M132 HydrophobicContact CE1-SD 4.03Å; F72-M132 HydrophobicContact CD1-CE 3.92Å; F72-M132 HydrophobicContact CD2-CE 4.11Å; F72-M132 HydrophobicContact CE1-CE 4.04Å; F72-M132 HydrophobicContact CE2-CE 4.22Å; F72-M132 HydrophobicContact CG-CE 3.95Å; F72-M132 HydrophobicContact CZ-CE 4.16Å; L95-M132 HydrophobicContact CD1-CG 3.75Å; A98-M132 HydrophobicContact CB-SD 4.07Å; L102-M132 HydrophobicContact CD1-CB 4.43Å; L102-M132 HydrophobicContact CD1-CG 4.45Å; L102-M132 HydrophobicContact CD1-SD 4.48Å; F115-M132 HydrophobicContact CD1-CE 3.86Å; F115-M132 HydrophobicContact CD1-SD 4.47Å; F115-M132 HydrophobicContact CE1-CB 3.79Å; F115-M132 HydrophobicContact CE1-CE 3.77Å; F115-M132 HydrophobicContact CE1-CG 4.44Å; F115-M132 HydrophobicContact CE1-SD 3.83Å; F115-M132 HydrophobicContact CE2-CB 4.39Å; F115-M132 HydrophobicContact CZ-CB 3.62Å; F128-M132 HydrophobicContact CD1-CE 3.5Å; F128-M132 VanDerWaalsContact CD1-CE 3.5Å; F128-M132 HydrophobicContact CD1-SD 4.12Å; F128-M132 HydrophobicContact CE1-CE 3.33Å; F128-M132 HydrophobicContact CE1-CG 4.28Å; F128-M132 HydrophobicContact CE1-SD 3.47Å; F128-M132 WeakPolarHBondContact CE1-SD 3.34Å; F128-M132 HydrophobicContact CZ-CE 4.46Å; F128-M132 HydrophobicContact CZ-SD 4.09Å; F128-M132 PolarHBondContact O-N 2.92Å; F128-M132 VanDerWaalsContact O-N 3.15Å; L129-M132 HydrophobicContact CD1-CE 4.3Å; L129-M132 PolarHBondContact O-N 2.9Å; G130-M132 PolarHBondContact O-N 3.34Å; M132-Y135 PolarHBondContact O-N 2.84Å; M132-C136 WeakPolarHBondContact O-CB 3.45Å; M132-C136 PolarHBondContact O-N 2.81Å; M132-C136 PolarHBondContact O-SG 2.79Å
133	V	98.9	Very high	98.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-49.4	175.2	167.2	0	0	0	0	110.6	F115 L129 G130 C136 K137 V145 I147 W158 F165 L166	F115-V133 HydrophobicContact CD2-CG2 3.91Å; F115-V133 HydrophobicContact CE2-CG2 3.91Å; L129-V133 HydrophobicContact CD1-CG2 4.22Å; L129-V133 HydrophobicContact CG-CG2 4.43Å; L129-V133 WeakPolarHBondContact O-CG2 3.47Å; L129-V133 PolarHBondContact O-N 2.95Å; G130-V133 PolarHBondContact O-N 3.05Å; V133-C136 PolarHBondContact O-N 3.15Å; V133-K137 PolarHBondContact O-N 2.82Å; V133-V145 HydrophobicContact CB-CG1 4.19Å; V133-V145 HydrophobicContact CG1-CG1 3.92Å; V133-V145 HydrophobicContact CG2-CG1 4Å; V133-I147 HydrophobicContact CG2-CD1 4Å; V133-I147 HydrophobicContact CG2-CG1 4.35Å; V133-W158 HydrophobicContact CG2-CH2 4.41Å; V133-W158 HydrophobicContact CG2-CZ2 4.38Å; V133-F165 HydrophobicContact CG1-CB 3.88Å; V133-L166 HydrophobicContact CG1-CB 4.25Å; V133-L166 HydrophobicContact CG1-CD1 4.33Å
134	Q	98.9	Very high	98.6	Very high	77 Å²	77	47.2 Å²	47.2	36%	0.36	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-47.8	176.6	-178.2	177.2	16.1	0	0	111.5	G130 C136 K137 A138 Y162 F165	G130-Q134 WeakPolarHBondContact O-CB 3.35Å; G130-Q134 PolarHBondContact O-N 3.14Å; Q134-C136 PolarHBondContact O-N 2.79Å; Q134-K137 PolarHBondContact O-N 3.4Å; Q134-A138 HydrophobicContact CG-CB 4.46Å; Q134-A138 VanDerWaalsContact O-CB 3.23Å; Q134-A138 WeakPolarHBondContact O-CB 3.47Å; Q134-A138 PolarHBondContact O-N 3.22Å; Q134-Y162 HydrophobicContact CB-CD1 4.45Å; Q134-F165 HydrophobicContact CB-CD2 3.92Å; Q134-F165 HydrophobicContact CB-CE2 4.2Å; Q134-F165 HydrophobicContact CB-CG 4.21Å; Q134-F165 HydrophobicContact CG-CD1 4.31Å; Q134-F165 HydrophobicContact CG-CD2 3.92Å; Q134-F165 HydrophobicContact CG-CE1 4.13Å; Q134-F165 HydrophobicContact CG-CE2 3.73Å; Q134-F165 HydrophobicContact CG-CG 4.22Å; Q134-F165 HydrophobicContact CG-CZ 3.84Å
135	Y	98.9	Very high	98.6	Very high	21 Å²	21	42 Å²	42	8%	0.082	20%	0.2	C	C	.	.	I	π-helix	trans	-56.4	-48.4	177	178.5	-107.2	0	0	0	111.9	K99 L102 K131 M132 K137 E139 L140	K99-Y135 HydrophobicContact CB-CD1 4.07Å; K99-Y135 HydrophobicContact CB-CE1 3.69Å; K99-Y135 HydrophobicContact CB-CE2 4.33Å; K99-Y135 HydrophobicContact CD-CD1 4.44Å; K99-Y135 HydrophobicContact CD-CD2 3.88Å; K99-Y135 HydrophobicContact CD-CE2 4.08Å; K99-Y135 HydrophobicContact CD-CG 4.09Å; K99-Y135 HydrophobicContact CG-CD1 3.7Å; K99-Y135 HydrophobicContact CG-CD2 4.05Å; K99-Y135 HydrophobicContact CG-CE1 3.87Å; K99-Y135 HydrophobicContact CG-CE2 4.25Å; K99-Y135 HydrophobicContact CG-CG 3.81Å; K99-Y135 WeakPolarHBondContact O-CE1 3.41Å; L102-Y135 HydrophobicContact CB-CE1 4.25Å; L102-Y135 HydrophobicContact CD1-CD1 4.34Å; K131-Y135 VanDerWaalsContact O-CB 3.27Å; K131-Y135 WeakPolarHBondContact O-CB 3.27Å; K131-Y135 PolarHBondContact O-N 2.92Å; M132-Y135 PolarHBondContact O-N 2.84Å; Y135-K137 VanDerWaalsContact C-N 3.35Å; Y135-K137 PolarHBondContact O-N 2.93Å; Y135-E139 HydrophobicContact CD2-CB 3.85Å; Y135-E139 HydrophobicContact CD2-CG 4.06Å; Y135-E139 WeakPolarHBondContact CD2-OE1 3.23Å; Y135-E139 VanDerWaalsContact CD2-OE2 3.32Å; Y135-E139 WeakPolarHBondContact CD2-OE2 3.23Å; Y135-E139 HydrophobicContact CE2-CB 3.95Å; Y135-E139 HydrophobicContact CE2-CG 4.42Å; Y135-E139 WeakPolarHBondContact CE2-OE2 3.25Å; Y135-E139 WeakPolarHBondContact O-CA 2.96Å; Y135-E139 WeakPolarHBondContact O-CB 3.45Å; Y135-E139 PolarHBondContact O-N 2.76Å; Y135-L140 HydrophobicContact CD1-CD1 3.99Å; Y135-L140 HydrophobicContact CD1-CG 4.11Å; Y135-L140 HydrophobicContact CE1-CD1 3.56Å; Y135-L140 HydrophobicContact CE1-CD2 4Å; Y135-L140 HydrophobicContact CE1-CG 3.67Å; Y135-L140 PolarHBondContact O-N 3.3Å
136	C	98.9	Very high	98.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-61.6	-40.5	179.7	-74	0	0	0	0	113	I113 M132 V133 Q134 Q141 L142 V145	I113-C136 HydrophobicContact CG2-CB 4.18Å; M132-C136 WeakPolarHBondContact O-CB 3.45Å; M132-C136 PolarHBondContact O-N 2.81Å; M132-C136 PolarHBondContact O-SG 2.79Å; V133-C136 PolarHBondContact O-N 3.15Å; Q134-C136 PolarHBondContact O-N 2.79Å; C136-Q141 PolarHBondContact O-N 3.21Å; C136-L142 HydrophobicContact CB-CD1 3.83Å; C136-L142 PolarHBondContact O-N 2.64Å; C136-V145 HydrophobicContact CB-CG1 4.44Å; C136-V145 HydrophobicContact CB-CG2 3.66Å
137	K	98.6	Very high	98.7	Very high	48 Å²	48	31.9 Å²	31.9	21%	0.209	16%	0.162	C	C	.	.	I	π-helix	trans	-84.4	-45.6	-176.6	-162.2	72.3	-179.9	-178.5	0	112.9	V133 Q134 Y135 Q141 L142 P143 V145 F165 D167	V133-K137 PolarHBondContact O-N 2.82Å; Q134-K137 PolarHBondContact O-N 3.4Å; Y135-K137 VanDerWaalsContact C-N 3.35Å; Y135-K137 PolarHBondContact O-N 2.93Å; K137-Q141 WeakPolarHBondContact O-CA 3.46Å; K137-L142 PolarHBondContact NZ-O 2.89Å; K137-P143 PolarHBondContact NZ-O 3.06Å; K137-V145 HydrophobicContact CB-CG2 4.09Å; K137-V145 HydrophobicContact CD-CG2 4Å; K137-F165 HydrophobicContact CB-CB 3.87Å; K137-F165 HydrophobicContact CB-CD1 4.26Å; K137-F165 WeakPolarHBondContact CB-O 3.45Å; K137-F165 HydrophobicContact CG-CB 4.3Å; K137-F165 WeakPolarHBondContact CG-O 3.44Å; K137-D167 VanDerWaalsContact NZ-CG 3.26Å; K137-D167 IonicContact NZ-OD1 3.07Å; K137-D167 PolarHBondContact NZ-OD1 2.81Å; K137-D167 IonicContact NZ-OD2 2.74Å; K137-D167 PolarHBondContact NZ-OD2 3Å
138	A	98.6	Very high	98.8	Very high	52 Å²	52	30.5 Å²	30.5	43%	0.43	16%	0.155	S	C	.	.	I	π-helix	trans	-85.5	-41.9	-172.8	0	0	0	0	0	112.8	Q134 F165	Q134-A138 HydrophobicContact CG-CB 4.46Å; Q134-A138 VanDerWaalsContact O-CB 3.23Å; Q134-A138 WeakPolarHBondContact O-CB 3.47Å; Q134-A138 PolarHBondContact O-N 3.22Å; A138-F165 HydrophobicContact CB-CD1 4.26Å; A138-F165 HydrophobicContact CB-CE1 4.04Å
139	E	98.6	Very high	98.8	Very high	124 Å²	124	30.4 Å²	30.4	58%	0.579	16%	0.155	S	C	*	.	I	π-helix	trans	-94.6	-48.5	-175	-61.9	-177.2	-133.7	0	0	111.8	Y135 Q141	Y135-E139 HydrophobicContact CD2-CB 3.85Å; Y135-E139 HydrophobicContact CD2-CG 4.06Å; Y135-E139 WeakPolarHBondContact CD2-OE1 3.23Å; Y135-E139 VanDerWaalsContact CD2-OE2 3.32Å; Y135-E139 WeakPolarHBondContact CD2-OE2 3.23Å; Y135-E139 HydrophobicContact CE2-CB 3.95Å; Y135-E139 HydrophobicContact CE2-CG 4.42Å; Y135-E139 WeakPolarHBondContact CE2-OE2 3.25Å; Y135-E139 WeakPolarHBondContact O-CA 2.96Å; Y135-E139 WeakPolarHBondContact O-CB 3.45Å; Y135-E139 PolarHBondContact O-N 2.76Å; E139-Q141 VanDerWaalsContact C-N 3.33Å
140	L	98.7	Very high	98.7	Very high	20 Å²	20	30.9 Å²	30.9	11%	0.105	16%	0.158	C	C	.	.	S	Bend	trans	-81.9	-11.9	178.6	-60	-175.3	0	0	0	113.9	L102 R103 K106 Y135 L142	L102-L140 HydrophobicContact CB-CD1 3.98Å; R103-L140 HydrophobicContact CB-CD2 4.18Å; R103-L140 HydrophobicContact CG-CD2 4.34Å; K106-L140 HydrophobicContact CB-CD1 4.26Å; K106-L140 HydrophobicContact CB-CD2 4.43Å; K106-L140 HydrophobicContact CD-CB 4.33Å; K106-L140 WeakPolarHBondContact CD-O 3.48Å; K106-L140 WeakPolarHBondContact CE-O 3.47Å; K106-L140 HydrophobicContact CG-CB 4.37Å; K106-L140 HydrophobicContact CG-CD2 4.47Å; Y135-L140 HydrophobicContact CD1-CD1 3.99Å; Y135-L140 HydrophobicContact CD1-CG 4.11Å; Y135-L140 HydrophobicContact CE1-CD1 3.56Å; Y135-L140 HydrophobicContact CE1-CD2 4Å; Y135-L140 HydrophobicContact CE1-CG 3.67Å; Y135-L140 PolarHBondContact O-N 3.3Å; L140-L142 HydrophobicContact CB-CG 4.24Å; L140-L142 PolarHBondContact O-N 3.01Å
141	Q	98.5	Very high	98.7	Very high	150 Å²	150	30.9 Å²	30.9	70%	0.701	16%	0.158	S	C	*	.			trans	52.1	41.9	179.4	-58.2	174.9	26.4	0	0	112.7	C136 K137 E139 P143	C136-Q141 PolarHBondContact O-N 3.21Å; K137-Q141 WeakPolarHBondContact O-CA 3.46Å; E139-Q141 VanDerWaalsContact C-N 3.33Å; Q141-P143 WeakPolarHBondContact O-CD 3.33Å
142	L	98.6	Very high	98.6	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	15%	0.146	C	C	.	.			trans	-63.7	133.4	176.9	-68.6	-178.5	0	0	0	110.7	K106 M110 I113 C136 K137 L140 S144 V145	K106-L142 HydrophobicContact CD-CD2 3.37Å; K106-L142 HydrophobicContact CD-CG 4.41Å; M110-L142 HydrophobicContact CE-CD1 3.6Å; M110-L142 HydrophobicContact CE-CD2 4.01Å; M110-L142 HydrophobicContact CE-CG 4.44Å; M110-L142 VanDerWaalsContact O-CD2 3.28Å; M110-L142 WeakPolarHBondContact O-CD2 3.22Å; I113-L142 HydrophobicContact CB-CD1 3.99Å; I113-L142 HydrophobicContact CG2-CD1 3.63Å; C136-L142 HydrophobicContact CB-CD1 3.83Å; C136-L142 PolarHBondContact O-N 2.64Å; K137-L142 PolarHBondContact NZ-O 2.89Å; L140-L142 HydrophobicContact CB-CG 4.24Å; L140-L142 PolarHBondContact O-N 3.01Å; L142-S144 PolarHBondContact O-N 3.3Å; L142-V145 HydrophobicContact CB-CG2 4.29Å
143	P	98.4	Very high	98.5	Very high	51 Å²	51	30.5 Å²	30.5	33%	0.331	16%	0.159	S	C	.	.	S	Bend	trans	-49.6	-40.8	170.1	-32	34.5	0	0	0	113.4	E111 K137 Q141 S346	E111-P143 HydrophobicContact CB-CG 4.07Å; E111-P143 HydrophobicContact CG-CG 4.45Å; E111-P143 WeakPolarHBondContact O-CD 3.43Å; K137-P143 PolarHBondContact NZ-O 3.06Å; Q141-P143 WeakPolarHBondContact O-CD 3.33Å; P143-S346 WeakPolarHBondContact O-CB 3.36Å
144	S	98.7	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	130.5	-178.8	-177.9	0	0	0	0	114.1	E111 K112 I113 L142 D167 W345	E111-S144 PolarHBondContact O-N 3.09Å; E111-S144 VanDerWaalsContact O-N 3.14Å; K112-S144 WeakPolarHBondContact CA-O 3.49Å; I113-S144 PolarHBondContact N-O 2.94Å; L142-S144 PolarHBondContact O-N 3.3Å; S144-D167 WeakPolarHBondContact CA-OD2 3.42Å; S144-W345 VanDerWaalsContact CB-O 3.28Å; S144-W345 WeakPolarHBondContact CB-O 3.47Å; S144-W345 PolarHBondContact OG-O 3.34Å
145	V	98.9	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.1	170	-175.8	0	0	0	0	108.7	I113 F115 V133 C136 K137 L142 L166 D167 I168	I113-V145 HydrophobicContact CG2-CB 4.24Å; I113-V145 HydrophobicContact CG2-CG1 3.95Å; I113-V145 HydrophobicContact CG2-CG2 4.03Å; F115-V145 HydrophobicContact CD2-CG1 4.23Å; F115-V145 HydrophobicContact CE2-CG1 3.86Å; V133-V145 HydrophobicContact CB-CG1 4.19Å; V133-V145 HydrophobicContact CG1-CG1 3.92Å; V133-V145 HydrophobicContact CG2-CG1 4Å; C136-V145 HydrophobicContact CB-CG1 4.44Å; C136-V145 HydrophobicContact CB-CG2 3.66Å; K137-V145 HydrophobicContact CB-CG2 4.09Å; K137-V145 HydrophobicContact CD-CG2 4Å; L142-V145 HydrophobicContact CB-CG2 4.29Å; V145-L166 HydrophobicContact CG1-CD1 4.45Å; V145-L166 WeakPolarHBondContact O-CD1 3.47Å; V145-D167 PolarHBondContact N-OD2 2.88Å; V145-D167 WeakPolarHBondContact O-CB 3.35Å; V145-D167 PolarHBondContact O-N 3.5Å; V145-I168 PolarHBondContact O-N 3.27Å
146	S	98.9	Very high	98.5	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160.8	178.7	70.7	0	0	0	0	113.5	K112 I113 N114 F115 I168	K112-S146 PolarHBondContact NZ-OG 2.94Å; I113-S146 PolarHBondContact O-N 3.12Å; I113-S146 PolarHBondContact O-OG 3.01Å; N114-S146 CarbonylContact C-O 3.59Å; N114-S146 WeakPolarHBondContact CA-O 3.49Å; N114-S146 WeakPolarHBondContact CA-OG 3.46Å; N114-S146 WeakPolarHBondContact CB-OG 3.29Å; N114-S146 PolarHBondContact OD1-OG 3.17Å; F115-S146 PolarHBondContact N-O 2.93Å; S146-I168 CarbonylContact C-O 3.59Å; S146-I168 WeakPolarHBondContact CA-O 3.42Å; S146-I168 WeakPolarHBondContact CB-O 3.46Å
147	I	98.9	Very high	98.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.5	173.9	-63.3	162.2	0	0	0	109.6	F115 P120 F121 L129 V133 W158 L166 I168 L169 A170	F115-I147 HydrophobicContact CB-CG1 4.24Å; F115-I147 WeakPolarHBondContact O-CA 3.16Å; P120-I147 HydrophobicContact CB-CG2 4.44Å; P120-I147 HydrophobicContact CG-CG2 4.49Å; F121-I147 HydrophobicContact CE2-CD1 4.36Å; F121-I147 HydrophobicContact CE2-CG2 3.85Å; F121-I147 HydrophobicContact CZ-CD1 4.15Å; L129-I147 HydrophobicContact CD1-CD1 4.28Å; L129-I147 HydrophobicContact CD1-CG1 4.24Å; L129-I147 HydrophobicContact CD2-CD1 3.78Å; L129-I147 HydrophobicContact CD2-CG1 4.3Å; L129-I147 HydrophobicContact CD2-CG2 4.32Å; L129-I147 HydrophobicContact CG-CD1 4.1Å; V133-I147 HydrophobicContact CG2-CD1 4Å; V133-I147 HydrophobicContact CG2-CG1 4.35Å; I147-W158 HydrophobicContact CD1-CH2 3.54Å; I147-W158 HydrophobicContact CD1-CZ2 3.9Å; I147-W158 HydrophobicContact CD1-CZ3 4.4Å; I147-L166 HydrophobicContact CD1-CD1 3.7Å; I147-L166 HydrophobicContact CD1-CD2 3.94Å; I147-L166 HydrophobicContact CD1-CG 4.5Å; I147-L166 HydrophobicContact CG1-CD1 3.83Å; I147-I168 PolarHBondContact N-O 2.96Å; I147-L169 HydrophobicContact CB-CD1 3.9Å; I147-L169 HydrophobicContact CG2-CD1 4.02Å; I147-A170 WeakPolarHBondContact O-CB 3.45Å; I147-A170 PolarHBondContact O-N 3.31Å
148	V	98.9	Very high	98.5	Very high	16 Å²	16	38.7 Å²	38.7	10%	0.097	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.7	162.7	177.7	0	0	0	0	108.8	N114 F115 P120 A170	N114-V148 WeakPolarHBondContact ND2-CG2 3.28Å; F115-V148 PolarHBondContact O-N 3.43Å; P120-V148 WeakPolarHBondContact CG-O 3.44Å; V148-A170 WeakPolarHBondContact CA-O 3.48Å; V148-A170 HydrophobicContact CB-CB 4.48Å; V148-A170 HydrophobicContact CG2-CB 3.91Å
149	S	98.8	Very high	98.5	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159.2	-177.2	173	0	0	0	0	111.3	E119 F121 G151 A170 I171 S172	E119-S149 VanDerWaalsContact CD-OG 3.25Å; E119-S149 PolarHBondContact OE1-OG 2.94Å; E119-S149 PolarHBondContact OE2-OG 2.92Å; E119-S149 VanDerWaalsContact OE2-OG 3.07Å; F121-S149 WeakPolarHBondContact CD2-OG 3.33Å; S149-G151 PolarHBondContact OG-N 3.28Å; S149-A170 PolarHBondContact N-O 3.34Å; S149-I171 WeakPolarHBondContact O-CA 3.45Å; S149-S172 PolarHBondContact O-N 3.46Å
150	N	98.3	Very high	98.5	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.048	17%	0.173	C	C	.	.			trans	-78.9	-8.2	166.5	72.6	35.5	0	0	0	112.8	N77 Y78 E119 S152 H193	N77-N150 PolarHBondContact OD1-ND2 3.12Å; Y78-N150 HydrophobicContact CD2-CB 3.86Å; Y78-N150 HydrophobicContact CE2-CB 3.87Å; Y78-N150 HydrophobicContact CG-CB 4.42Å; E119-N150 PolarHBondContact OE2-N 2.89Å; E119-N150 PolarHBondContact OE2-ND2 3.04Å; E119-N150 VanDerWaalsContact OE2-ND2 3.11Å; E119-N150 PolarHBondContact OE2-OD1 3.43Å; N150-S152 VanDerWaalsContact C-N 3.26Å; N150-S152 PolarHBondContact O-N 3.44Å; N150-S152 VanDerWaalsContact OD1-CB 3.25Å; N150-S152 WeakPolarHBondContact OD1-CB 3.28Å; N150-S152 PolarHBondContact OD1-N 3.43Å; N150-S152 PolarHBondContact OD1-OG 3.05Å; N150-H193 PolarHBondContact O-CE1 3.2Å
151	G	98.1	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	82.2	-18.7	175	0	0	0	0	0	115.8	S149 M153 I154 N196 I200	S149-G151 PolarHBondContact OG-N 3.28Å; G151-M153 VanDerWaalsContact C-N 3.26Å; G151-M153 PolarHBondContact O-N 3.35Å; G151-M153 VanDerWaalsContact O-N 3.13Å; G151-I154 PolarHBondContact O-N 3.17Å; G151-I154 VanDerWaalsContact O-N 3.14Å; G151-N196 PolarHBondContact O-ND2 3.47Å; G151-I200 VanDerWaalsContact CA-CD1 3.48Å; G151-I200 WeakPolarHBondContact O-CD1 3.35Å
152	S	97.1	Very high	98.5	Very high	7 Å²	7	33.8 Å²	33.8	5%	0.049	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.6	-167.8	63.6	0	0	0	0	115	N77 N150	N77-S152 PolarHBondContact ND2-OG 3.23Å; N150-S152 VanDerWaalsContact C-N 3.26Å; N150-S152 PolarHBondContact O-N 3.44Å; N150-S152 VanDerWaalsContact OD1-CB 3.25Å; N150-S152 WeakPolarHBondContact OD1-CB 3.28Å; N150-S152 PolarHBondContact OD1-N 3.43Å; N150-S152 PolarHBondContact OD1-OG 3.05Å
153	M	97.3	Very high	98.5	Very high	55 Å²	55	33.6 Å²	33.6	27%	0.271	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-3.9	-177.8	-63.2	-57	-65.8	0	0	113.4	E119 F121 L122 G151	E119-M153 HydrophobicContact CG-CG 4.39Å; F121-M153 HydrophobicContact CB-CB 3.71Å; L122-M153 HydrophobicContact CD1-CE 4.35Å; L122-M153 HydrophobicContact CD1-CG 4.34Å; G151-M153 VanDerWaalsContact C-N 3.26Å; G151-M153 PolarHBondContact O-N 3.35Å; G151-M153 VanDerWaalsContact O-N 3.13Å
154	I	98.3	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.			trans	-71	138.2	-178.1	-53.9	-173.6	0	0	0	110	F121 G151 F159 L169 I171 I200 W203	F121-I154 HydrophobicContact CD1-CG1 3.91Å; F121-I154 HydrophobicContact CD2-CD1 4.01Å; F121-I154 HydrophobicContact CD2-CG1 3.69Å; F121-I154 HydrophobicContact CE1-CB 4.45Å; F121-I154 HydrophobicContact CE1-CD1 4.36Å; F121-I154 HydrophobicContact CE1-CG1 3.88Å; F121-I154 HydrophobicContact CE1-CG2 4.24Å; F121-I154 HydrophobicContact CE2-CD1 3.54Å; F121-I154 HydrophobicContact CE2-CG1 3.66Å; F121-I154 HydrophobicContact CG-CG1 3.81Å; F121-I154 HydrophobicContact CZ-CD1 3.75Å; F121-I154 HydrophobicContact CZ-CG1 3.76Å; F121-I154 HydrophobicContact CZ-CG2 4.43Å; G151-I154 PolarHBondContact O-N 3.17Å; G151-I154 VanDerWaalsContact O-N 3.14Å; I154-F159 HydrophobicContact CG2-CD2 4.23Å; I154-F159 HydrophobicContact CG2-CE2 3.53Å; I154-F159 HydrophobicContact CG2-CZ 4.41Å; I154-L169 HydrophobicContact CD1-CD1 4.2Å; I154-L169 HydrophobicContact CD1-CD2 3.97Å; I154-I171 HydrophobicContact CD1-CD1 3.81Å; I154-I200 HydrophobicContact CB-CD1 4.31Å; I154-I200 HydrophobicContact CB-CG1 4.46Å; I154-I200 HydrophobicContact CD1-CD1 4.08Å; I154-W203 HydrophobicContact CG2-CE3 4.35Å; I154-W203 HydrophobicContact CG2-CZ3 4.17Å
155	K	98.2	Very high	98.5	Very high	102 Å²	102	39.3 Å²	39.3	44%	0.443	18%	0.184	S	C	.	.			trans	-131.9	146.5	177.5	-56	-65.1	165.1	-170.8	0	109	K157 W158	K155-K157 HydrophobicContact CB-CG 3.95Å; K155-K157 PolarHBondContact O-N 2.99Å; K155-W158 VanDerWaalsContact O-CB 3.27Å; K155-W158 WeakPolarHBondContact O-CB 3.37Å; K155-W158 PolarHBondContact O-N 3.23Å
156	E	98.6	Very high	98.5	Very high	64 Å²	64	39.3 Å²	39.3	30%	0.299	18%	0.184	S	C	.	.	H	α-helix	trans	-52.9	-38.9	178.7	-166.5	174.5	170.1	0	0	113.3	W158 F159 Q160 W203 Q206 Y207	E156-W158 PolarHBondContact O-N 3.02Å; E156-F159 WeakPolarHBondContact O-CA 3.39Å; E156-F159 WeakPolarHBondContact O-CB 3.37Å; E156-F159 PolarHBondContact O-N 3.01Å; E156-Q160 PolarHBondContact O-N 2.85Å; E156-W203 HydrophobicContact CB-CD2 4.26Å; E156-W203 HydrophobicContact CB-CH2 4.44Å; E156-W203 HydrophobicContact CB-CZ2 3.75Å; E156-W203 HydrophobicContact CG-CG 4.42Å; E156-W203 PolarHBondContact OE2-NE1 3.02Å; E156-Q206 PolarHBondContact OE1-NE2 3.35Å; E156-Y207 HydrophobicContact CG-CE2 3.69Å; E156-Y207 PolarHBondContact OE1-OH 3.24Å; E156-Y207 VanDerWaalsContact OE1-OH 3.07Å
157	K	98.5	Very high	98.5	Very high	139 Å²	139	39.1 Å²	39.1	60%	0.604	18%	0.183	S	C	*	.	H	α-helix	trans	-55.1	-25.7	175.8	68.5	173.8	-175.3	173.4	0	114.2	K155 K161	K155-K157 HydrophobicContact CB-CG 3.95Å; K155-K157 PolarHBondContact O-N 2.99Å; K157-K161 WeakPolarHBondContact O-CB 3.33Å; K157-K161 PolarHBondContact O-N 3.46Å
158	W	98.8	Very high	98.5	Very high	13 Å²	13	39.2 Å²	39.2	5%	0.049	18%	0.184	C	C	.	.	H	α-helix	trans	-72.6	-41.8	175.4	-169.3	99.1	0	0	0	110.5	F121 G126 L129 V133 I147 K155 E156 K161 Y162 L166	F121-W158 HydrophobicContact CD1-CG 4.38Å; F121-W158 HydrophobicContact CE1-CB 4.47Å; F121-W158 AromaticContact CE1-CD1 3.85Å; F121-W158 AromaticContact CE1-CD2 3.55Å; F121-W158 HydrophobicContact CE1-CD2 3.55Å; F121-W158 AromaticContact CE1-CE2 3.63Å; F121-W158 HydrophobicContact CE1-CE3 4.05Å; F121-W158 AromaticContact CE1-CG 3.72Å; F121-W158 HydrophobicContact CE1-CG 3.72Å; F121-W158 HydrophobicContact CE1-CZ2 4.22Å; F121-W158 AromaticContact CE1-NE1 3.78Å; F121-W158 HydrophobicContact CZ-CD2 4.19Å; F121-W158 HydrophobicContact CZ-CE3 4.3Å; F121-W158 HydrophobicContact CZ-CH2 4.47Å; F121-W158 HydrophobicContact CZ-CZ2 4.32Å; F121-W158 HydrophobicContact CZ-CZ3 4.45Å; G126-W158 PolarHBondContact O-NE1 2.92Å; L129-W158 HydrophobicContact CD2-CZ2 4.41Å; L129-W158 HydrophobicContact CG-CZ2 4.25Å; V133-W158 HydrophobicContact CG2-CH2 4.41Å; V133-W158 HydrophobicContact CG2-CZ2 4.38Å; I147-W158 HydrophobicContact CD1-CH2 3.54Å; I147-W158 HydrophobicContact CD1-CZ2 3.9Å; I147-W158 HydrophobicContact CD1-CZ3 4.4Å; K155-W158 VanDerWaalsContact O-CB 3.27Å; K155-W158 WeakPolarHBondContact O-CB 3.37Å; K155-W158 PolarHBondContact O-N 3.23Å; E156-W158 PolarHBondContact O-N 3.02Å; W158-K161 PolarHBondContact O-N 3.44Å; W158-Y162 AromaticContact CD1-CD2 3.72Å; W158-Y162 AromaticContact CD2-CD2 3.96Å; W158-Y162 HydrophobicContact CD2-CD2 3.96Å; W158-Y162 AromaticContact CE2-CD2 3.7Å; W158-Y162 AromaticContact CG-CD2 3.98Å; W158-Y162 HydrophobicContact CG-CD2 3.98Å; W158-Y162 HydrophobicContact CZ2-CD2 4.28Å; W158-Y162 HydrophobicContact CZ2-CG 4.38Å; W158-Y162 AromaticContact NE1-CD2 3.54Å; W158-Y162 WeakPolarHBondContact O-CB 3.36Å; W158-Y162 PolarHBondContact O-N 3.1Å; W158-L166 HydrophobicContact CH2-CD2 4.01Å; W158-L166 HydrophobicContact CZ3-CD2 3.85Å
159	F	98.8	Very high	98.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-43.1	172.8	-74.1	-93.8	0	0	0	111.8	I154 E156 K161 Y162 G163 L169 I200 W203 Y207 V209	I154-F159 HydrophobicContact CG2-CD2 4.23Å; I154-F159 HydrophobicContact CG2-CE2 3.53Å; I154-F159 HydrophobicContact CG2-CZ 4.41Å; E156-F159 WeakPolarHBondContact O-CA 3.39Å; E156-F159 WeakPolarHBondContact O-CB 3.37Å; E156-F159 PolarHBondContact O-N 3.01Å; F159-K161 PolarHBondContact O-N 2.61Å; F159-Y162 PolarHBondContact O-N 2.89Å; F159-G163 VanDerWaalsContact O-CA 3.28Å; F159-G163 WeakPolarHBondContact O-CA 3.28Å; F159-G163 PolarHBondContact O-N 2.92Å; F159-L169 HydrophobicContact CE1-CD2 4.18Å; F159-L169 HydrophobicContact CE2-CD2 4.42Å; F159-L169 HydrophobicContact CZ-CD2 3.52Å; F159-I200 HydrophobicContact CZ-CG2 4.37Å; F159-W203 HydrophobicContact CD1-CB 4.42Å; F159-W203 HydrophobicContact CD2-CB 3.94Å; F159-W203 HydrophobicContact CD2-CD2 4.45Å; F159-W203 HydrophobicContact CD2-CE3 4.18Å; F159-W203 HydrophobicContact CD2-CG 4.41Å; F159-W203 HydrophobicContact CE1-CB 4.26Å; F159-W203 HydrophobicContact CE2-CB 3.75Å; F159-W203 HydrophobicContact CE2-CD2 4.31Å; F159-W203 AromaticContact CE2-CE3 3.74Å; F159-W203 HydrophobicContact CE2-CE3 3.74Å; F159-W203 HydrophobicContact CE2-CG 4.37Å; F159-W203 HydrophobicContact CG-CB 4.26Å; F159-W203 HydrophobicContact CZ-CB 3.91Å; F159-Y207 HydrophobicContact CB-CD1 4.08Å; F159-Y207 HydrophobicContact CB-CD2 3.46Å; F159-Y207 VanDerWaalsContact CB-CD2 3.46Å; F159-Y207 HydrophobicContact CB-CE1 4.48Å; F159-Y207 HydrophobicContact CB-CE2 3.92Å; F159-Y207 HydrophobicContact CB-CG 3.56Å; F159-Y207 HydrophobicContact CD1-CD2 4.22Å; F159-Y207 HydrophobicContact CD1-CG 4.27Å; F159-Y207 AromaticContact CG-CD2 4Å; F159-Y207 HydrophobicContact CG-CD2 4Å; F159-Y207 HydrophobicContact CG-CG 4.28Å; F159-V209 HydrophobicContact CD1-CG2 4.19Å; F159-V209 HydrophobicContact CE1-CB 4.4Å; F159-V209 HydrophobicContact CE1-CG2 4.18Å
160	Q	98.6	Very high	98.5	Very high	120 Å²	120	38.4 Å²	38.4	56%	0.561	18%	0.179	S	C	*	.	H	α-helix	trans	-56.7	-34.3	176.2	-68.3	171.8	-8.7	0	0	112.8	E156 Y207	E156-Q160 PolarHBondContact O-N 2.85Å; Q160-Y207 HydrophobicContact CB-CE1 4.4Å; Q160-Y207 HydrophobicContact CG-CE1 3.69Å; Q160-Y207 WeakPolarHBondContact CG-OH 3.31Å; Q160-Y207 PolarHBondContact NE2-OH 3.26Å
161	K	98.7	Very high	98.5	Very high	116 Å²	116	38 Å²	38	50%	0.504	18%	0.176	S	C	.	.	H	α-helix	trans	-90.8	-36.3	-177.5	-171.5	173.5	177.3	-169.9	0	113.4	D127 K157 W158 F159	D127-K161 IonicContact OD1-NZ 3.79Å; D127-K161 PolarHBondContact OD1-NZ 2.93Å; K157-K161 WeakPolarHBondContact O-CB 3.33Å; K157-K161 PolarHBondContact O-N 3.46Å; W158-K161 PolarHBondContact O-N 3.44Å; F159-K161 PolarHBondContact O-N 2.61Å
162	Y	98.8	Very high	98.5	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-128.4	-7.6	-166.4	-58.2	-64.3	0	0	0	115	D127 G130 Q134 W158 F159 D164 F165	D127-Y162 PolarHBondContact OD1-OH 3.07Å; G130-Y162 WeakPolarHBondContact O-CD1 3.26Å; Q134-Y162 HydrophobicContact CB-CD1 4.45Å; W158-Y162 AromaticContact CD1-CD2 3.72Å; W158-Y162 AromaticContact CD2-CD2 3.96Å; W158-Y162 HydrophobicContact CD2-CD2 3.96Å; W158-Y162 AromaticContact CE2-CD2 3.7Å; W158-Y162 AromaticContact CG-CD2 3.98Å; W158-Y162 HydrophobicContact CG-CD2 3.98Å; W158-Y162 HydrophobicContact CZ2-CD2 4.28Å; W158-Y162 HydrophobicContact CZ2-CG 4.38Å; W158-Y162 AromaticContact NE1-CD2 3.54Å; W158-Y162 WeakPolarHBondContact O-CB 3.36Å; W158-Y162 PolarHBondContact O-N 3.1Å; F159-Y162 PolarHBondContact O-N 2.89Å; Y162-D164 VanDerWaalsContact C-N 3.29Å; Y162-D164 PolarHBondContact O-N 3.3Å; Y162-F165 PolarHBondContact O-N 3.36Å; Y162-F165 VanDerWaalsContact O-N 3.12Å
163	G	98.4	Very high	98.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-60.2	-35.6	-173.7	0	0	0	0	0	113.7	F159 F165 L166 V209 K347	F159-G163 VanDerWaalsContact O-CA 3.28Å; F159-G163 WeakPolarHBondContact O-CA 3.28Å; F159-G163 PolarHBondContact O-N 2.92Å; G163-F165 PolarHBondContact O-N 3.38Å; G163-L166 PolarHBondContact O-N 2.95Å; G163-L166 VanDerWaalsContact O-N 3.12Å; G163-V209 WeakPolarHBondContact O-CG2 3.42Å; G163-K347 PolarHBondContact O-NZ 2.71Å; G163-K347 VanDerWaalsContact O-NZ 3.08Å
164	D	98.3	Very high	98.7	Very high	122 Å²	122	35.8 Å²	35.8	65%	0.652	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-59.6	-32.5	178.2	-70.9	-18.2	0	0	0	112.5	Y162 K347	Y162-D164 VanDerWaalsContact C-N 3.29Å; Y162-D164 PolarHBondContact O-N 3.3Å; D164-K347 PolarHBondContact O-NZ 3.25Å
165	F	98.8	Very high	98.7	Very high	49 Å²	49	35.8 Å²	35.8	22%	0.215	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-85.8	-14	-178.5	-53.4	-66.8	0	0	0	113.9	V133 Q134 K137 A138 Y162 G163	V133-F165 HydrophobicContact CG1-CB 3.88Å; Q134-F165 HydrophobicContact CB-CD2 3.92Å; Q134-F165 HydrophobicContact CB-CE2 4.2Å; Q134-F165 HydrophobicContact CB-CG 4.21Å; Q134-F165 HydrophobicContact CG-CD1 4.31Å; Q134-F165 HydrophobicContact CG-CD2 3.92Å; Q134-F165 HydrophobicContact CG-CE1 4.13Å; Q134-F165 HydrophobicContact CG-CE2 3.73Å; Q134-F165 HydrophobicContact CG-CG 4.22Å; Q134-F165 HydrophobicContact CG-CZ 3.84Å; K137-F165 HydrophobicContact CB-CB 3.87Å; K137-F165 HydrophobicContact CB-CD1 4.26Å; K137-F165 WeakPolarHBondContact CB-O 3.45Å; K137-F165 HydrophobicContact CG-CB 4.3Å; K137-F165 WeakPolarHBondContact CG-O 3.44Å; A138-F165 HydrophobicContact CB-CD1 4.26Å; A138-F165 HydrophobicContact CB-CE1 4.04Å; Y162-F165 PolarHBondContact O-N 3.36Å; Y162-F165 VanDerWaalsContact O-N 3.12Å; G163-F165 PolarHBondContact O-N 3.38Å
166	L	98.8	Very high	98.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.151	C	C	.	.			trans	-93	127.4	-176.6	-174.1	65.8	0	0	0	110.6	V133 V145 I147 W158 G163 L169 V209 K347	V133-L166 HydrophobicContact CG1-CB 4.25Å; V133-L166 HydrophobicContact CG1-CD1 4.33Å; V145-L166 HydrophobicContact CG1-CD1 4.45Å; V145-L166 WeakPolarHBondContact O-CD1 3.47Å; I147-L166 HydrophobicContact CD1-CD1 3.7Å; I147-L166 HydrophobicContact CD1-CD2 3.94Å; I147-L166 HydrophobicContact CD1-CG 4.5Å; I147-L166 HydrophobicContact CG1-CD1 3.83Å; W158-L166 HydrophobicContact CH2-CD2 4.01Å; W158-L166 HydrophobicContact CZ3-CD2 3.85Å; G163-L166 PolarHBondContact O-N 2.95Å; G163-L166 VanDerWaalsContact O-N 3.12Å; L166-L169 HydrophobicContact CD2-CB 4Å; L166-V209 HydrophobicContact CB-CG1 4.49Å; L166-V209 HydrophobicContact CB-CG2 4.35Å; L166-V209 HydrophobicContact CD2-CG1 3.82Å; L166-V209 HydrophobicContact CG-CG1 4.01Å; L166-K347 WeakPolarHBondContact O-CD 3.47Å; L166-K347 VanDerWaalsContact O-CE 3.31Å; L166-K347 WeakPolarHBondContact O-CE 3.23Å; L166-K347 PolarHBondContact O-NZ 2.88Å
167	D	98.8	Very high	98.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.154	C	C	.	.	S	Bend	trans	-82.9	-53.2	174.2	-64.7	-82.4	0	0	0	111.2	K137 S144 V145 A210 K347	K137-D167 VanDerWaalsContact NZ-CG 3.26Å; K137-D167 IonicContact NZ-OD1 3.07Å; K137-D167 PolarHBondContact NZ-OD1 2.81Å; K137-D167 IonicContact NZ-OD2 2.74Å; K137-D167 PolarHBondContact NZ-OD2 3Å; S144-D167 WeakPolarHBondContact CA-OD2 3.42Å; V145-D167 PolarHBondContact N-OD2 2.88Å; V145-D167 WeakPolarHBondContact O-CB 3.35Å; V145-D167 PolarHBondContact O-N 3.5Å; D167-A210 WeakPolarHBondContact O-CB 3.41Å; D167-A210 PolarHBondContact O-N 3.41Å; D167-K347 HydrophobicContact CB-CB 4.26Å; D167-K347 HydrophobicContact CB-CG 4.44Å; D167-K347 WeakPolarHBondContact OD1-CG 3.11Å; D167-K347 PolarHBondContact OD1-N 3.01Å
168	I	98.9	Very high	98.6	Very high	2 Å²	2	28 Å²	28	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.8	-171	-52.6	169.4	0	0	0	110.9	V145 S146 I147 A210 K212 Y343 W345 M350	V145-I168 PolarHBondContact O-N 3.27Å; S146-I168 CarbonylContact C-O 3.59Å; S146-I168 WeakPolarHBondContact CA-O 3.42Å; S146-I168 WeakPolarHBondContact CB-O 3.46Å; I147-I168 PolarHBondContact N-O 2.96Å; I168-A210 CarbonylContact C-O 3.57Å; I168-A210 WeakPolarHBondContact CA-O 3.49Å; I168-A210 HydrophobicContact CG1-CB 4.1Å; I168-K212 HydrophobicContact CG2-CB 3.73Å; I168-K212 HydrophobicContact CG2-CD 4.19Å; I168-Y343 HydrophobicContact CD1-CE2 4.12Å; I168-Y343 VanDerWaalsContact CD1-OH 3.31Å; I168-Y343 WeakPolarHBondContact CD1-OH 3.33Å; I168-W345 HydrophobicContact CD1-CB 4.41Å; I168-M350 HydrophobicContact CD1-CE 3.69Å; I168-M350 HydrophobicContact CG1-CE 3.85Å
169	L	98.9	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.4	165.7	-177	60.3	0	0	0	109.8	F121 I147 I154 F159 L166 I171 I200 V209 A210 K212	F121-L169 HydrophobicContact CE2-CD1 4.4Å; I147-L169 HydrophobicContact CB-CD1 3.9Å; I147-L169 HydrophobicContact CG2-CD1 4.02Å; I154-L169 HydrophobicContact CD1-CD1 4.2Å; I154-L169 HydrophobicContact CD1-CD2 3.97Å; F159-L169 HydrophobicContact CE1-CD2 4.18Å; F159-L169 HydrophobicContact CE2-CD2 4.42Å; F159-L169 HydrophobicContact CZ-CD2 3.52Å; L166-L169 HydrophobicContact CD2-CB 4Å; L169-I171 HydrophobicContact CD1-CD1 4.12Å; L169-I171 HydrophobicContact CD2-CD1 4.07Å; L169-I171 HydrophobicContact CG-CD1 3.88Å; L169-I171 HydrophobicContact CG-CG1 4.42Å; L169-I200 HydrophobicContact CD2-CG2 3.6Å; L169-V209 HydrophobicContact CB-CG1 3.91Å; L169-A210 PolarHBondContact N-O 2.9Å; L169-K212 PolarHBondContact O-N 3.07Å
170	A	98.9	Very high	98.5	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.017	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.9	173.4	0	0	0	0	0	110.5	I147 V148 S149 K212	I147-A170 WeakPolarHBondContact O-CB 3.45Å; I147-A170 PolarHBondContact O-N 3.31Å; V148-A170 WeakPolarHBondContact CA-O 3.48Å; V148-A170 HydrophobicContact CB-CB 4.48Å; V148-A170 HydrophobicContact CG2-CB 3.91Å; S149-A170 PolarHBondContact N-O 3.34Å; A170-K212 CarbonylContact C-O 3.56Å; A170-K212 VanDerWaalsContact CA-O 3.26Å; A170-K212 WeakPolarHBondContact CA-O 3.37Å; A170-K212 HydrophobicContact CB-CB 3.89Å; A170-K212 HydrophobicContact CB-CD 3.82Å; A170-K212 HydrophobicContact CB-CG 3.66Å
171	I	98.8	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.9	171.8	-55.5	-56	0	0	0	109.4	S149 I154 L169 C173 L197 I200 F211 K212 I213 N214	S149-I171 WeakPolarHBondContact O-CA 3.45Å; I154-I171 HydrophobicContact CD1-CD1 3.81Å; L169-I171 HydrophobicContact CD1-CD1 4.12Å; L169-I171 HydrophobicContact CD2-CD1 4.07Å; L169-I171 HydrophobicContact CG-CD1 3.88Å; L169-I171 HydrophobicContact CG-CG1 4.42Å; I171-C173 PolarHBondContact O-N 3.09Å; I171-L197 HydrophobicContact CB-CD1 3.63Å; I171-L197 HydrophobicContact CG1-CD1 4.32Å; I171-L197 HydrophobicContact CG2-CD1 3.43Å; I171-L197 VanDerWaalsContact CG2-CD1 3.43Å; I171-I200 HydrophobicContact CD1-CD1 4.05Å; I171-I200 HydrophobicContact CD1-CG2 3.99Å; I171-I200 HydrophobicContact CG1-CD1 4.33Å; I171-I200 HydrophobicContact CG1-CG2 3.81Å; I171-F211 HydrophobicContact CB-CE2 4.31Å; I171-F211 HydrophobicContact CG1-CE2 3.83Å; I171-K212 PolarHBondContact N-O 2.92Å; I171-I213 WeakPolarHBondContact O-CA 3.44Å; I171-N214 PolarHBondContact O-N 3.28Å
172	S	98.7	Very high	98.3	Very high	16 Å²	16	29 Å²	29	11%	0.112	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	108.8	176.5	-55.6	0	0	0	0	109.6	S149 R186 H193 N214	S149-S172 PolarHBondContact O-N 3.46Å; S172-R186 PolarHBondContact O-NH1 3.26Å; S172-H193 PolarHBondContact O-CE1 3.07Å; S172-H193 VanDerWaalsContact O-CE1 3.29Å; S172-H193 PolarHBondContact O-NE2 3.38Å; S172-H193 VanDerWaalsContact O-NE2 3.14Å; S172-N214 CarbonylContact C-O 3.55Å; S172-N214 VanDerWaalsContact CA-O 3.28Å; S172-N214 WeakPolarHBondContact CA-O 3.23Å
173	C	98.6	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.			trans	-130.5	116.5	178.7	-178.4	0	0	0	0	107.7	I171 S175 L197 I213 N214 S215	I171-C173 PolarHBondContact O-N 3.09Å; C173-S175 PolarHBondContact SG-O 2.85Å; C173-S175 VanDerWaalsContact SG-O 3.39Å; C173-L197 HydrophobicContact CB-CD1 4.32Å; C173-L197 HydrophobicContact CB-CD2 3.87Å; C173-I213 HydrophobicContact CB-CG2 4.25Å; C173-N214 PolarHBondContact N-O 3.03Å; C173-S215 WeakPolarHBondContact O-CA 3.41Å; C173-S215 VanDerWaalsContact O-CB 3.31Å; C173-S215 WeakPolarHBondContact O-CB 3.38Å; C173-S215 PolarHBondContact O-OG 3.15Å
174	D	98.7	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.			trans	-103.6	-12.9	-176	-63.3	-12	0	0	0	112.4	F82 I184 R186 S215 V216 N221 M226	F82-D174 WeakPolarHBondContact CZ-OD2 3.24Å; D174-I184 HydrophobicContact CB-CD1 4.07Å; D174-R186 IonicContact OD1-CZ 3.65Å; D174-R186 IonicContact OD1-NE 3.99Å; D174-R186 IonicContact OD1-NH2 3.66Å; D174-R186 PolarHBondContact OD1-NH2 2.8Å; D174-R186 IonicContact OD2-CZ 3.66Å; D174-R186 IonicContact OD2-NE 3.52Å; D174-R186 PolarHBondContact OD2-NE 3.18Å; D174-R186 IonicContact OD2-NH2 3.23Å; D174-R186 PolarHBondContact OD2-NH2 3.37Å; D174-S215 VanDerWaalsContact OD1-CA 3.3Å; D174-S215 WeakPolarHBondContact OD1-CA 3.45Å; D174-V216 PolarHBondContact OD1-N 3.16Å; D174-N221 PolarHBondContact O-ND2 2.9Å; D174-M226 WeakPolarHBondContact O-CE 3.45Å
175	S	98.7	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.			trans	-155.4	144	-179.3	163.8	0	0	0	0	109.9	C173 D177 T180 N181 E224	C173-S175 PolarHBondContact SG-O 2.85Å; C173-S175 VanDerWaalsContact SG-O 3.39Å; S175-D177 VanDerWaalsContact C-N 3.33Å; S175-D177 WeakPolarHBondContact OG-CA 3.39Å; S175-D177 PolarHBondContact OG-N 2.94Å; S175-D177 PolarHBondContact OG-O 2.85Å; S175-T180 VanDerWaalsContact OG-CB 3.3Å; S175-T180 WeakPolarHBondContact OG-CB 3.28Å; S175-T180 WeakPolarHBondContact OG-CG2 3.36Å; S175-N181 PolarHBondContact O-ND2 2.96Å; S175-E224 WeakPolarHBondContact CA-OE2 3.44Å; S175-E224 WeakPolarHBondContact CB-OE2 3.28Å; S175-E224 PolarHBondContact OG-OE2 3.36Å
176	F	98.4	Very high	98	Very high	26 Å²	26	26.7 Å²	26.7	11%	0.114	13%	0.133	C	C	.	.	S	Bend	trans	-95.3	11.4	167.5	-66.3	-78.9	0	0	0	112.7	I194 L197 E224 M226 Q229 I230 L233	F176-I194 HydrophobicContact CD1-CG2 4.46Å; F176-I194 WeakPolarHBondContact O-CD1 3.17Å; F176-L197 HydrophobicContact CE1-CD2 3.73Å; F176-L197 HydrophobicContact CZ-CD2 4.3Å; F176-E224 PolarHBondContact N-OE1 2.83Å; F176-M226 HydrophobicContact CD2-CB 3.96Å; F176-M226 HydrophobicContact CD2-CG 3.95Å; F176-M226 HydrophobicContact CD2-SD 4.32Å; F176-M226 HydrophobicContact CE2-CB 3.95Å; F176-M226 HydrophobicContact CE2-CG 4.25Å; F176-M226 HydrophobicContact CE2-SD 4.31Å; F176-Q229 HydrophobicContact CB-CB 4.45Å; F176-Q229 HydrophobicContact CB-CG 3.95Å; F176-Q229 HydrophobicContact CD1-CB 3.54Å; F176-Q229 HydrophobicContact CD1-CG 3.76Å; F176-Q229 HydrophobicContact CD2-CB 3.71Å; F176-Q229 HydrophobicContact CD2-CG 4.11Å; F176-Q229 HydrophobicContact CE1-CB 3.53Å; F176-Q229 HydrophobicContact CE1-CG 4.27Å; F176-Q229 HydrophobicContact CE2-CB 3.71Å; F176-Q229 HydrophobicContact CG-CB 3.63Å; F176-Q229 HydrophobicContact CG-CG 3.66Å; F176-Q229 HydrophobicContact CZ-CB 3.61Å; F176-I230 HydrophobicContact CE2-CD1 3.89Å; F176-I230 HydrophobicContact CE2-CG1 4.06Å; F176-I230 HydrophobicContact CZ-CD1 3.89Å; F176-I230 HydrophobicContact CZ-CG1 4.37Å; F176-L233 HydrophobicContact CE1-CD1 3.67Å; F176-L233 HydrophobicContact CZ-CD1 3.84Å
177	D	98.1	Very high	97.7	Very high	68 Å²	68	28.7 Å²	28.7	36%	0.364	15%	0.147	S	C	.	.	S	Bend	trans	-107.3	127.2	163.3	173.4	-111.8	0	0	0	111.2	S175 E179 T180 N181	S175-D177 VanDerWaalsContact C-N 3.33Å; S175-D177 WeakPolarHBondContact OG-CA 3.39Å; S175-D177 PolarHBondContact OG-N 2.94Å; S175-D177 PolarHBondContact OG-O 2.85Å; D177-E179 PolarHBondContact OD1-N 3.32Å; D177-T180 VanDerWaalsContact OD1-CB 3.23Å; D177-T180 WeakPolarHBondContact OD1-CB 3.4Å; D177-T180 PolarHBondContact OD1-N 2.77Å; D177-T180 PolarHBondContact OD1-OG1 3.44Å; D177-N181 PolarHBondContact O-N 3.21Å; D177-N181 PolarHBondContact O-ND2 3.42Å; D177-N181 VanDerWaalsContact O-ND2 3.16Å
178	E	96.7	Very high	97.2	Very high	46 Å²	46	31.1 Å²	31.1	22%	0.215	16%	0.158	C	C	.	.	H	α-helix	trans	-70.9	-32.6	-177.1	-72.7	-69.4	-178.1	0	0	112.4	N181 Q182 S192 H193 I194	E178-N181 PolarHBondContact O-N 3.44Å; E178-Q182 VanDerWaalsContact O-CG 3.29Å; E178-Q182 WeakPolarHBondContact O-CG 3.09Å; E178-Q182 PolarHBondContact O-N 3.12Å; E178-S192 WeakPolarHBondContact OE1-CA 3.35Å; E178-S192 VanDerWaalsContact OE1-CB 3.32Å; E178-S192 WeakPolarHBondContact OE1-CB 3.27Å; E178-S192 PolarHBondContact OE1-OG 2.85Å; E178-H193 PolarHBondContact OE1-N 2.98Å; E178-I194 HydrophobicContact CG-CD1 3.85Å; E178-I194 HydrophobicContact CG-CG1 4.4Å; E178-I194 WeakPolarHBondContact OE1-CG1 3.42Å; E178-I194 PolarHBondContact OE1-N 2.81Å
179	E	97	Very high	96.6	Very high	138 Å²	138	34.7 Å²	34.7	65%	0.645	20%	0.195	S	C	*	.	H	α-helix	trans	-66.1	-42.5	177	-64.8	-171	174.4	0	0	110.6	D177 N181 Q182 M183	D177-E179 PolarHBondContact OD1-N 3.32Å; E179-N181 PolarHBondContact O-N 3.43Å; E179-Q182 WeakPolarHBondContact O-CA 3.09Å; E179-Q182 WeakPolarHBondContact O-CB 3.26Å; E179-Q182 PolarHBondContact O-N 2.8Å; E179-Q182 VanDerWaalsContact O-N 3.1Å; E179-M183 WeakPolarHBondContact O-CG 3.36Å; E179-M183 PolarHBondContact O-N 2.91Å
180	T	98.2	Very high	95.9	Very high	15 Å²	15	40.9 Å²	40.9	9%	0.092	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-43	173.7	-62.1	0	0	0	0	111.5	S175 D177 Q182 M183 I184 F220 N221	S175-T180 VanDerWaalsContact OG-CB 3.3Å; S175-T180 WeakPolarHBondContact OG-CB 3.28Å; S175-T180 WeakPolarHBondContact OG-CG2 3.36Å; D177-T180 VanDerWaalsContact OD1-CB 3.23Å; D177-T180 WeakPolarHBondContact OD1-CB 3.4Å; D177-T180 PolarHBondContact OD1-N 2.77Å; D177-T180 PolarHBondContact OD1-OG1 3.44Å; T180-Q182 VanDerWaalsContact C-N 3.3Å; T180-Q182 PolarHBondContact O-N 2.7Å; T180-M183 PolarHBondContact O-N 3.17Å; T180-I184 HydrophobicContact CG2-CD1 4.03Å; T180-I184 WeakPolarHBondContact O-CB 3.45Å; T180-I184 WeakPolarHBondContact O-CG1 3.18Å; T180-I184 PolarHBondContact O-N 2.76Å; T180-F220 HydrophobicContact CG2-CB 4.07Å; T180-N221 HydrophobicContact CG2-CB 4.32Å
181	N	98	Very high	95.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-38.1	172.3	-78.9	-49.2	0	0	0	112.3	S175 D177 E178 E179 I184 G185 R186	S175-N181 PolarHBondContact O-ND2 2.96Å; D177-N181 PolarHBondContact O-N 3.21Å; D177-N181 PolarHBondContact O-ND2 3.42Å; D177-N181 VanDerWaalsContact O-ND2 3.16Å; E178-N181 PolarHBondContact O-N 3.44Å; E179-N181 PolarHBondContact O-N 3.43Å; N181-I184 PolarHBondContact O-N 3.32Å; N181-G185 PolarHBondContact O-N 2.7Å; N181-R186 HydrophobicContact CB-CB 4.14Å; N181-R186 PolarHBondContact O-N 3.26Å
182	Q	96.4	Very high	95.2	Very high	120 Å²	120	47.6 Å²	47.6	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-65.3	-45.2	174.7	-71.5	171.5	47.4	0	0	112	E178 E179 T180 I184 G185 C187	E178-Q182 VanDerWaalsContact O-CG 3.29Å; E178-Q182 WeakPolarHBondContact O-CG 3.09Å; E178-Q182 PolarHBondContact O-N 3.12Å; E179-Q182 WeakPolarHBondContact O-CA 3.09Å; E179-Q182 WeakPolarHBondContact O-CB 3.26Å; E179-Q182 PolarHBondContact O-N 2.8Å; E179-Q182 VanDerWaalsContact O-N 3.1Å; T180-Q182 VanDerWaalsContact C-N 3.3Å; T180-Q182 PolarHBondContact O-N 2.7Å; Q182-I184 VanDerWaalsContact C-N 3.27Å; Q182-I184 PolarHBondContact O-N 2.74Å; Q182-G185 PolarHBondContact O-N 3.36Å; Q182-C187 HydrophobicContact CG-CB 4.23Å
183	M	96.8	Very high	95.1	Very high	96 Å²	96	47 Å²	47	47%	0.473	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-39.9	175.3	-71.2	-168.9	-72.6	0	0	111.9	E179 T180 G185 F220	E179-M183 WeakPolarHBondContact O-CG 3.36Å; E179-M183 PolarHBondContact O-N 2.91Å; T180-M183 PolarHBondContact O-N 3.17Å; M183-G185 VanDerWaalsContact C-N 3.29Å; M183-G185 PolarHBondContact O-N 2.71Å; M183-F220 HydrophobicContact CB-CD1 4.28Å; M183-F220 HydrophobicContact CB-CE1 4.5Å; M183-F220 HydrophobicContact CE-CD1 4.25Å; M183-F220 HydrophobicContact SD-CD1 4.1Å; M183-F220 HydrophobicContact SD-CE1 4.33Å
184	I	97.8	Very high	95.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-32.5	174.7	-74.3	169.4	0	0	0	112	C80 G81 F82 D174 T180 N181 Q182 R186 F220 F262	C80-I184 CarbonylContact C-O 3.53Å; C80-I184 VanDerWaalsContact CA-O 3.28Å; C80-I184 WeakPolarHBondContact CA-O 3.46Å; G81-I184 PolarHBondContact N-O 2.99Å; F82-I184 HydrophobicContact CD1-CG2 4.39Å; F82-I184 HydrophobicContact CE1-CB 4.36Å; F82-I184 HydrophobicContact CE1-CG1 4.28Å; F82-I184 HydrophobicContact CE1-CG2 3.3Å; F82-I184 HydrophobicContact CZ-CG2 3.48Å; F82-I184 VanDerWaalsContact CZ-CG2 3.48Å; D174-I184 HydrophobicContact CB-CD1 4.07Å; T180-I184 HydrophobicContact CG2-CD1 4.03Å; T180-I184 WeakPolarHBondContact O-CB 3.45Å; T180-I184 WeakPolarHBondContact O-CG1 3.18Å; T180-I184 PolarHBondContact O-N 2.76Å; N181-I184 PolarHBondContact O-N 3.32Å; Q182-I184 VanDerWaalsContact C-N 3.27Å; Q182-I184 PolarHBondContact O-N 2.74Å; I184-R186 HydrophobicContact CG2-CB 4.23Å; I184-R186 HydrophobicContact CG2-CG 3.86Å; I184-F220 HydrophobicContact CG1-CB 4.25Å; I184-F220 HydrophobicContact CG1-CD2 4.22Å; I184-F262 HydrophobicContact CG1-CE1 4.36Å
185	G	96.9	Very high	95	Very high	12 Å²	12	55.4 Å²	55.4	12%	0.124	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	18.5	-171.6	0	0	0	0	0	113.9	K79 C80 N181 Q182 M183 C187	K79-G185 CarbonylContact C-O 3.59Å; K79-G185 PolarHBondContact N-O 3.02Å; C80-G185 PolarHBondContact N-O 3.35Å; N181-G185 PolarHBondContact O-N 2.7Å; Q182-G185 PolarHBondContact O-N 3.36Å; M183-G185 VanDerWaalsContact C-N 3.29Å; M183-G185 PolarHBondContact O-N 2.71Å; G185-C187 VanDerWaalsContact C-N 3.26Å; G185-C187 PolarHBondContact O-N 3.43Å
186	R	96.7	Very high	94.9	Very high	17 Å²	17	56.2 Å²	56.2	6%	0.064	31%	0.311	C	S	.	.			trans	-86.4	52.3	173	-87.7	-165.8	-174.9	-84	-0.7	112.7	Y78 C80 S172 D174 N181 I184	Y78-R186 HydrophobicContact CD2-CB 4.2Å; Y78-R186 HydrophobicContact CD2-CG 4.17Å; Y78-R186 VanDerWaalsContact CE2-C 3.49Å; Y78-R186 HydrophobicContact CE2-CB 4.15Å; Y78-R186 HydrophobicContact CE2-CG 4.41Å; C80-R186 WeakPolarHBondContact SG-CG 3.26Å; S172-R186 PolarHBondContact O-NH1 3.26Å; D174-R186 IonicContact OD1-CZ 3.65Å; D174-R186 IonicContact OD1-NE 3.99Å; D174-R186 IonicContact OD1-NH2 3.66Å; D174-R186 PolarHBondContact OD1-NH2 2.8Å; D174-R186 IonicContact OD2-CZ 3.66Å; D174-R186 IonicContact OD2-NE 3.52Å; D174-R186 PolarHBondContact OD2-NE 3.18Å; D174-R186 IonicContact OD2-NH2 3.23Å; D174-R186 PolarHBondContact OD2-NH2 3.37Å; N181-R186 HydrophobicContact CB-CB 4.14Å; N181-R186 PolarHBondContact O-N 3.26Å; I184-R186 HydrophobicContact CG2-CB 4.23Å; I184-R186 HydrophobicContact CG2-CG 3.86Å
187	C	92.1	Very high	94.9	Very high	43 Å²	43	55 Å²	55	29%	0.291	31%	0.306	S	S	.	.			trans	-139.5	158.5	-178.1	60.9	0	0	0	0	111.5	Y78 Q182 G185	Y78-C187 WeakPolarHBondContact CD1-O 3.16Å; Q182-C187 HydrophobicContact CG-CB 4.23Å; G185-C187 VanDerWaalsContact C-N 3.26Å; G185-C187 PolarHBondContact O-N 3.43Å
188	Q	87.4	Confident	94.9	Very high	52 Å²	52	54.9 Å²	54.9	24%	0.243	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-141.6	99.9	169.8	-178.4	-170.9	58.3	0	0	110	N77 Y78 K191	N77-Q188 PolarHBondContact ND2-NE2 2.7Å; Y78-Q188 HydrophobicContact CD1-CB 4.08Å; Y78-Q188 HydrophobicContact CE1-CB 3.64Å; Q188-K191 PolarHBondContact O-N 2.84Å
189	G	86.2	Confident	95	Very high	76 Å²	76	56.8 Å²	56.8	78%	0.784	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	-138.9	-176.7	0	0	0	0	0	110.9	K191	G189-K191 VanDerWaalsContact C-N 3.35Å
190	S	84.3	Confident	95.1	Very high	130 Å²	130	50.2 Å²	50.2	91%	0.909	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	8.3	-179.2	57.2	0	0	0	0	114.8
191	K	89.9	Confident	95.1	Very high	115 Å²	115	51.3 Å²	51.3	50%	0.5	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-79	126.8	-178.1	-62.7	177.3	-172	164.8	0	110.3	Q188 G189 H193	Q188-K191 PolarHBondContact O-N 2.84Å; G189-K191 VanDerWaalsContact C-N 3.35Å; K191-H193 PolarHBondContact O-N 3.35Å
192	S	94.2	Very high	95.1	Very high	29 Å²	29	54 Å²	54	20%	0.203	30%	0.3	C	S	.	.			trans	-63.4	129.9	170.8	166.9	0	0	0	0	111	E178 I194 E195 N196	E178-S192 WeakPolarHBondContact OE1-CA 3.35Å; E178-S192 VanDerWaalsContact OE1-CB 3.32Å; E178-S192 WeakPolarHBondContact OE1-CB 3.27Å; E178-S192 PolarHBondContact OE1-OG 2.85Å; S192-I194 PolarHBondContact OG-N 2.8Å; S192-E195 WeakPolarHBondContact OG-CB 3.32Å; S192-E195 WeakPolarHBondContact OG-CG 3.49Å; S192-E195 PolarHBondContact OG-N 2.93Å; S192-N196 WeakPolarHBondContact O-CB 3.25Å
193	H	96.1	Very high	95.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-72.8	-40.5	172.6	-177.5	69.4	0	0	0	110.3	Y78 N150 S172 E178 K191 N196 L197	Y78-H193 AromaticContact CE2-ND1 3.81Å; Y78-H193 AromaticContact CZ-ND1 3.95Å; Y78-H193 PolarHBondContact OH-ND1 3.04Å; N150-H193 PolarHBondContact O-CE1 3.2Å; S172-H193 PolarHBondContact O-CE1 3.07Å; S172-H193 VanDerWaalsContact O-CE1 3.29Å; S172-H193 PolarHBondContact O-NE2 3.38Å; S172-H193 VanDerWaalsContact O-NE2 3.14Å; E178-H193 PolarHBondContact OE1-N 2.98Å; K191-H193 PolarHBondContact O-N 3.35Å; H193-N196 PolarHBondContact O-N 2.97Å; H193-L197 PolarHBondContact O-N 3.05Å
194	I	97.4	Very high	95.3	Very high	29 Å²	29	44.8 Å²	44.8	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-70	-48.6	-174.8	-58.1	172.2	0	0	0	111.1	F176 E178 S192 N196 L197 F198	F176-I194 HydrophobicContact CD1-CG2 4.46Å; F176-I194 WeakPolarHBondContact O-CD1 3.17Å; E178-I194 HydrophobicContact CG-CD1 3.85Å; E178-I194 HydrophobicContact CG-CG1 4.4Å; E178-I194 WeakPolarHBondContact OE1-CG1 3.42Å; E178-I194 PolarHBondContact OE1-N 2.81Å; S192-I194 PolarHBondContact OG-N 2.8Å; I194-N196 PolarHBondContact O-N 2.87Å; I194-L197 VanDerWaalsContact O-CB 3.28Å; I194-L197 WeakPolarHBondContact O-CB 3.38Å; I194-L197 PolarHBondContact O-N 2.8Å; I194-F198 HydrophobicContact CG2-CD2 3.93Å; I194-F198 HydrophobicContact CG2-CE2 3.77Å; I194-F198 WeakPolarHBondContact O-CD2 3.48Å; I194-F198 PolarHBondContact O-N 3.19Å; I194-F198 VanDerWaalsContact O-N 3.09Å
195	E	96.9	Very high	95.3	Very high	148 Å²	148	49.1 Å²	49.1	69%	0.692	28%	0.275	S	S	*	.	H	α-helix	trans	-56.3	-38.4	174.9	-71.4	177.3	178.1	0	0	111.3	S192 K199	S192-E195 WeakPolarHBondContact OG-CB 3.32Å; S192-E195 WeakPolarHBondContact OG-CG 3.49Å; S192-E195 PolarHBondContact OG-N 2.93Å; E195-K199 WeakPolarHBondContact O-CB 3.13Å; E195-K199 PolarHBondContact O-N 3.12Å
196	N	97.2	Very high	95.3	Very high	18 Å²	18	53.8 Å²	53.8	10%	0.096	29%	0.293	C	S	.	.	H	α-helix	trans	-69.6	-36.1	178.3	-168.2	69.3	0	0	0	112.4	G151 S192 H193 I194 K199 I200	G151-N196 PolarHBondContact O-ND2 3.47Å; S192-N196 WeakPolarHBondContact O-CB 3.25Å; H193-N196 PolarHBondContact O-N 2.97Å; I194-N196 PolarHBondContact O-N 2.87Å; N196-K199 PolarHBondContact O-N 3.08Å; N196-K199 VanDerWaalsContact OD1-CE 3.24Å; N196-K199 WeakPolarHBondContact OD1-CE 3.39Å; N196-K199 PolarHBondContact OD1-NZ 2.98Å; N196-I200 WeakPolarHBondContact ND2-CD1 3.49Å; N196-I200 WeakPolarHBondContact O-CD1 3.36Å; N196-I200 VanDerWaalsContact O-CG1 3.27Å; N196-I200 WeakPolarHBondContact O-CG1 3.44Å; N196-I200 PolarHBondContact O-N 3.29Å
197	L	98.4	Very high	95.4	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-50.4	173.5	-178.9	69.7	0	0	0	111.3	I171 C173 F176 H193 I194 K199 I200 R201 F211 L233	I171-L197 HydrophobicContact CB-CD1 3.63Å; I171-L197 HydrophobicContact CG1-CD1 4.32Å; I171-L197 HydrophobicContact CG2-CD1 3.43Å; I171-L197 VanDerWaalsContact CG2-CD1 3.43Å; C173-L197 HydrophobicContact CB-CD1 4.32Å; C173-L197 HydrophobicContact CB-CD2 3.87Å; F176-L197 HydrophobicContact CE1-CD2 3.73Å; F176-L197 HydrophobicContact CZ-CD2 4.3Å; H193-L197 PolarHBondContact O-N 3.05Å; I194-L197 VanDerWaalsContact O-CB 3.28Å; I194-L197 WeakPolarHBondContact O-CB 3.38Å; I194-L197 PolarHBondContact O-N 2.8Å; L197-K199 VanDerWaalsContact C-N 3.35Å; L197-K199 PolarHBondContact O-N 3.06Å; L197-I200 PolarHBondContact O-N 2.83Å; L197-R201 PolarHBondContact O-N 3.18Å; L197-F211 HydrophobicContact CD1-CE2 4.32Å; L197-F211 HydrophobicContact CD1-CZ 3.7Å; L197-F211 HydrophobicContact CG-CZ 4.36Å; L197-L233 HydrophobicContact CD2-CD1 3.55Å; L197-L233 HydrophobicContact CG-CD1 4.06Å
198	F	98.4	Very high	95.7	Very high	65 Å²	65	58.4 Å²	58.4	29%	0.285	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-40.8	177.8	-81.4	-83.3	0	0	0	112.4	I194 I200 R201 S202 Q232 L233	I194-F198 HydrophobicContact CG2-CD2 3.93Å; I194-F198 HydrophobicContact CG2-CE2 3.77Å; I194-F198 WeakPolarHBondContact O-CD2 3.48Å; I194-F198 PolarHBondContact O-N 3.19Å; I194-F198 VanDerWaalsContact O-N 3.09Å; F198-I200 PolarHBondContact O-N 3.42Å; F198-R201 WeakPolarHBondContact O-CB 3.37Å; F198-R201 PolarHBondContact O-N 3.14Å; F198-S202 PolarHBondContact O-N 3.27Å; F198-Q232 HydrophobicContact CE1-CG 4.14Å; F198-L233 HydrophobicContact CD1-CD2 3.52Å; F198-L233 HydrophobicContact CD1-CG 4.34Å; F198-L233 HydrophobicContact CD2-CD2 4.49Å; F198-L233 HydrophobicContact CE1-CD2 3.53Å; F198-L233 HydrophobicContact CE1-CG 3.82Å; F198-L233 HydrophobicContact CE2-CD2 4.49Å; F198-L233 HydrophobicContact CG-CD2 4.03Å; F198-L233 HydrophobicContact CZ-CD1 4.32Å; F198-L233 HydrophobicContact CZ-CD2 4.04Å; F198-L233 HydrophobicContact CZ-CG 4Å
199	K	98.4	Very high	96.2	Very high	85 Å²	85	55.9 Å²	55.9	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-39.1	174.1	-179.3	-177.8	69.7	-143.8	0	112.7	E195 N196 L197 R201 S202 W203	E195-K199 WeakPolarHBondContact O-CB 3.13Å; E195-K199 PolarHBondContact O-N 3.12Å; N196-K199 PolarHBondContact O-N 3.08Å; N196-K199 VanDerWaalsContact OD1-CE 3.24Å; N196-K199 WeakPolarHBondContact OD1-CE 3.39Å; N196-K199 PolarHBondContact OD1-NZ 2.98Å; L197-K199 VanDerWaalsContact C-N 3.35Å; L197-K199 PolarHBondContact O-N 3.06Å; K199-R201 VanDerWaalsContact C-N 3.33Å; K199-S202 PolarHBondContact O-N 2.98Å; K199-S202 PolarHBondContact O-OG 3.31Å; K199-W203 HydrophobicContact CD-CH2 3.73Å; K199-W203 HydrophobicContact CD-CZ2 3.67Å; K199-W203 HydrophobicContact CD-CZ3 4.44Å; K199-W203 VanDerWaalsContact CE-CH2 3.4Å; K199-W203 HydrophobicContact CG-CD2 4.3Å; K199-W203 HydrophobicContact CG-CE3 4.48Å; K199-W203 HydrophobicContact CG-CH2 3.95Å; K199-W203 HydrophobicContact CG-CZ2 3.7Å; K199-W203 HydrophobicContact CG-CZ3 4.32Å; K199-W203 PolarHBondContact O-N 2.92Å; K199-W203 VanDerWaalsContact O-N 3.17Å
200	I	98.6	Very high	96.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-68.4	-37.7	175.2	-70	161	0	0	0	110.6	G151 I154 F159 L169 I171 N196 L197 F198 S202 W203 C204 F211	G151-I200 VanDerWaalsContact CA-CD1 3.48Å; G151-I200 WeakPolarHBondContact O-CD1 3.35Å; I154-I200 HydrophobicContact CB-CD1 4.31Å; I154-I200 HydrophobicContact CB-CG1 4.46Å; I154-I200 HydrophobicContact CD1-CD1 4.08Å; F159-I200 HydrophobicContact CZ-CG2 4.37Å; L169-I200 HydrophobicContact CD2-CG2 3.6Å; I171-I200 HydrophobicContact CD1-CD1 4.05Å; I171-I200 HydrophobicContact CD1-CG2 3.99Å; I171-I200 HydrophobicContact CG1-CD1 4.33Å; I171-I200 HydrophobicContact CG1-CG2 3.81Å; N196-I200 WeakPolarHBondContact ND2-CD1 3.49Å; N196-I200 WeakPolarHBondContact O-CD1 3.36Å; N196-I200 VanDerWaalsContact O-CG1 3.27Å; N196-I200 WeakPolarHBondContact O-CG1 3.44Å; N196-I200 PolarHBondContact O-N 3.29Å; L197-I200 PolarHBondContact O-N 2.83Å; F198-I200 PolarHBondContact O-N 3.42Å; I200-S202 VanDerWaalsContact C-N 3.3Å; I200-S202 PolarHBondContact O-N 2.79Å; I200-W203 HydrophobicContact CG1-CE3 4.03Å; I200-W203 HydrophobicContact CG1-CZ3 4.12Å; I200-W203 PolarHBondContact O-N 3.19Å; I200-C204 PolarHBondContact O-N 3.37Å; I200-C204 PolarHBondContact O-SG 2.9Å; I200-F211 HydrophobicContact CG2-CE2 4.3Å
201	R	98.3	Very high	97.5	Very high	39 Å²	39	46.2 Å²	46.2	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-42.7	175	173.4	62.6	-173.8	104.5	-6.9	111.7	L197 F198 K199 C204 Q205 F211 L233	L197-R201 PolarHBondContact O-N 3.18Å; F198-R201 WeakPolarHBondContact O-CB 3.37Å; F198-R201 PolarHBondContact O-N 3.14Å; K199-R201 VanDerWaalsContact C-N 3.33Å; R201-C204 PolarHBondContact O-N 2.89Å; R201-Q205 PolarHBondContact O-N 3.26Å; R201-Q205 VanDerWaalsContact O-N 3.1Å; R201-F211 HydrophobicContact CB-CE1 4.31Å; R201-F211 HydrophobicContact CB-CE2 4.29Å; R201-F211 HydrophobicContact CB-CZ 4.15Å; R201-F211 HydrophobicContact CG-CD1 4.43Å; R201-F211 HydrophobicContact CG-CE1 4.48Å; R201-L233 HydrophobicContact CB-CD2 3.81Å; R201-L233 WeakPolarHBondContact CD-O 3.02Å; R201-L233 HydrophobicContact CG-CD2 3.9Å; R201-L233 PolarHBondContact NE-O 3.25Å
202	S	98.4	Very high	97.9	Very high	55 Å²	55	41.9 Å²	41.9	39%	0.385	20%	0.198	S	C	.	.	H	α-helix	trans	-65.6	-40.1	177.2	68.9	0	0	0	0	111.9	F198 K199 I200 Q205 Q206	F198-S202 PolarHBondContact O-N 3.27Å; K199-S202 PolarHBondContact O-N 2.98Å; K199-S202 PolarHBondContact O-OG 3.31Å; I200-S202 VanDerWaalsContact C-N 3.3Å; I200-S202 PolarHBondContact O-N 2.79Å; S202-Q205 WeakPolarHBondContact O-CB 3.38Å; S202-Q205 PolarHBondContact O-N 2.99Å; S202-Q206 WeakPolarHBondContact O-CB 3.18Å; S202-Q206 PolarHBondContact O-N 2.57Å
203	W	98.7	Very high	98.2	Very high	24 Å²	24	40.5 Å²	40.5	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-39.9	173.1	-64.9	-30.7	0	0	0	112.5	I154 E156 F159 K199 I200 Q205 Q206 Y207	I154-W203 HydrophobicContact CG2-CE3 4.35Å; I154-W203 HydrophobicContact CG2-CZ3 4.17Å; E156-W203 HydrophobicContact CB-CD2 4.26Å; E156-W203 HydrophobicContact CB-CH2 4.44Å; E156-W203 HydrophobicContact CB-CZ2 3.75Å; E156-W203 HydrophobicContact CG-CG 4.42Å; E156-W203 PolarHBondContact OE2-NE1 3.02Å; F159-W203 HydrophobicContact CD1-CB 4.42Å; F159-W203 HydrophobicContact CD2-CB 3.94Å; F159-W203 HydrophobicContact CD2-CD2 4.45Å; F159-W203 HydrophobicContact CD2-CE3 4.18Å; F159-W203 HydrophobicContact CD2-CG 4.41Å; F159-W203 HydrophobicContact CE1-CB 4.26Å; F159-W203 HydrophobicContact CE2-CB 3.75Å; F159-W203 HydrophobicContact CE2-CD2 4.31Å; F159-W203 AromaticContact CE2-CE3 3.74Å; F159-W203 HydrophobicContact CE2-CE3 3.74Å; F159-W203 HydrophobicContact CE2-CG 4.37Å; F159-W203 HydrophobicContact CG-CB 4.26Å; F159-W203 HydrophobicContact CZ-CB 3.91Å; K199-W203 HydrophobicContact CD-CH2 3.73Å; K199-W203 HydrophobicContact CD-CZ2 3.67Å; K199-W203 HydrophobicContact CD-CZ3 4.44Å; K199-W203 VanDerWaalsContact CE-CH2 3.4Å; K199-W203 HydrophobicContact CG-CD2 4.3Å; K199-W203 HydrophobicContact CG-CE3 4.48Å; K199-W203 HydrophobicContact CG-CH2 3.95Å; K199-W203 HydrophobicContact CG-CZ2 3.7Å; K199-W203 HydrophobicContact CG-CZ3 4.32Å; K199-W203 PolarHBondContact O-N 2.92Å; K199-W203 VanDerWaalsContact O-N 3.17Å; I200-W203 HydrophobicContact CG1-CE3 4.03Å; I200-W203 HydrophobicContact CG1-CZ3 4.12Å; I200-W203 PolarHBondContact O-N 3.19Å; W203-Q205 PolarHBondContact O-N 2.99Å; W203-Q206 PolarHBondContact O-N 3.39Å; W203-Y207 HydrophobicContact CB-CD2 4.28Å; W203-Y207 WeakPolarHBondContact O-CB 3.39Å; W203-Y207 VanDerWaalsContact O-CD2 3.29Å; W203-Y207 WeakPolarHBondContact O-CD2 3.46Å; W203-Y207 PolarHBondContact O-N 2.96Å
204	C	98.5	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-37.9	175.2	-68.2	0	0	0	0	111.6	I200 R201 K208 V209 F211	I200-C204 PolarHBondContact O-N 3.37Å; I200-C204 PolarHBondContact O-SG 2.9Å; R201-C204 PolarHBondContact O-N 2.89Å; C204-K208 PolarHBondContact O-N 3.33Å; C204-K208 VanDerWaalsContact O-N 3.11Å; C204-V209 HydrophobicContact CB-CB 4.39Å; C204-V209 WeakPolarHBondContact CB-O 3.11Å; C204-V209 PolarHBondContact O-N 2.58Å; C204-V209 VanDerWaalsContact O-O 3.14Å; C204-F211 HydrophobicContact CB-CB 3.97Å; C204-F211 HydrophobicContact CB-CD2 4.31Å
205	Q	97.8	Very high	98.4	Very high	91 Å²	91	39.6 Å²	39.6	43%	0.425	18%	0.184	S	C	.	.	H	α-helix	trans	-65.6	-57.1	173.6	-166.8	165.9	4.4	0	0	111.5	R201 S202 W203 Y207 K208 W354	R201-Q205 PolarHBondContact O-N 3.26Å; R201-Q205 VanDerWaalsContact O-N 3.1Å; S202-Q205 WeakPolarHBondContact O-CB 3.38Å; S202-Q205 PolarHBondContact O-N 2.99Å; W203-Q205 PolarHBondContact O-N 2.99Å; Q205-Y207 PolarHBondContact O-N 3.46Å; Q205-K208 PolarHBondContact O-N 3.02Å; Q205-K208 VanDerWaalsContact O-N 3.14Å; Q205-W354 HydrophobicContact CG-CB 4.21Å
206	Q	98.1	Very high	98.4	Very high	110 Å²	110	33.9 Å²	33.9	51%	0.514	16%	0.159	S	C	.	.	H	α-helix	trans	-56	-38.1	-177.3	-178.5	-177.1	-16	0	0	113.3	E156 S202 W203	E156-Q206 PolarHBondContact OE1-NE2 3.35Å; S202-Q206 WeakPolarHBondContact O-CB 3.18Å; S202-Q206 PolarHBondContact O-N 2.57Å; W203-Q206 PolarHBondContact O-N 3.39Å
207	Y	98.3	Very high	98.5	Very high	39 Å²	39	33 Å²	33	15%	0.153	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	16.5	-176.1	-65.5	-79.4	0	0	0	113.6	E156 F159 Q160 W203 Q205 V209	E156-Y207 HydrophobicContact CG-CE2 3.69Å; E156-Y207 PolarHBondContact OE1-OH 3.24Å; E156-Y207 VanDerWaalsContact OE1-OH 3.07Å; F159-Y207 HydrophobicContact CB-CD1 4.08Å; F159-Y207 HydrophobicContact CB-CD2 3.46Å; F159-Y207 VanDerWaalsContact CB-CD2 3.46Å; F159-Y207 HydrophobicContact CB-CE1 4.48Å; F159-Y207 HydrophobicContact CB-CE2 3.92Å; F159-Y207 HydrophobicContact CB-CG 3.56Å; F159-Y207 HydrophobicContact CD1-CD2 4.22Å; F159-Y207 HydrophobicContact CD1-CG 4.27Å; F159-Y207 AromaticContact CG-CD2 4Å; F159-Y207 HydrophobicContact CG-CD2 4Å; F159-Y207 HydrophobicContact CG-CG 4.28Å; Q160-Y207 HydrophobicContact CB-CE1 4.4Å; Q160-Y207 HydrophobicContact CG-CE1 3.69Å; Q160-Y207 WeakPolarHBondContact CG-OH 3.31Å; Q160-Y207 PolarHBondContact NE2-OH 3.26Å; W203-Y207 HydrophobicContact CB-CD2 4.28Å; W203-Y207 WeakPolarHBondContact O-CB 3.39Å; W203-Y207 VanDerWaalsContact O-CD2 3.29Å; W203-Y207 WeakPolarHBondContact O-CD2 3.46Å; W203-Y207 PolarHBondContact O-N 2.96Å; Q205-Y207 PolarHBondContact O-N 3.46Å; Y207-V209 PolarHBondContact O-N 2.93Å
208	K	98.1	Very high	98.5	Very high	118 Å²	118	33 Å²	33	51%	0.513	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	49.3	167.2	-60.7	-171.1	163.6	-174	0	112.6	C204 Q205 K347 W354	C204-K208 PolarHBondContact O-N 3.33Å; C204-K208 VanDerWaalsContact O-N 3.11Å; Q205-K208 PolarHBondContact O-N 3.02Å; Q205-K208 VanDerWaalsContact O-N 3.14Å; K208-K347 WeakPolarHBondContact O-CD 3.47Å; K208-K347 PolarHBondContact O-NZ 3Å; K208-W354 VanDerWaalsContact CA-CE3 3.41Å; K208-W354 HydrophobicContact CB-CD2 4.13Å; K208-W354 HydrophobicContact CB-CE3 3.38Å; K208-W354 HydrophobicContact CB-CH2 3.72Å; K208-W354 HydrophobicContact CB-CZ2 4.36Å; K208-W354 HydrophobicContact CB-CZ3 3.19Å; K208-W354 HydrophobicContact CD-CE3 4.02Å; K208-W354 HydrophobicContact CD-CZ3 3.55Å; K208-W354 HydrophobicContact CG-CD2 4.44Å; K208-W354 HydrophobicContact CG-CE3 3.38Å; K208-W354 HydrophobicContact CG-CH2 4.34Å; K208-W354 HydrophobicContact CG-CZ3 3.35Å
209	V	98.6	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.			trans	-119	131.7	177.3	176.9	0	0	0	0	108.5	F159 G163 L166 L169 C204 Y207 F211	F159-V209 HydrophobicContact CD1-CG2 4.19Å; F159-V209 HydrophobicContact CE1-CB 4.4Å; F159-V209 HydrophobicContact CE1-CG2 4.18Å; G163-V209 WeakPolarHBondContact O-CG2 3.42Å; L166-V209 HydrophobicContact CB-CG1 4.49Å; L166-V209 HydrophobicContact CB-CG2 4.35Å; L166-V209 HydrophobicContact CD2-CG1 3.82Å; L166-V209 HydrophobicContact CG-CG1 4.01Å; L169-V209 HydrophobicContact CB-CG1 3.91Å; C204-V209 HydrophobicContact CB-CB 4.39Å; C204-V209 WeakPolarHBondContact CB-O 3.11Å; C204-V209 PolarHBondContact O-N 2.58Å; C204-V209 VanDerWaalsContact O-O 3.14Å; Y207-V209 PolarHBondContact O-N 2.93Å; V209-F211 PolarHBondContact O-N 2.64Å
210	A	98.7	Very high	98.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.1	176.8	0	0	0	0	0	110.4	D167 I168 L169 V236 M350 L352	D167-A210 WeakPolarHBondContact O-CB 3.41Å; D167-A210 PolarHBondContact O-N 3.41Å; I168-A210 CarbonylContact C-O 3.57Å; I168-A210 WeakPolarHBondContact CA-O 3.49Å; I168-A210 HydrophobicContact CG1-CB 4.1Å; L169-A210 PolarHBondContact N-O 2.9Å; A210-V236 HydrophobicContact CB-CG1 4Å; A210-V236 HydrophobicContact CB-CG2 4.15Å; A210-M350 HydrophobicContact CB-CE 4.41Å; A210-M350 HydrophobicContact CB-SD 3.66Å; A210-L352 HydrophobicContact CB-CD1 3.6Å
211	F	98.6	Very high	98.6	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.1	-179.1	-178.7	-106.7	0	0	0	111.2	I171 L197 I200 R201 C204 V209 I213 L233 P235 V236	I171-F211 HydrophobicContact CB-CE2 4.31Å; I171-F211 HydrophobicContact CG1-CE2 3.83Å; L197-F211 HydrophobicContact CD1-CE2 4.32Å; L197-F211 HydrophobicContact CD1-CZ 3.7Å; L197-F211 HydrophobicContact CG-CZ 4.36Å; I200-F211 HydrophobicContact CG2-CE2 4.3Å; R201-F211 HydrophobicContact CB-CE1 4.31Å; R201-F211 HydrophobicContact CB-CE2 4.29Å; R201-F211 HydrophobicContact CB-CZ 4.15Å; R201-F211 HydrophobicContact CG-CD1 4.43Å; R201-F211 HydrophobicContact CG-CE1 4.48Å; C204-F211 HydrophobicContact CB-CB 3.97Å; C204-F211 HydrophobicContact CB-CD2 4.31Å; V209-F211 PolarHBondContact O-N 2.64Å; F211-I213 HydrophobicContact CD1-CG1 4.43Å; F211-I213 HydrophobicContact CE1-CD1 3.82Å; F211-I213 HydrophobicContact CE1-CG1 3.58Å; F211-I213 HydrophobicContact CZ-CD1 4.32Å; F211-I213 HydrophobicContact CZ-CG1 3.9Å; F211-L233 HydrophobicContact CE1-CB 4.23Å; F211-L233 HydrophobicContact CE1-CD2 4.45Å; F211-P235 HydrophobicContact CD1-CB 3.89Å; F211-P235 HydrophobicContact CE1-CB 4.29Å; F211-P235 CarbonylContact O-C 3.37Å; F211-P235 WeakPolarHBondContact O-CA 3.35Å; F211-V236 WeakPolarHBondContact O-CG2 3.35Å; F211-V236 PolarHBondContact O-N 3.04Å
212	K	98.8	Very high	98.6	Very high	23 Å²	23	30.7 Å²	30.7	10%	0.1	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.3	179.4	167.4	170.5	-179.3	-123.2	0	110	I168 L169 A170 I171 N214 R237	I168-K212 HydrophobicContact CG2-CB 3.73Å; I168-K212 HydrophobicContact CG2-CD 4.19Å; L169-K212 PolarHBondContact O-N 3.07Å; A170-K212 CarbonylContact C-O 3.56Å; A170-K212 VanDerWaalsContact CA-O 3.26Å; A170-K212 WeakPolarHBondContact CA-O 3.37Å; A170-K212 HydrophobicContact CB-CB 3.89Å; A170-K212 HydrophobicContact CB-CD 3.82Å; A170-K212 HydrophobicContact CB-CG 3.66Å; I171-K212 PolarHBondContact N-O 2.92Å; K212-N214 WeakPolarHBondContact CE-OD1 3.43Å; K212-N214 PolarHBondContact NZ-OD1 2.91Å; K212-R237 WeakPolarHBondContact CA-O 3.48Å; K212-R237 HydrophobicContact CD-CB 4.24Å; K212-R237 HydrophobicContact CG-CB 4.3Å; K212-R237 WeakPolarHBondContact CG-O 3.35Å
213	I	98.9	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.2	170.6	-62.2	175.8	0	0	0	109.4	I171 C173 F211 I230 L233 P235 R237 W238 K239	I171-I213 WeakPolarHBondContact O-CA 3.44Å; C173-I213 HydrophobicContact CB-CG2 4.25Å; F211-I213 HydrophobicContact CD1-CG1 4.43Å; F211-I213 HydrophobicContact CE1-CD1 3.82Å; F211-I213 HydrophobicContact CE1-CG1 3.58Å; F211-I213 HydrophobicContact CZ-CD1 4.32Å; F211-I213 HydrophobicContact CZ-CG1 3.9Å; I213-I230 HydrophobicContact CD1-CD1 3.6Å; I213-I230 HydrophobicContact CG2-CD1 4.23Å; I213-L233 HydrophobicContact CD1-CB 4.19Å; I213-L233 HydrophobicContact CD1-CD1 3.7Å; I213-P235 HydrophobicContact CD1-CB 4.31Å; I213-P235 HydrophobicContact CD1-CG 4.04Å; I213-P235 HydrophobicContact CG1-CB 4.07Å; I213-P235 HydrophobicContact CG1-CG 4.24Å; I213-R237 PolarHBondContact N-O 3.05Å; I213-R237 VanDerWaalsContact N-O 3.08Å; I213-W238 CarbonylContact O-C 3.54Å; I213-W238 WeakPolarHBondContact O-CA 3.31Å; I213-K239 PolarHBondContact O-N 3.24Å
214	N	98.8	Very high	98.6	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.07	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131	168.6	-77.9	3.5	0	0	0	108.1	I171 S172 C173 K212 K239 F241	I171-N214 PolarHBondContact O-N 3.28Å; S172-N214 CarbonylContact C-O 3.55Å; S172-N214 VanDerWaalsContact CA-O 3.28Å; S172-N214 WeakPolarHBondContact CA-O 3.23Å; C173-N214 PolarHBondContact N-O 3.03Å; K212-N214 WeakPolarHBondContact CE-OD1 3.43Å; K212-N214 PolarHBondContact NZ-OD1 2.91Å; N214-K239 CarbonylContact C-O 3.32Å; N214-K239 WeakPolarHBondContact CA-O 3.2Å; N214-K239 WeakPolarHBondContact OD1-CB 3.31Å; N214-F241 HydrophobicContact CB-CE2 3.86Å
215	S	98.9	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.4	177.6	-54	0	0	0	0	110.3	C173 D174 W238 K239 F241	C173-S215 WeakPolarHBondContact O-CA 3.41Å; C173-S215 VanDerWaalsContact O-CB 3.31Å; C173-S215 WeakPolarHBondContact O-CB 3.38Å; C173-S215 PolarHBondContact O-OG 3.15Å; D174-S215 VanDerWaalsContact OD1-CA 3.3Å; D174-S215 WeakPolarHBondContact OD1-CA 3.45Å; S215-W238 PolarHBondContact OG-NE1 2.98Å; S215-K239 PolarHBondContact N-O 2.83Å; S215-F241 WeakPolarHBondContact O-CD2 3.12Å; S215-F241 PolarHBondContact O-N 2.84Å
216	V	98.8	Very high	98.6	Very high	27 Å²	27	35.6 Å²	35.6	16%	0.164	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.1	169.6	-177.5	0	0	0	0	108.8	F82 D174 N218 N221 F241 C243	F82-V216 HydrophobicContact CD1-CG1 4.48Å; F82-V216 HydrophobicContact CD2-CB 4.48Å; F82-V216 HydrophobicContact CD2-CG1 4.19Å; F82-V216 HydrophobicContact CE2-CB 4.15Å; F82-V216 HydrophobicContact CE2-CG1 4.35Å; F82-V216 HydrophobicContact CE2-CG2 4.15Å; F82-V216 HydrophobicContact CG-CG1 4.34Å; F82-V216 HydrophobicContact CZ-CB 4.28Å; D174-V216 PolarHBondContact OD1-N 3.16Å; V216-N218 PolarHBondContact O-ND2 3.32Å; V216-N221 PolarHBondContact O-ND2 2.76Å; V216-F241 CarbonylContact C-O 3.46Å; V216-F241 WeakPolarHBondContact CA-O 3.5Å; V216-F241 HydrophobicContact CG2-CB 4.47Å; V216-C243 HydrophobicContact CG1-CB 4.1Å
217	I	98.8	Very high	98.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.2	177	-45.4	-51.2	0	0	0	108.4	N221 V222 V240 F241 C243 I264 F269 F272	I217-N221 WeakPolarHBondContact CA-OD1 3.38Å; I217-V222 HydrophobicContact CG2-CB 4.09Å; I217-V222 HydrophobicContact CG2-CG2 4Å; I217-V240 HydrophobicContact CD1-CG1 3.95Å; I217-V240 HydrophobicContact CG1-CG1 3.45Å; I217-V240 VanDerWaalsContact CG1-CG1 3.45Å; I217-F241 PolarHBondContact N-O 2.86Å; I217-C243 WeakPolarHBondContact O-CB 3.39Å; I217-C243 PolarHBondContact O-N 3.08Å; I217-I264 HydrophobicContact CB-CD1 4.04Å; I217-I264 HydrophobicContact CG2-CD1 3.68Å; I217-F269 HydrophobicContact CB-CD2 4.07Å; I217-F269 HydrophobicContact CB-CE2 4.14Å; I217-F269 HydrophobicContact CG1-CD2 4.32Å; I217-F269 HydrophobicContact CG1-CE2 3.98Å; I217-F269 HydrophobicContact CG2-CD2 4.47Å; I217-F272 HydrophobicContact CD1-CD1 4.03Å; I217-F272 HydrophobicContact CD1-CD2 4.35Å; I217-F272 HydrophobicContact CD1-CE1 3.5Å; I217-F272 VanDerWaalsContact CD1-CE1 3.5Å; I217-F272 HydrophobicContact CD1-CE2 3.85Å; I217-F272 HydrophobicContact CD1-CG 4.45Å; I217-F272 HydrophobicContact CD1-CZ 3.4Å; I217-F272 HydrophobicContact CG1-CD1 3.88Å; I217-F272 HydrophobicContact CG1-CE1 3.85Å; I217-F272 HydrophobicContact CG1-CG 4.29Å; I217-F272 HydrophobicContact CG1-CZ 4.19Å; I217-F272 HydrophobicContact CG2-CB 4.28Å; I217-F272 HydrophobicContact CG2-CD1 4.38Å; I217-F272 HydrophobicContact CG2-CD2 3.94Å; I217-F272 HydrophobicContact CG2-CE2 4.4Å; I217-F272 HydrophobicContact CG2-CG 3.93Å
218	N	98.8	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.			trans	-148	176	-169.2	68.1	78.7	0	0	0	110	F82 V216 F220 N221 V222 C243 F262 I264	F82-N218 HydrophobicContact CD1-CB 4.39Å; V216-N218 PolarHBondContact O-ND2 3.32Å; N218-F220 PolarHBondContact O-N 3.05Å; N218-F220 WeakPolarHBondContact OD1-CB 3.44Å; N218-F220 WeakPolarHBondContact OD1-CD2 3.3Å; N218-F220 PolarHBondContact OD1-N 2.8Å; N218-N221 PolarHBondContact N-OD1 2.76Å; N218-N221 PolarHBondContact ND2-ND2 3.39Å; N218-N221 PolarHBondContact O-N 3.24Å; N218-N221 VanDerWaalsContact O-N 3.14Å; N218-N221 PolarHBondContact O-OD1 3.19Å; N218-V222 WeakPolarHBondContact O-CB 3.37Å; N218-V222 PolarHBondContact O-N 2.96Å; N218-V222 VanDerWaalsContact O-N 3.08Å; N218-C243 HydrophobicContact CB-CB 4.18Å; N218-F262 WeakPolarHBondContact CA-O 3.37Å; N218-F262 HydrophobicContact CB-CB 4.05Å; N218-F262 HydrophobicContact CB-CD1 4.26Å; N218-F262 VanDerWaalsContact CB-O 3.23Å; N218-F262 WeakPolarHBondContact CB-O 3.48Å; N218-I264 VanDerWaalsContact C-CG2 3.42Å
219	T	98.7	Very high	98.7	Very high	64 Å²	64	33.9 Å²	33.9	39%	0.393	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-32.8	-177	-48.6	0	0	0	0	114.6	R261 F262 V263	T219-R261 WeakPolarHBondContact CB-O 3.42Å; T219-R261 PolarHBondContact OG1-O 2.97Å; T219-F262 PolarHBondContact N-O 3.18Å; T219-F262 VanDerWaalsContact N-O 3.14Å; T219-F262 WeakPolarHBondContact OG1-CA 3.49Å; T219-F262 PolarHBondContact OG1-O 3.23Å; T219-V263 PolarHBondContact OG1-O 3.01Å
220	F	98.6	Very high	98.7	Very high	68 Å²	68	33.9 Å²	33.9	30%	0.298	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-20.3	-172.9	-59	-74.8	0	0	0	114.5	T180 M183 I184 N218 F262	T180-F220 HydrophobicContact CG2-CB 4.07Å; M183-F220 HydrophobicContact CB-CD1 4.28Å; M183-F220 HydrophobicContact CB-CE1 4.5Å; M183-F220 HydrophobicContact CE-CD1 4.25Å; M183-F220 HydrophobicContact SD-CD1 4.1Å; M183-F220 HydrophobicContact SD-CE1 4.33Å; I184-F220 HydrophobicContact CG1-CB 4.25Å; I184-F220 HydrophobicContact CG1-CD2 4.22Å; N218-F220 PolarHBondContact O-N 3.05Å; N218-F220 WeakPolarHBondContact OD1-CB 3.44Å; N218-F220 WeakPolarHBondContact OD1-CD2 3.3Å; N218-F220 PolarHBondContact OD1-N 2.8Å; F220-F262 AromaticContact CD2-CD1 3.57Å; F220-F262 HydrophobicContact CD2-CD1 3.57Å; F220-F262 AromaticContact CD2-CE1 3.49Å; F220-F262 HydrophobicContact CD2-CE1 3.49Å; F220-F262 VanDerWaalsContact CD2-CE1 3.49Å; F220-F262 AromaticContact CE2-CD1 3.46Å; F220-F262 HydrophobicContact CE2-CD1 3.46Å; F220-F262 VanDerWaalsContact CE2-CD1 3.46Å; F220-F262 AromaticContact CE2-CE1 3.24Å; F220-F262 HydrophobicContact CE2-CE1 3.24Å; F220-F262 HydrophobicContact CE2-CG 4.27Å; F220-F262 AromaticContact CE2-CZ 3.89Å; F220-F262 HydrophobicContact CE2-CZ 3.89Å; F220-F262 HydrophobicContact CZ-CE1 4.46Å
221	N	98.8	Very high	98.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	1.6	-174.8	66.6	2.1	0	0	0	113.8	D174 T180 V216 I217 N218 H223 E224 M226	D174-N221 PolarHBondContact O-ND2 2.9Å; T180-N221 HydrophobicContact CG2-CB 4.32Å; V216-N221 PolarHBondContact O-ND2 2.76Å; I217-N221 WeakPolarHBondContact CA-OD1 3.38Å; N218-N221 PolarHBondContact N-OD1 2.76Å; N218-N221 PolarHBondContact ND2-ND2 3.39Å; N218-N221 PolarHBondContact O-N 3.24Å; N218-N221 VanDerWaalsContact O-N 3.14Å; N218-N221 PolarHBondContact O-OD1 3.19Å; N221-H223 PolarHBondContact O-N 2.88Å; N221-E224 HydrophobicContact CB-CB 4.47Å; N221-E224 VanDerWaalsContact O-CB 3.27Å; N221-E224 WeakPolarHBondContact O-CB 3.22Å; N221-E224 PolarHBondContact O-N 2.91Å; N221-M226 HydrophobicContact CB-CE 4.12Å
222	V	98.8	Very high	98.6	Very high	8 Å²	8	44.2 Å²	44.2	5%	0.048	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.1	-174.6	69.4	0	0	0	0	114.4	I217 N218 I264 Q268	I217-V222 HydrophobicContact CG2-CB 4.09Å; I217-V222 HydrophobicContact CG2-CG2 4Å; N218-V222 WeakPolarHBondContact O-CB 3.37Å; N218-V222 PolarHBondContact O-N 2.96Å; N218-V222 VanDerWaalsContact O-N 3.08Å; V222-I264 HydrophobicContact CB-CG2 4.2Å; V222-I264 HydrophobicContact CG1-CG2 4.45Å; V222-I264 HydrophobicContact CG2-CD1 3.87Å; V222-I264 HydrophobicContact CG2-CG2 4.23Å; V222-Q268 HydrophobicContact CG2-CB 3.85Å; V222-Q268 WeakPolarHBondContact CG2-O 3.28Å
223	H	98.5	Very high	98.5	Very high	160 Å²	160	43.2 Å²	43.2	74%	0.741	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	2.2	176.8	-58.8	-53.5	0	0	0	113.4	N221	N221-H223 PolarHBondContact O-N 2.88Å
224	E	98.7	Very high	98.5	Very high	33 Å²	33	48.1 Å²	48.1	15%	0.154	24%	0.242	C	C	.	.			trans	-74.3	136.5	-179.1	-169.6	179.1	153.9	0	0	110.8	S175 F176 N221 M226 F272 H276	S175-E224 WeakPolarHBondContact CA-OE2 3.44Å; S175-E224 WeakPolarHBondContact CB-OE2 3.28Å; S175-E224 PolarHBondContact OG-OE2 3.36Å; F176-E224 PolarHBondContact N-OE1 2.83Å; N221-E224 HydrophobicContact CB-CB 4.47Å; N221-E224 VanDerWaalsContact O-CB 3.27Å; N221-E224 WeakPolarHBondContact O-CB 3.22Å; N221-E224 PolarHBondContact O-N 2.91Å; E224-M226 HydrophobicContact CB-CE 4.03Å; E224-M226 HydrophobicContact CB-CG 4.48Å; E224-M226 HydrophobicContact CG-CE 4.12Å; E224-M226 HydrophobicContact CG-CG 4.01Å; E224-M226 WeakPolarHBondContact OE2-CE 3.25Å; E224-F272 WeakPolarHBondContact O-CE2 3.47Å; E224-H276 PolarHBondContact O-CE1 3.33Å; E224-H276 VanDerWaalsContact O-CE1 3.23Å
225	D	98.6	Very high	98.4	Very high	81 Å²	81	47.6 Å²	47.6	43%	0.433	24%	0.239	S	C	.	.			trans	-92	116.8	164.9	-173	-4.9	0	0	0	108.9	T227 H275 H276	D225-T227 WeakPolarHBondContact OD1-CB 3.27Å; D225-T227 PolarHBondContact OD1-N 2.87Å; D225-T227 PolarHBondContact OD1-OG1 3.11Å; D225-H275 IonicContact OD2-NE2 2.89Å; D225-H276 IonicContact OD1-CD2 3.21Å; D225-H276 IonicContact OD1-NE2 3.89Å
226	M	98.7	Very high	98.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.			trans	-107.5	4.3	-179.5	-56.6	-174.5	-172.3	0	0	112.1	D174 F176 N221 E224 E228 Q229 I230 W238 F272 H276	D174-M226 WeakPolarHBondContact O-CE 3.45Å; F176-M226 HydrophobicContact CD2-CB 3.96Å; F176-M226 HydrophobicContact CD2-CG 3.95Å; F176-M226 HydrophobicContact CD2-SD 4.32Å; F176-M226 HydrophobicContact CE2-CB 3.95Å; F176-M226 HydrophobicContact CE2-CG 4.25Å; F176-M226 HydrophobicContact CE2-SD 4.31Å; N221-M226 HydrophobicContact CB-CE 4.12Å; E224-M226 HydrophobicContact CB-CE 4.03Å; E224-M226 HydrophobicContact CB-CG 4.48Å; E224-M226 HydrophobicContact CG-CE 4.12Å; E224-M226 HydrophobicContact CG-CG 4.01Å; E224-M226 WeakPolarHBondContact OE2-CE 3.25Å; M226-E228 PolarHBondContact O-N 3.14Å; M226-Q229 PolarHBondContact O-N 3.47Å; M226-I230 HydrophobicContact CB-CG1 4.08Å; M226-I230 WeakPolarHBondContact O-CB 3.36Å; M226-I230 VanDerWaalsContact O-CG1 3.22Å; M226-I230 WeakPolarHBondContact O-CG1 3.09Å; M226-I230 PolarHBondContact O-N 2.94Å; M226-W238 HydrophobicContact CB-CH2 4.12Å; M226-W238 HydrophobicContact CB-CZ2 4.3Å; M226-W238 HydrophobicContact SD-CH2 4.47Å; M226-W238 HydrophobicContact SD-CZ2 3.87Å; M226-F272 HydrophobicContact CE-CE2 4.07Å; M226-F272 HydrophobicContact CE-CZ 4.07Å; M226-F272 HydrophobicContact CG-CZ 4.45Å; M226-F272 HydrophobicContact SD-CE2 4.5Å; M226-F272 HydrophobicContact SD-CZ 3.99Å; M226-H276 PolarHBondContact N-NE2 3.43Å
227	T	98.6	Very high	98.3	Very high	30 Å²	30	50.2 Å²	50.2	18%	0.184	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-48	-168.9	-59.5	0	0	0	0	112.1	D225 N231 H276 V279	D225-T227 WeakPolarHBondContact OD1-CB 3.27Å; D225-T227 PolarHBondContact OD1-N 2.87Å; D225-T227 PolarHBondContact OD1-OG1 3.11Å; T227-N231 WeakPolarHBondContact CG2-ND2 3.34Å; T227-N231 VanDerWaalsContact O-CB 3.28Å; T227-N231 WeakPolarHBondContact O-CB 3.32Å; T227-N231 PolarHBondContact O-N 3.07Å; T227-N231 PolarHBondContact O-ND2 2.71Å; T227-N231 VanDerWaalsContact O-ND2 3.1Å; T227-H276 PolarHBondContact OG1-CD2 3.12Å; T227-H276 VanDerWaalsContact OG1-CD2 3.32Å; T227-V279 HydrophobicContact CG2-CG2 4.01Å
228	E	98.3	Very high	98.3	Very high	147 Å²	147	50.2 Å²	50.2	69%	0.687	25%	0.251	S	S	*	.	H	α-helix	trans	-61.6	-49.5	-178.2	-175.1	179.4	174.3	0	0	111.3	M226 N231 Q232	M226-E228 PolarHBondContact O-N 3.14Å; E228-N231 PolarHBondContact O-N 3.16Å; E228-Q232 WeakPolarHBondContact O-CB 3.37Å; E228-Q232 PolarHBondContact O-N 3.11Å
229	Q	98.6	Very high	98.3	Very high	53 Å²	53	50.5 Å²	50.5	25%	0.248	25%	0.252	C	S	.	.	H	α-helix	trans	-70.7	-38.3	-174.9	-60.4	81.8	-3.8	0	0	111.7	F176 M226 Q232 L233	F176-Q229 HydrophobicContact CB-CB 4.45Å; F176-Q229 HydrophobicContact CB-CG 3.95Å; F176-Q229 HydrophobicContact CD1-CB 3.54Å; F176-Q229 HydrophobicContact CD1-CG 3.76Å; F176-Q229 HydrophobicContact CD2-CB 3.71Å; F176-Q229 HydrophobicContact CD2-CG 4.11Å; F176-Q229 HydrophobicContact CE1-CB 3.53Å; F176-Q229 HydrophobicContact CE1-CG 4.27Å; F176-Q229 HydrophobicContact CE2-CB 3.71Å; F176-Q229 HydrophobicContact CG-CB 3.63Å; F176-Q229 HydrophobicContact CG-CG 3.66Å; F176-Q229 HydrophobicContact CZ-CB 3.61Å; M226-Q229 PolarHBondContact O-N 3.47Å; Q229-Q232 PolarHBondContact O-N 2.89Å; Q229-L233 WeakPolarHBondContact O-CB 3.31Å; Q229-L233 WeakPolarHBondContact O-CG 3.33Å; Q229-L233 PolarHBondContact O-N 3.07Å
230	I	98.6	Very high	98.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-43.5	174.2	-65.3	-66.7	0	0	0	110.5	F176 I213 M226 Q232 L233 N234 P235 W238 V279	F176-I230 HydrophobicContact CE2-CD1 3.89Å; F176-I230 HydrophobicContact CE2-CG1 4.06Å; F176-I230 HydrophobicContact CZ-CD1 3.89Å; F176-I230 HydrophobicContact CZ-CG1 4.37Å; I213-I230 HydrophobicContact CD1-CD1 3.6Å; I213-I230 HydrophobicContact CG2-CD1 4.23Å; M226-I230 HydrophobicContact CB-CG1 4.08Å; M226-I230 WeakPolarHBondContact O-CB 3.36Å; M226-I230 VanDerWaalsContact O-CG1 3.22Å; M226-I230 WeakPolarHBondContact O-CG1 3.09Å; M226-I230 PolarHBondContact O-N 2.94Å; I230-Q232 VanDerWaalsContact C-N 3.34Å; I230-Q232 PolarHBondContact O-N 3.17Å; I230-L233 PolarHBondContact O-N 3.19Å; I230-N234 PolarHBondContact O-N 3.01Å; I230-P235 HydrophobicContact CG2-CG 4.1Å; I230-P235 WeakPolarHBondContact O-CD 3.35Å; I230-W238 HydrophobicContact CB-CE3 4.45Å; I230-W238 HydrophobicContact CD1-CD2 3.91Å; I230-W238 HydrophobicContact CD1-CE3 4.42Å; I230-W238 HydrophobicContact CD1-CG 4.14Å; I230-W238 HydrophobicContact CD1-CZ2 4.23Å; I230-W238 HydrophobicContact CG1-CD2 4.04Å; I230-W238 HydrophobicContact CG1-CE3 4.05Å; I230-W238 HydrophobicContact CG1-CH2 4.08Å; I230-W238 HydrophobicContact CG1-CZ2 4.07Å; I230-W238 HydrophobicContact CG1-CZ3 4.06Å; I230-W238 HydrophobicContact CG2-CD2 4.18Å; I230-W238 HydrophobicContact CG2-CE3 3.87Å; I230-W238 HydrophobicContact CG2-CG 4.5Å; I230-W238 HydrophobicContact CG2-CZ3 4.4Å; I230-V279 HydrophobicContact CG2-CG1 3.67Å
231	N	97.9	Very high	98.3	Very high	92 Å²	92	45.4 Å²	45.4	49%	0.492	23%	0.225	S	C	.	.	H	α-helix	trans	-63.6	-40.2	175.9	-73.9	-27.3	0	0	0	111.9	T227 E228 N234	T227-N231 WeakPolarHBondContact CG2-ND2 3.34Å; T227-N231 VanDerWaalsContact O-CB 3.28Å; T227-N231 WeakPolarHBondContact O-CB 3.32Å; T227-N231 PolarHBondContact O-N 3.07Å; T227-N231 PolarHBondContact O-ND2 2.71Å; T227-N231 VanDerWaalsContact O-ND2 3.1Å; E228-N231 PolarHBondContact O-N 3.16Å; N231-N234 PolarHBondContact O-N 3.41Å
232	Q	97.5	Very high	98.3	Very high	129 Å²	129	45.5 Å²	45.5	60%	0.603	23%	0.225	S	C	*	.	H	α-helix	trans	-63.1	-43.9	176.1	-173	-172.7	15.3	0	0	112.1	F198 E228 Q229 I230 N234	F198-Q232 HydrophobicContact CE1-CG 4.14Å; E228-Q232 WeakPolarHBondContact O-CB 3.37Å; E228-Q232 PolarHBondContact O-N 3.11Å; Q229-Q232 PolarHBondContact O-N 2.89Å; I230-Q232 VanDerWaalsContact C-N 3.34Å; I230-Q232 PolarHBondContact O-N 3.17Å; Q232-N234 VanDerWaalsContact C-N 3.28Å; Q232-N234 PolarHBondContact O-N 3.26Å
233	L	97.9	Very high	98.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-72.7	-23.1	178	-74.7	167.7	0	0	0	112.5	F176 L197 F198 R201 F211 I213 Q229 I230	F176-L233 HydrophobicContact CE1-CD1 3.67Å; F176-L233 HydrophobicContact CZ-CD1 3.84Å; L197-L233 HydrophobicContact CD2-CD1 3.55Å; L197-L233 HydrophobicContact CG-CD1 4.06Å; F198-L233 HydrophobicContact CD1-CD2 3.52Å; F198-L233 HydrophobicContact CD1-CG 4.34Å; F198-L233 HydrophobicContact CD2-CD2 4.49Å; F198-L233 HydrophobicContact CE1-CD2 3.53Å; F198-L233 HydrophobicContact CE1-CG 3.82Å; F198-L233 HydrophobicContact CE2-CD2 4.49Å; F198-L233 HydrophobicContact CG-CD2 4.03Å; F198-L233 HydrophobicContact CZ-CD1 4.32Å; F198-L233 HydrophobicContact CZ-CD2 4.04Å; F198-L233 HydrophobicContact CZ-CG 4Å; R201-L233 HydrophobicContact CB-CD2 3.81Å; R201-L233 WeakPolarHBondContact CD-O 3.02Å; R201-L233 HydrophobicContact CG-CD2 3.9Å; R201-L233 PolarHBondContact NE-O 3.25Å; F211-L233 HydrophobicContact CE1-CB 4.23Å; F211-L233 HydrophobicContact CE1-CD2 4.45Å; I213-L233 HydrophobicContact CD1-CB 4.19Å; I213-L233 HydrophobicContact CD1-CD1 3.7Å; Q229-L233 WeakPolarHBondContact O-CB 3.31Å; Q229-L233 WeakPolarHBondContact O-CG 3.33Å; Q229-L233 PolarHBondContact O-N 3.07Å; I230-L233 PolarHBondContact O-N 3.19Å
234	N	96.9	Very high	98.1	Very high	103 Å²	103	38.2 Å²	38.2	55%	0.551	19%	0.191	S	C	*	.			trans	43.9	59.6	178.7	-171.5	23.4	0	0	0	112.9	I230 N231 Q232	I230-N234 PolarHBondContact O-N 3.01Å; N231-N234 PolarHBondContact O-N 3.41Å; Q232-N234 VanDerWaalsContact C-N 3.28Å; Q232-N234 PolarHBondContact O-N 3.26Å
235	P	97.9	Very high	97.9	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.013	20%	0.2	C	C	.	.			trans	-71.9	148.1	176.9	32.5	-35.2	0	0	0	110.6	F211 I213 I230 R237 W238 C281	F211-P235 HydrophobicContact CD1-CB 3.89Å; F211-P235 HydrophobicContact CE1-CB 4.29Å; F211-P235 CarbonylContact O-C 3.37Å; F211-P235 WeakPolarHBondContact O-CA 3.35Å; I213-P235 HydrophobicContact CD1-CB 4.31Å; I213-P235 HydrophobicContact CD1-CG 4.04Å; I213-P235 HydrophobicContact CG1-CB 4.07Å; I213-P235 HydrophobicContact CG1-CG 4.24Å; I230-P235 HydrophobicContact CG2-CG 4.1Å; I230-P235 WeakPolarHBondContact O-CD 3.35Å; P235-R237 PolarHBondContact O-N 2.82Å; P235-R237 VanDerWaalsContact O-N 3.14Å; P235-W238 HydrophobicContact CG-CB 4.4Å; P235-C281 WeakPolarHBondContact O-CB 3.25Å
236	V	97.8	Very high	97.8	Very high	46 Å²	46	35.9 Å²	35.9	28%	0.279	18%	0.18	S	C	.	.	S	Bend	trans	-65.7	-19.5	176.6	-46.1	0	0	0	0	112.3	A210 F211 M350 L352	A210-V236 HydrophobicContact CB-CG1 4Å; A210-V236 HydrophobicContact CB-CG2 4.15Å; F211-V236 WeakPolarHBondContact O-CG2 3.35Å; F211-V236 PolarHBondContact O-N 3.04Å; V236-M350 HydrophobicContact CG2-SD 4.46Å; V236-L352 HydrophobicContact CB-CD2 4.22Å; V236-L352 HydrophobicContact CG1-CD1 3.91Å; V236-L352 HydrophobicContact CG1-CD2 3.26Å; V236-L352 HydrophobicContact CG1-CG 4.28Å
237	R	98.1	Very high	97.6	Very high	35 Å²	35	39 Å²	39	13%	0.132	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	134.8	179.9	-160	166.6	-170	72.4	-4.6	108.6	K212 I213 P235 V283 G340	K212-R237 WeakPolarHBondContact CA-O 3.48Å; K212-R237 HydrophobicContact CD-CB 4.24Å; K212-R237 HydrophobicContact CG-CB 4.3Å; K212-R237 WeakPolarHBondContact CG-O 3.35Å; I213-R237 PolarHBondContact N-O 3.05Å; I213-R237 VanDerWaalsContact N-O 3.08Å; P235-R237 PolarHBondContact O-N 2.82Å; P235-R237 VanDerWaalsContact O-N 3.14Å; R237-V283 HydrophobicContact CG-CG2 4Å; R237-G340 PolarHBondContact NH2-O 2.94Å
238	W	98.7	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.3	168.7	177.9	29.5	0	0	0	108.4	I213 S215 M226 I230 P235 V240 F272 H276 V279 C281 L282 V283	I213-W238 CarbonylContact O-C 3.54Å; I213-W238 WeakPolarHBondContact O-CA 3.31Å; S215-W238 PolarHBondContact OG-NE1 2.98Å; M226-W238 HydrophobicContact CB-CH2 4.12Å; M226-W238 HydrophobicContact CB-CZ2 4.3Å; M226-W238 HydrophobicContact SD-CH2 4.47Å; M226-W238 HydrophobicContact SD-CZ2 3.87Å; I230-W238 HydrophobicContact CB-CE3 4.45Å; I230-W238 HydrophobicContact CD1-CD2 3.91Å; I230-W238 HydrophobicContact CD1-CE3 4.42Å; I230-W238 HydrophobicContact CD1-CG 4.14Å; I230-W238 HydrophobicContact CD1-CZ2 4.23Å; I230-W238 HydrophobicContact CG1-CD2 4.04Å; I230-W238 HydrophobicContact CG1-CE3 4.05Å; I230-W238 HydrophobicContact CG1-CH2 4.08Å; I230-W238 HydrophobicContact CG1-CZ2 4.07Å; I230-W238 HydrophobicContact CG1-CZ3 4.06Å; I230-W238 HydrophobicContact CG2-CD2 4.18Å; I230-W238 HydrophobicContact CG2-CE3 3.87Å; I230-W238 HydrophobicContact CG2-CG 4.5Å; I230-W238 HydrophobicContact CG2-CZ3 4.4Å; P235-W238 HydrophobicContact CG-CB 4.4Å; W238-V240 HydrophobicContact CD2-CG2 3.58Å; W238-V240 HydrophobicContact CE3-CG2 4.08Å; W238-V240 HydrophobicContact CG-CG2 4Å; W238-V240 HydrophobicContact CH2-CG2 4.22Å; W238-V240 HydrophobicContact CZ2-CG2 3.72Å; W238-V240 HydrophobicContact CZ3-CG2 4.39Å; W238-F272 HydrophobicContact CH2-CE1 4Å; W238-F272 HydrophobicContact CH2-CZ 4.05Å; W238-F272 HydrophobicContact CZ2-CE1 4.14Å; W238-F272 HydrophobicContact CZ2-CZ 4.09Å; W238-H276 HydrophobicContact CH2-CB 4.3Å; W238-H276 AromaticContact CH2-CD2 3.74Å; W238-H276 AromaticContact CH2-CG 3.94Å; W238-H276 HydrophobicContact CZ3-CB 4.06Å; W238-V279 HydrophobicContact CE3-CB 4.31Å; W238-V279 HydrophobicContact CE3-CG1 3.72Å; W238-V279 HydrophobicContact CZ3-CB 4.2Å; W238-V279 HydrophobicContact CZ3-CG1 4.04Å; W238-V279 HydrophobicContact CZ3-CG2 4.21Å; W238-C281 PolarHBondContact N-O 2.77Å; W238-L282 HydrophobicContact CE3-CB 3.96Å; W238-L282 HydrophobicContact CE3-CD1 4Å; W238-L282 HydrophobicContact CE3-CG 4Å; W238-L282 HydrophobicContact CH2-CD1 4.47Å; W238-L282 HydrophobicContact CZ3-CB 4.49Å; W238-L282 HydrophobicContact CZ3-CD1 3.75Å; W238-L282 HydrophobicContact CZ3-CG 4.27Å; W238-L282 CarbonylContact O-C 3.43Å; W238-L282 WeakPolarHBondContact O-CA 3.35Å; W238-V283 PolarHBondContact O-N 3.2Å
239	K	98.3	Very high	97.3	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.03	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.7	175.3	-78.1	-77.3	178.9	179.9	0	109	I213 N214 S215 F241 V283 E285	I213-K239 PolarHBondContact O-N 3.24Å; N214-K239 CarbonylContact C-O 3.32Å; N214-K239 WeakPolarHBondContact CA-O 3.2Å; N214-K239 WeakPolarHBondContact OD1-CB 3.31Å; S215-K239 PolarHBondContact N-O 2.83Å; K239-F241 HydrophobicContact CB-CD2 4.4Å; K239-F241 HydrophobicContact CB-CE1 4.27Å; K239-F241 HydrophobicContact CB-CE2 3.59Å; K239-F241 HydrophobicContact CB-CZ 3.53Å; K239-F241 HydrophobicContact CD-CE1 4.48Å; K239-F241 HydrophobicContact CD-CZ 4.34Å; K239-F241 HydrophobicContact CG-CZ 4.1Å; K239-V283 HydrophobicContact CD-CB 4.02Å; K239-V283 HydrophobicContact CD-CG1 4.07Å; K239-E285 HydrophobicContact CD-CG 4.32Å; K239-E285 WeakPolarHBondContact CD-OE1 3.47Å; K239-E285 WeakPolarHBondContact CE-OE1 3.24Å; K239-E285 IonicContact NZ-OE1 2.86Å; K239-E285 PolarHBondContact NZ-OE1 2.93Å
240	V	98.6	Very high	97.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	108.8	-179.1	179	0	0	0	0	107.5	I217 W238 F269 F272 L273 L282 V283 P284 E285	I217-V240 HydrophobicContact CD1-CG1 3.95Å; I217-V240 HydrophobicContact CG1-CG1 3.45Å; I217-V240 VanDerWaalsContact CG1-CG1 3.45Å; W238-V240 HydrophobicContact CD2-CG2 3.58Å; W238-V240 HydrophobicContact CE3-CG2 4.08Å; W238-V240 HydrophobicContact CG-CG2 4Å; W238-V240 HydrophobicContact CH2-CG2 4.22Å; W238-V240 HydrophobicContact CZ2-CG2 3.72Å; W238-V240 HydrophobicContact CZ3-CG2 4.39Å; V240-F269 HydrophobicContact CG1-CE2 3.84Å; V240-F269 HydrophobicContact CG1-CZ 4.17Å; V240-F272 HydrophobicContact CG1-CD1 4.02Å; V240-F272 HydrophobicContact CG1-CE1 3.8Å; V240-L273 HydrophobicContact CB-CD2 4.47Å; V240-L273 HydrophobicContact CG1-CD2 3.93Å; V240-L282 HydrophobicContact CG2-CD1 4.3Å; V240-L282 HydrophobicContact CG2-CD2 4.46Å; V240-L282 HydrophobicContact CG2-CG 3.89Å; V240-V283 PolarHBondContact N-O 2.86Å; V240-P284 WeakPolarHBondContact O-CA 3.44Å; V240-E285 PolarHBondContact O-N 3.29Å
241	F	98.3	Very high	97	Very high	25 Å²	25	29.1 Å²	29.1	11%	0.11	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.9	-176.7	-55.1	-77.2	0	0	0	110	N214 S215 V216 I217 K239 E285 M290	N214-F241 HydrophobicContact CB-CE2 3.86Å; S215-F241 WeakPolarHBondContact O-CD2 3.12Å; S215-F241 PolarHBondContact O-N 2.84Å; V216-F241 CarbonylContact C-O 3.46Å; V216-F241 WeakPolarHBondContact CA-O 3.5Å; V216-F241 HydrophobicContact CG2-CB 4.47Å; I217-F241 PolarHBondContact N-O 2.86Å; K239-F241 HydrophobicContact CB-CD2 4.4Å; K239-F241 HydrophobicContact CB-CE1 4.27Å; K239-F241 HydrophobicContact CB-CE2 3.59Å; K239-F241 HydrophobicContact CB-CZ 3.53Å; K239-F241 HydrophobicContact CD-CE1 4.48Å; K239-F241 HydrophobicContact CD-CZ 4.34Å; K239-F241 HydrophobicContact CG-CZ 4.1Å; F241-E285 WeakPolarHBondContact CA-O 3.27Å; F241-E285 HydrophobicContact CD1-CB 3.68Å; F241-E285 HydrophobicContact CD1-CG 4.27Å; F241-E285 HydrophobicContact CE1-CB 4.13Å; F241-E285 HydrophobicContact CE1-CG 4.22Å; F241-E285 WeakPolarHBondContact CE1-OE2 3.36Å; F241-M290 HydrophobicContact CB-CE 4.37Å; F241-M290 HydrophobicContact CB-SD 3.89Å; F241-M290 HydrophobicContact CD1-CG 4.19Å; F241-M290 HydrophobicContact CD1-SD 3.42Å; F241-M290 WeakPolarHBondContact CD1-SD 3.22Å; F241-M290 HydrophobicContact CE1-SD 4.32Å; F241-M290 HydrophobicContact CG-SD 4.04Å
242	Q	98.5	Very high	96.8	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	145.6	163.3	-170.3	-178.9	13.6	0	0	109.6	L244 I264 D266 F269 E285 N287 M290	Q242-L244 PolarHBondContact O-N 3.14Å; Q242-I264 HydrophobicContact CG-CD1 4.41Å; Q242-I264 HydrophobicContact CG-CG1 4.07Å; Q242-I264 PolarHBondContact NE2-O 2.89Å; Q242-D266 PolarHBondContact NE2-OD1 3.14Å; Q242-D266 PolarHBondContact OE1-OD1 2.9Å; Q242-F269 HydrophobicContact CB-CD1 4.12Å; Q242-F269 HydrophobicContact CB-CD2 3.88Å; Q242-F269 HydrophobicContact CB-CE1 4.17Å; Q242-F269 HydrophobicContact CB-CE2 3.93Å; Q242-F269 HydrophobicContact CB-CG 3.97Å; Q242-F269 HydrophobicContact CB-CZ 4.08Å; Q242-F269 HydrophobicContact CG-CB 4.21Å; Q242-F269 HydrophobicContact CG-CD1 4.46Å; Q242-F269 HydrophobicContact CG-CD2 4.2Å; Q242-F269 HydrophobicContact CG-CG 4.05Å; Q242-E285 PolarHBondContact N-O 2.97Å; Q242-N287 PolarHBondContact O-OD1 2.64Å; Q242-M290 WeakPolarHBondContact O-CE 3.23Å
243	C	97.7	Very high	96.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-60.8	124	175	-173.1	0	0	0	0	111.4	V216 I217 N218 N287	V216-C243 HydrophobicContact CG1-CB 4.1Å; I217-C243 WeakPolarHBondContact O-CB 3.39Å; I217-C243 PolarHBondContact O-N 3.08Å; N218-C243 HydrophobicContact CB-CB 4.18Å; C243-N287 PolarHBondContact O-ND2 3.23Å; C243-N287 PolarHBondContact O-OD1 3.49Å
244	L	95.5	Very high	96.1	Very high	13 Å²	13	37.9 Å²	37.9	7%	0.068	20%	0.201	C	C	.	.			trans	-110.2	130.4	-176.2	-178.8	65.2	0	0	0	111.5	F84 Q242 I246 N250 N287 M290 R291	F84-L244 HydrophobicContact CD2-CD2 4.48Å; Q242-L244 PolarHBondContact O-N 3.14Å; L244-I246 HydrophobicContact CD2-CD1 3.85Å; L244-I246 HydrophobicContact CD2-CG1 4.24Å; L244-I246 HydrophobicContact CG-CD1 4.06Å; L244-I246 HydrophobicContact CG-CG1 4.24Å; L244-N250 PolarHBondContact O-ND2 2.84Å; L244-N287 WeakPolarHBondContact CA-OD1 3.18Å; L244-N287 WeakPolarHBondContact CB-OD1 3.46Å; L244-N287 HydrophobicContact CD1-CB 3.94Å; L244-M290 HydrophobicContact CB-CE 3.79Å; L244-M290 HydrophobicContact CD2-CB 4.34Å; L244-M290 HydrophobicContact CD2-CE 4.26Å; L244-M290 HydrophobicContact CG-CE 4.5Å; L244-R291 HydrophobicContact CD1-CG 3.99Å; L244-R291 HydrophobicContact CD2-CG 4.48Å
245	L	95.9	Very high	96	Very high	63 Å²	63	34.1 Å²	34.1	33%	0.33	18%	0.184	S	C	.	.			trans	-84.1	134.4	168	-59.5	-175.8	0	0	0	110.4	N250 A251 A259 E260 V263	L245-N250 WeakPolarHBondContact CA-OD1 3.26Å; L245-A251 HydrophobicContact CB-CB 4.19Å; L245-A251 HydrophobicContact CD2-CB 4.37Å; L245-A259 HydrophobicContact CD2-CB 3.47Å; L245-A259 VanDerWaalsContact CD2-CB 3.47Å; L245-E260 HydrophobicContact CD1-CG 4.45Å; L245-V263 HydrophobicContact CD1-CG2 3.97Å; L245-V263 HydrophobicContact CD2-CG2 3.53Å; L245-V263 HydrophobicContact CG-CG2 3.69Å
246	I	95.1	Very high	95.8	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	21%	0.206	C	C	.	.			trans	-132.8	115.1	173.2	-61.9	-65.2	0	0	0	107.8	F84 L244 E249 N250 A251 G309 K311	F84-I246 HydrophobicContact CB-CB 4.5Å; F84-I246 HydrophobicContact CB-CG1 4.07Å; L244-I246 HydrophobicContact CD2-CD1 3.85Å; L244-I246 HydrophobicContact CD2-CG1 4.24Å; L244-I246 HydrophobicContact CG-CD1 4.06Å; L244-I246 HydrophobicContact CG-CG1 4.24Å; I246-E249 HydrophobicContact CB-CB 4.17Å; I246-E249 HydrophobicContact CB-CG 4.47Å; I246-E249 HydrophobicContact CG2-CB 3.93Å; I246-E249 HydrophobicContact CG2-CG 3.73Å; I246-E249 PolarHBondContact O-N 2.89Å; I246-E249 VanDerWaalsContact O-N 3.15Å; I246-N250 PolarHBondContact N-OD1 2.8Å; I246-N250 PolarHBondContact O-N 3.41Å; I246-N250 PolarHBondContact O-OD1 2.91Å; I246-A251 PolarHBondContact O-N 2.99Å; I246-G309 CarbonylContact C-O 3.54Å; I246-G309 WeakPolarHBondContact CA-O 3.47Å; I246-K311 HydrophobicContact CG2-CD 4.28Å; I246-K311 HydrophobicContact CG2-CG 4.01Å
247	D	95.1	Very high	95.7	Very high	65 Å²	65	39.6 Å²	39.6	35%	0.348	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-62.3	136.7	178.7	177.2	55.4	0	0	0	110.9	E249 A251 G309 R310	D247-E249 PolarHBondContact O-N 3.43Å; D247-A251 WeakPolarHBondContact CA-O 3.32Å; D247-G309 PolarHBondContact N-O 3.21Å; D247-R310 HydrophobicContact CB-CG 3.59Å; D247-R310 WeakPolarHBondContact OD2-CD 3.28Å; D247-R310 VanDerWaalsContact OD2-CG 3.25Å; D247-R310 WeakPolarHBondContact OD2-CG 3.17Å; D247-R310 IonicContact OD2-NH1 2.76Å
248	G	94.3	Very high	95.5	Very high	8 Å²	8	45.1 Å²	45.1	8%	0.082	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	2.7	-174.6	0	0	0	0	0	115.5	K88 A251	K88-G248 PolarHBondContact NZ-O 3.28Å; G248-A251 PolarHBondContact N-O 2.91Å
249	E	95.6	Very high	95.4	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.019	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-60.2	170.7	-67.5	-78.8	-169	0	0	110.7	R74 F84 T86 I246 D247 A255 L256 K311	R74-E249 IonicContact CZ-OE1 2.62Å; R74-E249 IonicContact NH1-OE1 2.64Å; R74-E249 PolarHBondContact NH1-OE1 3.29Å; R74-E249 IonicContact NH1-OE2 2.93Å; R74-E249 PolarHBondContact NH1-OE2 3.21Å; R74-E249 IonicContact NH2-OE1 2.93Å; R74-E249 PolarHBondContact NH2-OE1 3.26Å; R74-E249 VanDerWaalsContact NH2-OE1 3.15Å; F84-E249 WeakPolarHBondContact O-CB 3.38Å; F84-E249 WeakPolarHBondContact O-CG 3.44Å; T86-E249 WeakPolarHBondContact CB-OE2 3.48Å; T86-E249 WeakPolarHBondContact CG2-O 3.42Å; T86-E249 PolarHBondContact N-OE2 3.21Å; T86-E249 PolarHBondContact OG1-OE2 2.86Å; I246-E249 HydrophobicContact CB-CB 4.17Å; I246-E249 HydrophobicContact CB-CG 4.47Å; I246-E249 HydrophobicContact CG2-CB 3.93Å; I246-E249 HydrophobicContact CG2-CG 3.73Å; I246-E249 PolarHBondContact O-N 2.89Å; I246-E249 VanDerWaalsContact O-N 3.15Å; D247-E249 PolarHBondContact O-N 3.43Å; E249-A255 WeakPolarHBondContact O-CB 3.03Å; E249-L256 PolarHBondContact O-N 3.27Å; E249-K311 HydrophobicContact CG-CD 4.1Å
250	N	96.6	Very high	95.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133	8.1	-175.3	73.6	-0	0	0	0	114.5	F82 C83 L244 L245 I246 R257 A259	F82-N250 PolarHBondContact O-ND2 3Å; C83-N250 WeakPolarHBondContact O-CB 3.36Å; L244-N250 PolarHBondContact O-ND2 2.84Å; L245-N250 WeakPolarHBondContact CA-OD1 3.26Å; I246-N250 PolarHBondContact N-OD1 2.8Å; I246-N250 PolarHBondContact O-N 3.41Å; I246-N250 PolarHBondContact O-OD1 2.91Å; N250-R257 CarbonylContact C-O 3.56Å; N250-R257 VanDerWaalsContact CA-O 3.31Å; N250-R257 WeakPolarHBondContact CA-O 3.39Å; N250-R257 HydrophobicContact CB-CB 3.83Å; N250-R257 VanDerWaalsContact O-O 3.09Å; N250-A259 HydrophobicContact CB-CB 3.72Å; N250-A259 VanDerWaalsContact CG-CB 3.45Å; N250-A259 WeakPolarHBondContact ND2-CB 3.49Å; N250-A259 VanDerWaalsContact O-CB 3.28Å; N250-A259 WeakPolarHBondContact O-CB 3.29Å; N250-A259 PolarHBondContact O-N 3.2Å
251	A	95.6	Very high	95.2	Very high	11 Å²	11	56.5 Å²	56.5	9%	0.091	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-145.1	154.3	173.5	0	0	0	0	0	109	L245 I246 D247 G248 A255 E260	L245-A251 HydrophobicContact CB-CB 4.19Å; L245-A251 HydrophobicContact CD2-CB 4.37Å; I246-A251 PolarHBondContact O-N 2.99Å; D247-A251 WeakPolarHBondContact CA-O 3.32Å; G248-A251 PolarHBondContact N-O 2.91Å; A251-A255 WeakPolarHBondContact O-CB 3.46Å; A251-E260 VanDerWaalsContact CA-OE1 3.31Å; A251-E260 WeakPolarHBondContact CA-OE1 3.4Å; A251-E260 WeakPolarHBondContact CB-OE1 3.08Å
252	G	93.8	Very high	95.2	Very high	41 Å²	41	55.3 Å²	55.3	42%	0.423	28%	0.275	S	S	.	.	S	Bend	trans	84.3	168.5	-180	0	0	0	0	0	114.5	E254 A255	G252-E254 VanDerWaalsContact C-N 3.29Å; G252-E254 PolarHBondContact O-N 3.29Å; G252-A255 WeakPolarHBondContact O-CB 3.21Å; G252-A255 PolarHBondContact O-N 3.14Å
253	E	90.4	Very high	95.2	Very high	206 Å²	206	57.9 Å²	57.9	96%	0.963	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.2	-168.6	-64.7	-175.6	172.8	0	0	114.1
254	E	90.1	Very high	95.2	Very high	160 Å²	160	58.1 Å²	58.1	75%	0.748	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	3.2	-178.1	-59.3	-170	167.7	0	0	113.7	G252	G252-E254 VanDerWaalsContact C-N 3.29Å; G252-E254 PolarHBondContact O-N 3.29Å
255	A	93.8	Very high	95.3	Very high	24 Å²	24	61.2 Å²	61.2	20%	0.198	31%	0.311	C	S	.	.			trans	-77.3	149.4	-176.8	0	0	0	0	0	113.2	E249 A251 G252 R257	E249-A255 WeakPolarHBondContact O-CB 3.03Å; A251-A255 WeakPolarHBondContact O-CB 3.46Å; G252-A255 WeakPolarHBondContact O-CB 3.21Å; G252-A255 PolarHBondContact O-N 3.14Å; A255-R257 VanDerWaalsContact C-N 3.31Å; A255-R257 WeakPolarHBondContact CB-O 3.5Å
256	L	94	Very high	95.4	Very high	91 Å²	91	63.7 Å²	63.7	48%	0.476	33%	0.325	S	S	.	.	S	Bend	trans	-89.9	-2.1	174	-65.1	178.6	0	0	0	112.5	T86 K88 E249	T86-L256 HydrophobicContact CG2-CB 4.29Å; K88-L256 HydrophobicContact CG-CD1 4.23Å; E249-L256 PolarHBondContact O-N 3.27Å
257	R	95.6	Very high	95.5	Very high	72 Å²	72	69.3 Å²	69.3	27%	0.272	35%	0.351	S	S	.	.			trans	-143.7	155.3	-173.7	-69.5	-61.3	-178.4	-84.3	-3.6	109	C80 G81 C83 T86 N250 A255	C80-R257 WeakPolarHBondContact O-CD 3.44Å; C80-R257 PolarHBondContact O-NE 2.89Å; G81-R257 WeakPolarHBondContact O-CB 3.42Å; C83-R257 HydrophobicContact CB-CG 4.32Å; T86-R257 HydrophobicContact CG2-CB 4.34Å; T86-R257 HydrophobicContact CG2-CG 3.72Å; N250-R257 CarbonylContact C-O 3.56Å; N250-R257 VanDerWaalsContact CA-O 3.31Å; N250-R257 WeakPolarHBondContact CA-O 3.39Å; N250-R257 HydrophobicContact CB-CB 3.83Å; N250-R257 VanDerWaalsContact O-O 3.09Å; A255-R257 VanDerWaalsContact C-N 3.31Å; A255-R257 WeakPolarHBondContact CB-O 3.5Å
258	E	94.1	Very high	95.7	Very high	150 Å²	150	69.2 Å²	69.2	70%	0.701	35%	0.348	S	S	*	.			trans	-124	88.5	-179.7	-66.9	170.5	-142.7	0	0	107.6	E260	E258-E260 VanDerWaalsContact C-N 3.34Å; E258-E260 WeakPolarHBondContact CA-OE2 3.49Å
259	A	96.6	Very high	95.9	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.346	C	S	.	.			trans	-83.1	-10.5	-175	0	0	0	0	0	113	F82 L245 N250 R261 F262 V263	F82-A259 HydrophobicContact CB-CB 4.18Å; L245-A259 HydrophobicContact CD2-CB 3.47Å; L245-A259 VanDerWaalsContact CD2-CB 3.47Å; N250-A259 HydrophobicContact CB-CB 3.72Å; N250-A259 VanDerWaalsContact CG-CB 3.45Å; N250-A259 WeakPolarHBondContact ND2-CB 3.49Å; N250-A259 VanDerWaalsContact O-CB 3.28Å; N250-A259 WeakPolarHBondContact O-CB 3.29Å; N250-A259 PolarHBondContact O-N 3.2Å; A259-R261 PolarHBondContact O-N 3.25Å; A259-F262 WeakPolarHBondContact O-CA 3.42Å; A259-F262 VanDerWaalsContact O-CB 3.31Å; A259-F262 WeakPolarHBondContact O-CB 3.49Å; A259-F262 PolarHBondContact O-N 3.31Å; A259-V263 PolarHBondContact O-N 3.04Å
260	E	96.7	Very high	96	Very high	93 Å²	93	72.8 Å²	72.8	44%	0.435	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-55.9	-38.8	-176.3	-67.4	80.9	178.4	0	0	111.7	L245 A251 E258 F262 V263	L245-E260 HydrophobicContact CD1-CG 4.45Å; A251-E260 VanDerWaalsContact CA-OE1 3.31Å; A251-E260 WeakPolarHBondContact CA-OE1 3.4Å; A251-E260 WeakPolarHBondContact CB-OE1 3.08Å; E258-E260 VanDerWaalsContact C-N 3.34Å; E258-E260 WeakPolarHBondContact CA-OE2 3.49Å; E260-F262 PolarHBondContact O-N 3.1Å; E260-V263 PolarHBondContact O-N 3.32Å
261	R	96.7	Very high	96.1	Very high	154 Å²	154	76.8 Å²	76.8	58%	0.581	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-69.3	-12.8	177	74.5	-178.5	-165.7	-178.9	3.1	114.6	T219 A259	T219-R261 WeakPolarHBondContact CB-O 3.42Å; T219-R261 PolarHBondContact OG1-O 2.97Å; A259-R261 PolarHBondContact O-N 3.25Å
262	F	98.3	Very high	96.3	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-99.9	-9.5	-179.2	-66.5	-91.1	0	0	0	112.8	G81 F82 I184 N218 T219 F220 A259 E260	G81-F262 VanDerWaalsContact C-CE2 3.49Å; G81-F262 VanDerWaalsContact CA-CE2 3.47Å; F82-F262 HydrophobicContact CB-CB 4.06Å; F82-F262 HydrophobicContact CB-CD2 4.33Å; F82-F262 HydrophobicContact CB-CG 4.08Å; F82-F262 HydrophobicContact CD1-CB 4.27Å; F82-F262 AromaticContact CD1-CD1 3.56Å; F82-F262 HydrophobicContact CD1-CD1 3.56Å; F82-F262 AromaticContact CD1-CE1 3.98Å; F82-F262 HydrophobicContact CD1-CE1 3.98Å; F82-F262 AromaticContact CD1-CG 3.96Å; F82-F262 HydrophobicContact CD1-CG 3.96Å; F82-F262 HydrophobicContact CE1-CD1 4.27Å; F82-F262 HydrophobicContact CE1-CE1 4.43Å; I184-F262 HydrophobicContact CG1-CE1 4.36Å; N218-F262 WeakPolarHBondContact CA-O 3.37Å; N218-F262 HydrophobicContact CB-CB 4.05Å; N218-F262 HydrophobicContact CB-CD1 4.26Å; N218-F262 VanDerWaalsContact CB-O 3.23Å; N218-F262 WeakPolarHBondContact CB-O 3.48Å; T219-F262 PolarHBondContact N-O 3.18Å; T219-F262 VanDerWaalsContact N-O 3.14Å; T219-F262 WeakPolarHBondContact OG1-CA 3.49Å; T219-F262 PolarHBondContact OG1-O 3.23Å; F220-F262 AromaticContact CD2-CD1 3.57Å; F220-F262 HydrophobicContact CD2-CD1 3.57Å; F220-F262 AromaticContact CD2-CE1 3.49Å; F220-F262 HydrophobicContact CD2-CE1 3.49Å; F220-F262 VanDerWaalsContact CD2-CE1 3.49Å; F220-F262 AromaticContact CE2-CD1 3.46Å; F220-F262 HydrophobicContact CE2-CD1 3.46Å; F220-F262 VanDerWaalsContact CE2-CD1 3.46Å; F220-F262 AromaticContact CE2-CE1 3.24Å; F220-F262 HydrophobicContact CE2-CE1 3.24Å; F220-F262 HydrophobicContact CE2-CG 4.27Å; F220-F262 AromaticContact CE2-CZ 3.89Å; F220-F262 HydrophobicContact CE2-CZ 3.89Å; F220-F262 HydrophobicContact CZ-CE1 4.46Å; A259-F262 WeakPolarHBondContact O-CA 3.42Å; A259-F262 VanDerWaalsContact O-CB 3.31Å; A259-F262 WeakPolarHBondContact O-CB 3.49Å; A259-F262 PolarHBondContact O-N 3.31Å; E260-F262 PolarHBondContact O-N 3.1Å
263	V	97.8	Very high	96.5	Very high	57 Å²	57	75.4 Å²	75.4	35%	0.345	37%	0.365	S	S	.	.			trans	-70	137.6	-176	177.1	0	0	0	0	110.8	T219 L245 A259 E260	T219-V263 PolarHBondContact OG1-O 3.01Å; L245-V263 HydrophobicContact CD1-CG2 3.97Å; L245-V263 HydrophobicContact CD2-CG2 3.53Å; L245-V263 HydrophobicContact CG-CG2 3.69Å; A259-V263 PolarHBondContact O-N 3.04Å; E260-V263 PolarHBondContact O-N 3.32Å
264	I	98.3	Very high	96.9	Very high	5 Å²	5	70 Å²	70	3%	0.026	34%	0.343	C	S	.	.			trans	-118.2	153.3	172.4	60.5	174.3	0	0	0	109.8	I217 N218 V222 Q242 Q268 F269	I217-I264 HydrophobicContact CB-CD1 4.04Å; I217-I264 HydrophobicContact CG2-CD1 3.68Å; N218-I264 VanDerWaalsContact C-CG2 3.42Å; V222-I264 HydrophobicContact CB-CG2 4.2Å; V222-I264 HydrophobicContact CG1-CG2 4.45Å; V222-I264 HydrophobicContact CG2-CD1 3.87Å; V222-I264 HydrophobicContact CG2-CG2 4.23Å; Q242-I264 HydrophobicContact CG-CD1 4.41Å; Q242-I264 HydrophobicContact CG-CG1 4.07Å; Q242-I264 PolarHBondContact NE2-O 2.89Å; I264-Q268 HydrophobicContact CB-CB 4.2Å; I264-F269 HydrophobicContact CD1-CB 3.91Å; I264-F269 HydrophobicContact CD1-CD2 4.06Å; I264-F269 HydrophobicContact CD1-CG 4.47Å
265	T	97.9	Very high	97.3	Very high	79 Å²	79	67 Å²	67	49%	0.485	33%	0.329	S	S	.	.			trans	-68.8	159.8	173.8	63.9	0	0	0	0	111.6	Q267 Q268 F269	T265-Q267 PolarHBondContact O-N 2.57Å; T265-Q268 PolarHBondContact O-N 3.42Å; T265-Q268 WeakPolarHBondContact OG1-CB 3.47Å; T265-Q268 VanDerWaalsContact OG1-CG 3.26Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.4Å; T265-Q268 PolarHBondContact OG1-N 2.86Å; T265-Q268 VanDerWaalsContact OG1-N 3.17Å; T265-Q268 PolarHBondContact OG1-OE1 3.48Å; T265-F269 PolarHBondContact O-N 3.18Å
266	D	97.3	Very high	97.5	Very high	115 Å²	115	65.9 Å²	65.9	62%	0.615	32%	0.319	S	S	*	.	H	α-helix	trans	-60.7	-34.2	174.7	-65.9	-16.6	0	0	0	111.9	Q242 F269 Q270	Q242-D266 PolarHBondContact NE2-OD1 3.14Å; Q242-D266 PolarHBondContact OE1-OD1 2.9Å; D266-F269 PolarHBondContact O-N 3.21Å; D266-Q270 WeakPolarHBondContact O-CB 3.28Å; D266-Q270 PolarHBondContact O-N 3.13Å
267	Q	98.1	Very high	97.7	Very high	121 Å²	121	66.2 Å²	66.2	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-65.9	-48	176.1	-173.5	60.6	54.6	0	0	111.5	T265 F269 Q270 D271	T265-Q267 PolarHBondContact O-N 2.57Å; Q267-F269 PolarHBondContact O-N 3.37Å; Q267-Q270 WeakPolarHBondContact O-CB 3.45Å; Q267-Q270 PolarHBondContact O-N 3.22Å; Q267-D271 PolarHBondContact NE2-OD1 3.02Å; Q267-D271 PolarHBondContact O-N 2.89Å
268	Q	98.6	Very high	97.8	Very high	62 Å²	62	66.9 Å²	66.9	29%	0.29	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-37.5	176.5	-74.1	169.5	-58.3	0	0	112	V222 I264 T265 F272	V222-Q268 HydrophobicContact CG2-CB 3.85Å; V222-Q268 WeakPolarHBondContact CG2-O 3.28Å; I264-Q268 HydrophobicContact CB-CB 4.2Å; T265-Q268 PolarHBondContact O-N 3.42Å; T265-Q268 WeakPolarHBondContact OG1-CB 3.47Å; T265-Q268 VanDerWaalsContact OG1-CG 3.26Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.4Å; T265-Q268 PolarHBondContact OG1-N 2.86Å; T265-Q268 VanDerWaalsContact OG1-N 3.17Å; T265-Q268 PolarHBondContact OG1-OE1 3.48Å; Q268-F272 PolarHBondContact O-N 3.24Å
269	F	98.6	Very high	98	Very high	7 Å²	7	60 Å²	60	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-45.5	173.3	-174.4	-118	0	0	0	111.2	I217 V240 Q242 I264 T265 D266 Q267 D271 F272 L273	I217-F269 HydrophobicContact CB-CD2 4.07Å; I217-F269 HydrophobicContact CB-CE2 4.14Å; I217-F269 HydrophobicContact CG1-CD2 4.32Å; I217-F269 HydrophobicContact CG1-CE2 3.98Å; I217-F269 HydrophobicContact CG2-CD2 4.47Å; V240-F269 HydrophobicContact CG1-CE2 3.84Å; V240-F269 HydrophobicContact CG1-CZ 4.17Å; Q242-F269 HydrophobicContact CB-CD1 4.12Å; Q242-F269 HydrophobicContact CB-CD2 3.88Å; Q242-F269 HydrophobicContact CB-CE1 4.17Å; Q242-F269 HydrophobicContact CB-CE2 3.93Å; Q242-F269 HydrophobicContact CB-CG 3.97Å; Q242-F269 HydrophobicContact CB-CZ 4.08Å; Q242-F269 HydrophobicContact CG-CB 4.21Å; Q242-F269 HydrophobicContact CG-CD1 4.46Å; Q242-F269 HydrophobicContact CG-CD2 4.2Å; Q242-F269 HydrophobicContact CG-CG 4.05Å; I264-F269 HydrophobicContact CD1-CB 3.91Å; I264-F269 HydrophobicContact CD1-CD2 4.06Å; I264-F269 HydrophobicContact CD1-CG 4.47Å; T265-F269 PolarHBondContact O-N 3.18Å; D266-F269 PolarHBondContact O-N 3.21Å; Q267-F269 PolarHBondContact O-N 3.37Å; F269-D271 VanDerWaalsContact C-N 3.33Å; F269-D271 PolarHBondContact O-N 3.32Å; F269-F272 WeakPolarHBondContact O-CB 3.44Å; F269-F272 PolarHBondContact O-N 2.79Å; F269-L273 HydrophobicContact CD1-CD1 4.17Å; F269-L273 HydrophobicContact CD1-CG 4.49Å; F269-L273 HydrophobicContact CE1-CD1 3.87Å; F269-L273 HydrophobicContact CE1-CD2 4.36Å; F269-L273 HydrophobicContact CE1-CG 4.31Å; F269-L273 HydrophobicContact CE2-CD2 4.35Å; F269-L273 HydrophobicContact CZ-CD1 4.4Å; F269-L273 HydrophobicContact CZ-CD2 4.06Å; F269-L273 HydrophobicContact CZ-CG 4.47Å; F269-L273 WeakPolarHBondContact O-CG 3.44Å; F269-L273 PolarHBondContact O-N 3.38Å
270	Q	98.4	Very high	98	Very high	81 Å²	81	66 Å²	66	38%	0.379	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-41.2	177	-172.1	59.4	50.9	0	0	112.1	D266 Q267 F272 L273 D274	D266-Q270 WeakPolarHBondContact O-CB 3.28Å; D266-Q270 PolarHBondContact O-N 3.13Å; Q267-Q270 WeakPolarHBondContact O-CB 3.45Å; Q267-Q270 PolarHBondContact O-N 3.22Å; Q270-F272 VanDerWaalsContact C-N 3.3Å; Q270-F272 PolarHBondContact O-N 2.93Å; Q270-L273 WeakPolarHBondContact O-CA 3.42Å; Q270-L273 WeakPolarHBondContact O-CB 3.35Å; Q270-L273 PolarHBondContact O-N 3.43Å; Q270-D274 PolarHBondContact NE2-OD1 3.17Å; Q270-D274 PolarHBondContact O-N 2.81Å
271	D	98.6	Very high	97.9	Very high	83 Å²	83	62.7 Å²	62.7	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-60.3	-40.9	176.4	-60.7	-19.6	0	0	0	111.1	Q267 F269 L273 D274 H275	Q267-D271 PolarHBondContact NE2-OD1 3.02Å; Q267-D271 PolarHBondContact O-N 2.89Å; F269-D271 VanDerWaalsContact C-N 3.33Å; F269-D271 PolarHBondContact O-N 3.32Å; D271-L273 VanDerWaalsContact C-N 3.34Å; D271-L273 PolarHBondContact O-N 3.26Å; D271-D274 PolarHBondContact O-N 3.3Å; D271-H275 WeakPolarHBondContact O-CB 3.49Å; D271-H275 PolarHBondContact O-N 2.94Å
272	F	98.8	Very high	98	Very high	3 Å²	3	56.8 Å²	56.8	1%	0.013	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-41	172.8	-177.2	-83.6	0	0	0	111.6	I217 E224 M226 W238 V240 Q268 F269 Q270 H276	I217-F272 HydrophobicContact CD1-CD1 4.03Å; I217-F272 HydrophobicContact CD1-CD2 4.35Å; I217-F272 HydrophobicContact CD1-CE1 3.5Å; I217-F272 VanDerWaalsContact CD1-CE1 3.5Å; I217-F272 HydrophobicContact CD1-CE2 3.85Å; I217-F272 HydrophobicContact CD1-CG 4.45Å; I217-F272 HydrophobicContact CD1-CZ 3.4Å; I217-F272 HydrophobicContact CG1-CD1 3.88Å; I217-F272 HydrophobicContact CG1-CE1 3.85Å; I217-F272 HydrophobicContact CG1-CG 4.29Å; I217-F272 HydrophobicContact CG1-CZ 4.19Å; I217-F272 HydrophobicContact CG2-CB 4.28Å; I217-F272 HydrophobicContact CG2-CD1 4.38Å; I217-F272 HydrophobicContact CG2-CD2 3.94Å; I217-F272 HydrophobicContact CG2-CE2 4.4Å; I217-F272 HydrophobicContact CG2-CG 3.93Å; E224-F272 WeakPolarHBondContact O-CE2 3.47Å; M226-F272 HydrophobicContact CE-CE2 4.07Å; M226-F272 HydrophobicContact CE-CZ 4.07Å; M226-F272 HydrophobicContact CG-CZ 4.45Å; M226-F272 HydrophobicContact SD-CE2 4.5Å; M226-F272 HydrophobicContact SD-CZ 3.99Å; W238-F272 HydrophobicContact CH2-CE1 4Å; W238-F272 HydrophobicContact CH2-CZ 4.05Å; W238-F272 HydrophobicContact CZ2-CE1 4.14Å; W238-F272 HydrophobicContact CZ2-CZ 4.09Å; V240-F272 HydrophobicContact CG1-CD1 4.02Å; V240-F272 HydrophobicContact CG1-CE1 3.8Å; Q268-F272 PolarHBondContact O-N 3.24Å; F269-F272 WeakPolarHBondContact O-CB 3.44Å; F269-F272 PolarHBondContact O-N 2.79Å; Q270-F272 VanDerWaalsContact C-N 3.3Å; Q270-F272 PolarHBondContact O-N 2.93Å; F272-H276 AromaticContact CD1-ND1 3.78Å; F272-H276 AromaticContact CD2-CE1 3.79Å; F272-H276 AromaticContact CE1-CE1 3.82Å; F272-H276 AromaticContact CE1-ND1 3.58Å; F272-H276 AromaticContact CE2-CE1 3.36Å; F272-H276 WeakPolarHBondContact CE2-CE1 3.28Å; F272-H276 AromaticContact CE2-ND1 3.89Å; F272-H276 AromaticContact CZ-CE1 3.36Å; F272-H276 WeakPolarHBondContact CZ-CE1 3.42Å; F272-H276 AromaticContact CZ-ND1 3.64Å; F272-H276 AromaticContact CZ-NE2 3.99Å; F272-H276 PolarHBondContact O-N 2.81Å; F272-H276 PolarHBondContact O-ND1 3.23Å
273	L	98.6	Very high	98	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-66.1	-42.3	177.9	-59.8	-175.9	0	0	0	112.2	V240 F269 Q270 D271 H275 H276 S277 L282 P284	V240-L273 HydrophobicContact CB-CD2 4.47Å; V240-L273 HydrophobicContact CG1-CD2 3.93Å; F269-L273 HydrophobicContact CD1-CD1 4.17Å; F269-L273 HydrophobicContact CD1-CG 4.49Å; F269-L273 HydrophobicContact CE1-CD1 3.87Å; F269-L273 HydrophobicContact CE1-CD2 4.36Å; F269-L273 HydrophobicContact CE1-CG 4.31Å; F269-L273 HydrophobicContact CE2-CD2 4.35Å; F269-L273 HydrophobicContact CZ-CD1 4.4Å; F269-L273 HydrophobicContact CZ-CD2 4.06Å; F269-L273 HydrophobicContact CZ-CG 4.47Å; F269-L273 WeakPolarHBondContact O-CG 3.44Å; F269-L273 PolarHBondContact O-N 3.38Å; Q270-L273 WeakPolarHBondContact O-CA 3.42Å; Q270-L273 WeakPolarHBondContact O-CB 3.35Å; Q270-L273 PolarHBondContact O-N 3.43Å; D271-L273 VanDerWaalsContact C-N 3.34Å; D271-L273 PolarHBondContact O-N 3.26Å; L273-H275 VanDerWaalsContact C-N 3.33Å; L273-H276 CarbonylContact O-C 3.55Å; L273-H276 PolarHBondContact O-N 3.44Å; L273-S277 PolarHBondContact O-N 2.78Å; L273-S277 VanDerWaalsContact O-N 3.1Å; L273-L282 HydrophobicContact CD2-CD2 4.18Å; L273-P284 HydrophobicContact CD1-CB 3.53Å; L273-P284 HydrophobicContact CD1-CG 4.23Å; L273-P284 HydrophobicContact CD2-CB 3.71Å; L273-P284 HydrophobicContact CG-CB 4.28Å
274	D	98.5	Very high	97.9	Very high	92 Å²	92	56.9 Å²	56.9	49%	0.492	33%	0.329	S	S	.	.	H	α-helix	trans	-66	-38.9	-179.8	-69	-12.6	0	0	0	110.8	Q270 D271 H276 S277	Q270-D274 PolarHBondContact NE2-OD1 3.17Å; Q270-D274 PolarHBondContact O-N 2.81Å; D271-D274 PolarHBondContact O-N 3.3Å; D274-H276 VanDerWaalsContact C-N 3.26Å; D274-H276 PolarHBondContact O-N 2.76Å; D274-S277 WeakPolarHBondContact O-CB 3.43Å; D274-S277 PolarHBondContact O-N 3.09Å; D274-S277 PolarHBondContact O-OG 2.82Å
275	H	98.3	Very high	97.6	Very high	98 Å²	98	56.7 Å²	56.7	45%	0.454	33%	0.328	S	S	.	.	H	α-helix	trans	-59.5	-36.9	173.7	-169.1	-178.4	0	0	0	112.3	D225 D271 L273	D225-H275 IonicContact OD2-NE2 2.89Å; D271-H275 WeakPolarHBondContact O-CB 3.49Å; D271-H275 PolarHBondContact O-N 2.94Å; L273-H275 VanDerWaalsContact C-N 3.33Å
276	H	98.6	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	18.7	-177.4	-61.1	89.5	0	0	0	113.6	E224 D225 M226 T227 W238 F272 L273 D274 A278 V279 L282	E224-H276 PolarHBondContact O-CE1 3.33Å; E224-H276 VanDerWaalsContact O-CE1 3.23Å; D225-H276 IonicContact OD1-CD2 3.21Å; D225-H276 IonicContact OD1-NE2 3.89Å; M226-H276 PolarHBondContact N-NE2 3.43Å; T227-H276 PolarHBondContact OG1-CD2 3.12Å; T227-H276 VanDerWaalsContact OG1-CD2 3.32Å; W238-H276 HydrophobicContact CH2-CB 4.3Å; W238-H276 AromaticContact CH2-CD2 3.74Å; W238-H276 AromaticContact CH2-CG 3.94Å; W238-H276 HydrophobicContact CZ3-CB 4.06Å; F272-H276 AromaticContact CD1-ND1 3.78Å; F272-H276 AromaticContact CD2-CE1 3.79Å; F272-H276 AromaticContact CE1-CE1 3.82Å; F272-H276 AromaticContact CE1-ND1 3.58Å; F272-H276 AromaticContact CE2-CE1 3.36Å; F272-H276 WeakPolarHBondContact CE2-CE1 3.28Å; F272-H276 AromaticContact CE2-ND1 3.89Å; F272-H276 AromaticContact CZ-CE1 3.36Å; F272-H276 WeakPolarHBondContact CZ-CE1 3.42Å; F272-H276 AromaticContact CZ-ND1 3.64Å; F272-H276 AromaticContact CZ-NE2 3.99Å; F272-H276 PolarHBondContact O-N 2.81Å; F272-H276 PolarHBondContact O-ND1 3.23Å; L273-H276 CarbonylContact O-C 3.55Å; L273-H276 PolarHBondContact O-N 3.44Å; D274-H276 VanDerWaalsContact C-N 3.26Å; D274-H276 PolarHBondContact O-N 2.76Å; H276-A278 PolarHBondContact O-N 3.37Å; H276-V279 HydrophobicContact CB-CG2 4.37Å; H276-V279 WeakPolarHBondContact O-CB 3.48Å; H276-V279 PolarHBondContact O-N 3.14Å; H276-L282 HydrophobicContact CB-CD1 3.62Å
277	S	97.8	Very high	97.1	Very high	98 Å²	98	49.6 Å²	49.6	69%	0.685	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.3	-173.2	73.2	0	0	0	0	113.9	L273 D274 V279	L273-S277 PolarHBondContact O-N 2.78Å; L273-S277 VanDerWaalsContact O-N 3.1Å; D274-S277 WeakPolarHBondContact O-CB 3.43Å; D274-S277 PolarHBondContact O-N 3.09Å; D274-S277 PolarHBondContact O-OG 2.82Å; S277-V279 VanDerWaalsContact C-N 3.31Å
278	A	97.5	Very high	96.4	Very high	87 Å²	87	50.3 Å²	50.3	72%	0.719	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.4	176.4	0	0	0	0	0	113.5	H276 S280	H276-A278 PolarHBondContact O-N 3.37Å; A278-S280 PolarHBondContact O-N 2.76Å; A278-S280 VanDerWaalsContact O-N 3.14Å
279	V	98.1	Very high	95.6	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.03	29%	0.29	C	S	.	.			trans	-80.5	97.9	-178.8	-176.5	0	0	0	0	110	T227 I230 W238 H276 S277 C281 L282	T227-V279 HydrophobicContact CG2-CG2 4.01Å; I230-V279 HydrophobicContact CG2-CG1 3.67Å; W238-V279 HydrophobicContact CE3-CB 4.31Å; W238-V279 HydrophobicContact CE3-CG1 3.72Å; W238-V279 HydrophobicContact CZ3-CB 4.2Å; W238-V279 HydrophobicContact CZ3-CG1 4.04Å; W238-V279 HydrophobicContact CZ3-CG2 4.21Å; H276-V279 HydrophobicContact CB-CG2 4.37Å; H276-V279 WeakPolarHBondContact O-CB 3.48Å; H276-V279 PolarHBondContact O-N 3.14Å; S277-V279 VanDerWaalsContact C-N 3.31Å; V279-C281 PolarHBondContact O-N 2.99Å; V279-C281 VanDerWaalsContact O-N 3.12Å; V279-L282 HydrophobicContact CB-CB 4.3Å; V279-L282 HydrophobicContact CG1-CB 4.35Å; V279-L282 WeakPolarHBondContact O-CB 3.45Å; V279-L282 PolarHBondContact O-N 2.85Å; V279-L282 VanDerWaalsContact O-N 3.09Å
280	S	95.8	Very high	94.9	Very high	125 Å²	125	50.5 Å²	50.5	87%	0.874	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.4	-172.7	63.7	0	0	0	0	115.6	A278 L282	A278-S280 PolarHBondContact O-N 2.76Å; A278-S280 VanDerWaalsContact O-N 3.14Å; S280-L282 VanDerWaalsContact C-N 3.34Å
281	C	96.6	Very high	94	Very high	24 Å²	24	52.4 Å²	52.4	16%	0.162	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.4	-178.3	69.1	0	0	0	0	113.7	P235 W238 V279	P235-C281 WeakPolarHBondContact O-CB 3.25Å; W238-C281 PolarHBondContact N-O 2.77Å; V279-C281 PolarHBondContact O-N 2.99Å; V279-C281 VanDerWaalsContact O-N 3.12Å
282	L	98.2	Very high	93.2	Very high	30 Å²	30	50.4 Å²	50.4	16%	0.157	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.4	179.6	-173.9	163.1	0	0	0	111.1	W238 V240 L273 H276 V279 S280 P284	W238-L282 HydrophobicContact CE3-CB 3.96Å; W238-L282 HydrophobicContact CE3-CD1 4Å; W238-L282 HydrophobicContact CE3-CG 4Å; W238-L282 HydrophobicContact CH2-CD1 4.47Å; W238-L282 HydrophobicContact CZ3-CB 4.49Å; W238-L282 HydrophobicContact CZ3-CD1 3.75Å; W238-L282 HydrophobicContact CZ3-CG 4.27Å; W238-L282 CarbonylContact O-C 3.43Å; W238-L282 WeakPolarHBondContact O-CA 3.35Å; V240-L282 HydrophobicContact CG2-CD1 4.3Å; V240-L282 HydrophobicContact CG2-CD2 4.46Å; V240-L282 HydrophobicContact CG2-CG 3.89Å; L273-L282 HydrophobicContact CD2-CD2 4.18Å; H276-L282 HydrophobicContact CB-CD1 3.62Å; V279-L282 HydrophobicContact CB-CB 4.3Å; V279-L282 HydrophobicContact CG1-CB 4.35Å; V279-L282 WeakPolarHBondContact O-CB 3.45Å; V279-L282 PolarHBondContact O-N 2.85Å; V279-L282 VanDerWaalsContact O-N 3.09Å; S280-L282 VanDerWaalsContact C-N 3.34Å; L282-P284 HydrophobicContact CD2-CB 4.15Å; L282-P284 HydrophobicContact CD2-CG 4.21Å
283	V	97.6	Very high	92.6	Very high	21 Å²	21	50.3 Å²	50.3	13%	0.127	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	107.1	176.1	-174.6	0	0	0	0	110.2	R237 W238 K239 V240	R237-V283 HydrophobicContact CG-CG2 4Å; W238-V283 PolarHBondContact O-N 3.2Å; K239-V283 HydrophobicContact CD-CB 4.02Å; K239-V283 HydrophobicContact CD-CG1 4.07Å; V240-V283 PolarHBondContact N-O 2.86Å
284	P	96.6	Very high	92.2	Very high	39 Å²	39	51.7 Å²	51.7	25%	0.253	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.8	-172.2	32.6	-33.4	0	0	0	112.3	V240 L273 L282	V240-P284 WeakPolarHBondContact O-CA 3.44Å; L273-P284 HydrophobicContact CD1-CB 3.53Å; L273-P284 HydrophobicContact CD1-CG 4.23Å; L273-P284 HydrophobicContact CD2-CB 3.71Å; L273-P284 HydrophobicContact CG-CB 4.28Å; L282-P284 HydrophobicContact CD2-CB 4.15Å; L282-P284 HydrophobicContact CD2-CG 4.21Å
285	E	92.4	Very high	92.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	94.2	175.7	-65.6	-161.4	-167.3	0	0	110.5	K239 V240 F241 Q242 M290 Y294 R339	K239-E285 HydrophobicContact CD-CG 4.32Å; K239-E285 WeakPolarHBondContact CD-OE1 3.47Å; K239-E285 WeakPolarHBondContact CE-OE1 3.24Å; K239-E285 IonicContact NZ-OE1 2.86Å; K239-E285 PolarHBondContact NZ-OE1 2.93Å; V240-E285 PolarHBondContact O-N 3.29Å; F241-E285 WeakPolarHBondContact CA-O 3.27Å; F241-E285 HydrophobicContact CD1-CB 3.68Å; F241-E285 HydrophobicContact CD1-CG 4.27Å; F241-E285 HydrophobicContact CE1-CB 4.13Å; F241-E285 HydrophobicContact CE1-CG 4.22Å; F241-E285 WeakPolarHBondContact CE1-OE2 3.36Å; Q242-E285 PolarHBondContact N-O 2.97Å; E285-M290 HydrophobicContact CB-CG 3.75Å; E285-M290 HydrophobicContact CB-SD 4.43Å; E285-Y294 PolarHBondContact OE1-OH 2.81Å; E285-Y294 VanDerWaalsContact OE2-CE2 3.25Å; E285-Y294 WeakPolarHBondContact OE2-CE2 3.31Å; E285-Y294 VanDerWaalsContact OE2-CZ 3.32Å; E285-Y294 PolarHBondContact OE2-OH 2.62Å; E285-R339 IonicContact OE1-CZ 3.15Å; E285-R339 IonicContact OE1-NH1 3.01Å; E285-R339 PolarHBondContact OE1-NH1 2.93Å; E285-R339 IonicContact OE2-NH1 3.17Å
286	S	93.1	Very high	92	Very high	23 Å²	23	43.8 Å²	43.8	16%	0.161	25%	0.25	C	C	.	.			trans	-67.4	167.3	169.5	61	0	0	0	0	111.3	E288 K289 M290	S286-E288 VanDerWaalsContact C-N 3.25Å; S286-E288 PolarHBondContact O-N 3.28Å; S286-K289 PolarHBondContact O-N 2.91Å; S286-M290 PolarHBondContact O-N 2.81Å
287	N	90.1	Very high	92	Very high	23 Å²	23	43.8 Å²	43.8	12%	0.123	25%	0.25	C	C	.	.	H	α-helix	trans	-56	-39	178	-73.9	-16	0	0	0	112.9	Q242 C243 L244 K289 M290 R291	Q242-N287 PolarHBondContact O-OD1 2.64Å; C243-N287 PolarHBondContact O-ND2 3.23Å; C243-N287 PolarHBondContact O-OD1 3.49Å; L244-N287 WeakPolarHBondContact CA-OD1 3.18Å; L244-N287 WeakPolarHBondContact CB-OD1 3.46Å; L244-N287 HydrophobicContact CD1-CB 3.94Å; N287-K289 VanDerWaalsContact C-N 3.35Å; N287-K289 PolarHBondContact O-N 2.77Å; N287-M290 PolarHBondContact O-N 2.86Å; N287-M290 WeakPolarHBondContact OD1-CE 3.44Å; N287-R291 WeakPolarHBondContact O-CG 3.48Å; N287-R291 PolarHBondContact O-N 3.26Å
288	E	84.1	Confident	92	Very high	135 Å²	135	39.1 Å²	39.1	63%	0.631	22%	0.217	S	C	*	.	H	α-helix	trans	-59.5	-43.5	174.1	-170.6	-162.7	150.2	0	0	112	S286	S286-E288 VanDerWaalsContact C-N 3.25Å; S286-E288 PolarHBondContact O-N 3.28Å
289	K	82.5	Confident	92.1	Very high	59 Å²	59	35 Å²	35	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-71.4	-30.3	-179.3	-69.3	175.4	179.9	172.2	0	112.5	S286 N287 S293 M335	S286-K289 PolarHBondContact O-N 2.91Å; N287-K289 VanDerWaalsContact C-N 3.35Å; N287-K289 PolarHBondContact O-N 2.77Å; K289-S293 WeakPolarHBondContact O-CB 3.35Å; K289-S293 PolarHBondContact O-OG 3.39Å; K289-M335 HydrophobicContact CB-SD 4.44Å; K289-M335 HydrophobicContact CG-SD 4.2Å
290	M	82.3	Confident	92.1	Very high	15 Å²	15	38.4 Å²	38.4	7%	0.074	20%	0.196	C	C	.	.	H	α-helix	trans	-82	-44.7	-173.5	-73.5	-166.9	-72.1	0	0	114.1	F241 Q242 L244 E285 S286 N287 N292 S293	F241-M290 HydrophobicContact CB-CE 4.37Å; F241-M290 HydrophobicContact CB-SD 3.89Å; F241-M290 HydrophobicContact CD1-CG 4.19Å; F241-M290 HydrophobicContact CD1-SD 3.42Å; F241-M290 WeakPolarHBondContact CD1-SD 3.22Å; F241-M290 HydrophobicContact CE1-SD 4.32Å; F241-M290 HydrophobicContact CG-SD 4.04Å; Q242-M290 WeakPolarHBondContact O-CE 3.23Å; L244-M290 HydrophobicContact CB-CE 3.79Å; L244-M290 HydrophobicContact CD2-CB 4.34Å; L244-M290 HydrophobicContact CD2-CE 4.26Å; L244-M290 HydrophobicContact CG-CE 4.5Å; E285-M290 HydrophobicContact CB-CG 3.75Å; E285-M290 HydrophobicContact CB-SD 4.43Å; S286-M290 PolarHBondContact O-N 2.81Å; N287-M290 PolarHBondContact O-N 2.86Å; N287-M290 WeakPolarHBondContact OD1-CE 3.44Å; M290-N292 VanDerWaalsContact C-N 3.33Å; M290-N292 PolarHBondContact O-N 2.99Å; M290-N292 VanDerWaalsContact O-N 3.07Å; M290-S293 PolarHBondContact O-N 3.17Å; M290-S293 PolarHBondContact O-OG 2.95Å
291	R	79.4	Confident	92.2	Very high	120 Å²	120	32.5 Å²	32.5	45%	0.453	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-50.4	-160.9	-81.5	177.2	-173.1	165.5	2.9	113.9	L244 N287 C306	L244-R291 HydrophobicContact CD1-CG 3.99Å; L244-R291 HydrophobicContact CD2-CG 4.48Å; N287-R291 WeakPolarHBondContact O-CG 3.48Å; N287-R291 PolarHBondContact O-N 3.26Å; R291-C306 WeakPolarHBondContact O-CB 3.48Å
292	N	82.6	Confident	92.3	Very high	42 Å²	42	34.7 Å²	34.7	23%	0.225	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	9.7	-171.3	-56.4	-37.6	0	0	0	114.3	M290 Y294 C306 R307 D332	M290-N292 VanDerWaalsContact C-N 3.33Å; M290-N292 PolarHBondContact O-N 2.99Å; M290-N292 VanDerWaalsContact O-N 3.07Å; N292-Y294 VanDerWaalsContact C-N 3.34Å; N292-Y294 PolarHBondContact O-N 3.01Å; N292-C306 PolarHBondContact OD1-O 3.03Å; N292-R307 VanDerWaalsContact OD1-CA 3.28Å; N292-R307 WeakPolarHBondContact OD1-CA 3.4Å; N292-R307 WeakPolarHBondContact OD1-CG 3.26Å; N292-R307 PolarHBondContact OD1-N 3.39Å; N292-R307 VanDerWaalsContact OD1-N 3.09Å; N292-D332 HydrophobicContact CB-CB 4.15Å; N292-D332 PolarHBondContact O-N 3.46Å
293	S	86	Confident	92.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-95.8	13.2	-172.4	68.9	0	0	0	0	113.6	K289 M290 R339	K289-S293 WeakPolarHBondContact O-CB 3.35Å; K289-S293 PolarHBondContact O-OG 3.39Å; M290-S293 PolarHBondContact O-N 3.17Å; M290-S293 PolarHBondContact O-OG 2.95Å; S293-R339 VanDerWaalsContact CB-NE 3.33Å; S293-R339 PolarHBondContact O-NE 2.95Å; S293-R339 PolarHBondContact O-NH2 3.33Å; S293-R339 WeakPolarHBondContact OG-CD 3.4Å; S293-R339 PolarHBondContact OG-NE 3.46Å
294	Y	91.3	Very high	92.2	Very high	50 Å²	50	32.5 Å²	32.5	20%	0.196	15%	0.147	C	C	.	.			trans	-127.1	131.3	179.9	-72.6	-94.7	0	0	0	110	N69 E285 N292 I296 R339	N69-Y294 WeakPolarHBondContact ND2-CD1 3.47Å; E285-Y294 PolarHBondContact OE1-OH 2.81Å; E285-Y294 VanDerWaalsContact OE2-CE2 3.25Å; E285-Y294 WeakPolarHBondContact OE2-CE2 3.31Å; E285-Y294 VanDerWaalsContact OE2-CZ 3.32Å; E285-Y294 PolarHBondContact OE2-OH 2.62Å; N292-Y294 VanDerWaalsContact C-N 3.34Å; N292-Y294 PolarHBondContact O-N 3.01Å; Y294-I296 PolarHBondContact O-N 3.09Å; Y294-R339 VanDerWaalsContact CD1-NH2 3.31Å; Y294-R339 VanDerWaalsContact CE2-CZ 3.49Å; Y294-R339 PolarHBondContact OH-NH1 3.03Å
295	L	95.6	Very high	92.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	112.8	159.2	-72.4	168.3	0	0	0	108.3	P65 V68 N69 F303 I326 F331	P65-L295 HydrophobicContact CB-CD1 3.86Å; V68-L295 HydrophobicContact CG2-CB 4.48Å; V68-L295 HydrophobicContact CG2-CD1 4.48Å; N69-L295 PolarHBondContact N-O 3.45Å; N69-L295 PolarHBondContact ND2-O 3.02Å; L295-F303 HydrophobicContact CB-CD1 4.49Å; L295-F303 HydrophobicContact CB-CE1 4.22Å; L295-F303 HydrophobicContact CD2-CD1 4.05Å; L295-F303 HydrophobicContact CD2-CE1 4Å; L295-I326 HydrophobicContact CD1-CD1 4.02Å; L295-I326 HydrophobicContact CD2-CD1 3.97Å; L295-I326 HydrophobicContact CD2-CG1 3.92Å; L295-F331 HydrophobicContact CD1-CD1 4.34Å; L295-F331 HydrophobicContact CD1-CE1 4.33Å; L295-F331 HydrophobicContact CD1-CG 4.41Å; L295-F331 HydrophobicContact CD1-CZ 4.42Å; L295-F331 HydrophobicContact CD2-CB 3.6Å; L295-F331 HydrophobicContact CD2-CD1 4.28Å; L295-F331 HydrophobicContact CD2-CD2 4.01Å; L295-F331 HydrophobicContact CD2-CG 3.71Å; L295-F331 HydrophobicContact CG-CB 4.21Å; L295-F331 HydrophobicContact CG-CD1 4.17Å; L295-F331 HydrophobicContact CG-CD2 3.65Å; L295-F331 HydrophobicContact CG-CE1 4.42Å; L295-F331 HydrophobicContact CG-CE2 3.95Å; L295-F331 HydrophobicContact CG-CG 3.75Å; L295-F331 HydrophobicContact CG-CZ 4.31Å
296	I	96.9	Very high	92.1	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.108	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.2	-179.3	-53.7	173.7	0	0	0	108	N69 Y294 F303 L304	N69-I296 CarbonylContact O-C 3.59Å; N69-I296 WeakPolarHBondContact O-CA 3.44Å; Y294-I296 PolarHBondContact O-N 3.09Å; I296-F303 CarbonylContact O-C 3.14Å; I296-F303 VanDerWaalsContact O-CA 3.29Å; I296-F303 WeakPolarHBondContact O-CA 3.45Å; I296-L304 HydrophobicContact CB-CB 4.35Å; I296-L304 HydrophobicContact CG2-CD1 3.86Å; I296-L304 HydrophobicContact CG2-CG 4.35Å; I296-L304 PolarHBondContact O-N 3.45Å
297	L	97.9	Very high	91.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.8	167.2	-75.2	175.5	0	0	0	109.3	V68 N69 Y70 H71 L105 R302 F303 I317	V68-L297 HydrophobicContact CG1-CB 4.44Å; V68-L297 HydrophobicContact CG1-CD1 3.61Å; V68-L297 HydrophobicContact CG1-CG 3.84Å; N69-L297 PolarHBondContact O-N 3.45Å; Y70-L297 HydrophobicContact CD2-CB 3.97Å; H71-L297 WeakPolarHBondContact CB-O 2.94Å; H71-L297 PolarHBondContact N-O 3.19Å; L105-L297 HydrophobicContact CD1-CD1 3.44Å; L105-L297 VanDerWaalsContact CD1-CD1 3.44Å; L105-L297 HydrophobicContact CD2-CD1 4.1Å; L105-L297 HydrophobicContact CG-CD1 4.31Å; L297-R302 WeakPolarHBondContact CA-O 3.43Å; L297-F303 HydrophobicContact CD1-CE1 4.47Å; L297-F303 HydrophobicContact CD2-CD1 3.59Å; L297-F303 HydrophobicContact CD2-CD2 4.08Å; L297-F303 HydrophobicContact CD2-CE1 3.66Å; L297-F303 HydrophobicContact CD2-CE2 4.15Å; L297-F303 HydrophobicContact CD2-CG 3.81Å; L297-F303 HydrophobicContact CD2-CZ 3.96Å; L297-F303 HydrophobicContact CG-CD1 4.01Å; L297-F303 HydrophobicContact CG-CE1 3.84Å; L297-F303 HydrophobicContact CG-CZ 4.41Å; L297-I317 HydrophobicContact CD1-CD1 4.25Å; L297-I317 HydrophobicContact CD2-CG2 4.25Å
298	D	98.4	Very high	91.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	19%	0.187	C	C	.	.			trans	-80.9	-174.8	174	80.6	-5.6	0	0	0	113	Y70 H71 Y300 M301 R302 L304	Y70-D298 VanDerWaalsContact CE2-O 3.3Å; Y70-D298 WeakPolarHBondContact CE2-O 3.3Å; H71-D298 CarbonylContact O-C 3.56Å; D298-Y300 PolarHBondContact O-N 3.06Å; D298-Y300 VanDerWaalsContact O-N 3.12Å; D298-Y300 WeakPolarHBondContact OD1-CA 3.31Å; D298-Y300 PolarHBondContact OD1-N 3.03Å; D298-M301 PolarHBondContact O-N 3.32Å; D298-M301 PolarHBondContact OD1-N 2.85Å; D298-R302 PolarHBondContact N-O 3.34Å; D298-R302 WeakPolarHBondContact OD1-CB 3.4Å; D298-R302 PolarHBondContact OD1-N 3.07Å; D298-R302 IonicContact OD1-NE 2.67Å; D298-R302 IonicContact OD2-CZ 2.84Å; D298-R302 IonicContact OD2-NE 3.13Å; D298-R302 PolarHBondContact OD2-NE 3.41Å; D298-R302 IonicContact OD2-NH2 2.65Å; D298-R302 PolarHBondContact OD2-NH2 2.89Å; D298-L304 HydrophobicContact CB-CD1 3.99Å; D298-L304 HydrophobicContact CB-CD2 3.89Å; D298-L304 HydrophobicContact CB-CG 4.07Å
299	E	98.4	Very high	92	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.2	-176.3	69.8	-83.9	-160.2	0	0	114.5	H71 R74 T89 F91	H71-E299 WeakPolarHBondContact O-CA 3.47Å; H71-E299 PolarHBondContact O-N 3.43Å; R74-E299 VanDerWaalsContact CD-OE1 3.28Å; R74-E299 WeakPolarHBondContact CD-OE1 3.4Å; R74-E299 WeakPolarHBondContact CD-OE2 3.44Å; R74-E299 IonicContact CZ-OE2 3.9Å; R74-E299 IonicContact NE-OE1 3.42Å; R74-E299 PolarHBondContact NE-OE1 3.28Å; R74-E299 IonicContact NE-OE2 3.71Å; R74-E299 PolarHBondContact NE-OE2 2.88Å; T89-E299 VanDerWaalsContact CG2-OE1 3.26Å; T89-E299 WeakPolarHBondContact CG2-OE1 3.42Å; T89-E299 PolarHBondContact OG1-OE1 3.17Å; F91-E299 HydrophobicContact CB-CG 4.3Å; F91-E299 HydrophobicContact CD1-CB 4.37Å; F91-E299 HydrophobicContact CD1-CG 3.96Å; F91-E299 WeakPolarHBondContact CD1-O 3.17Å; F91-E299 WeakPolarHBondContact CE1-O 3.32Å
300	Y	98.5	Very high	92.4	Very high	77 Å²	77	40.4 Å²	40.4	30%	0.302	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	7.3	174.5	-58.3	-84.9	0	0	0	112.3	T89 F91 D298 R302 S316	T89-Y300 HydrophobicContact CG2-CE2 4.42Å; F91-Y300 HydrophobicContact CB-CE1 4.03Å; F91-Y300 WeakPolarHBondContact CB-OH 3.28Å; F91-Y300 AromaticContact CD1-CD1 3.44Å; F91-Y300 HydrophobicContact CD1-CD1 3.44Å; F91-Y300 VanDerWaalsContact CD1-CD1 3.44Å; F91-Y300 HydrophobicContact CD1-CD2 4.43Å; F91-Y300 AromaticContact CD1-CE1 3.21Å; F91-Y300 HydrophobicContact CD1-CE1 3.21Å; F91-Y300 HydrophobicContact CD1-CE2 4.26Å; F91-Y300 HydrophobicContact CD1-CG 4.05Å; F91-Y300 AromaticContact CD1-CZ 3.65Å; F91-Y300 AromaticContact CD2-CE1 3.9Å; F91-Y300 HydrophobicContact CD2-CE1 3.9Å; F91-Y300 AromaticContact CE1-CD1 3.28Å; F91-Y300 HydrophobicContact CE1-CD1 3.28Å; F91-Y300 AromaticContact CE1-CE1 3.46Å; F91-Y300 HydrophobicContact CE1-CE1 3.46Å; F91-Y300 VanDerWaalsContact CE1-CE1 3.46Å; F91-Y300 HydrophobicContact CE1-CG 4.04Å; F91-Y300 HydrophobicContact CE2-CE1 4.13Å; F91-Y300 HydrophobicContact CG-CD1 4.14Å; F91-Y300 AromaticContact CG-CE1 3.43Å; F91-Y300 HydrophobicContact CG-CE1 3.43Å; F91-Y300 VanDerWaalsContact CG-CE1 3.43Å; F91-Y300 AromaticContact CG-CZ 3.71Å; F91-Y300 AromaticContact CZ-CD1 3.89Å; F91-Y300 HydrophobicContact CZ-CD1 3.89Å; F91-Y300 AromaticContact CZ-CE1 3.92Å; F91-Y300 HydrophobicContact CZ-CE1 3.92Å; D298-Y300 PolarHBondContact O-N 3.06Å; D298-Y300 VanDerWaalsContact O-N 3.12Å; D298-Y300 WeakPolarHBondContact OD1-CA 3.31Å; D298-Y300 PolarHBondContact OD1-N 3.03Å; Y300-R302 VanDerWaalsContact C-N 3.34Å; Y300-S316 WeakPolarHBondContact O-CB 3.28Å; Y300-S316 PolarHBondContact O-OG 3.14Å
301	M	98.4	Very high	92.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	56.5	44.7	-171.9	-63.1	-178.6	150.1	0	0	113.4	Y70 L93 A98 L102 D298 S316 I317 L318	Y70-M301 HydrophobicContact CD1-CE 4.2Å; Y70-M301 HydrophobicContact CD2-CG 4.44Å; Y70-M301 HydrophobicContact CE1-CE 3.58Å; Y70-M301 HydrophobicContact CE2-CE 4.09Å; Y70-M301 HydrophobicContact CE2-CG 3.71Å; L93-M301 HydrophobicContact CD1-CB 4.33Å; L93-M301 HydrophobicContact CD1-CE 4.43Å; L93-M301 HydrophobicContact CD1-CG 3.53Å; L93-M301 HydrophobicContact CD1-SD 3.66Å; A98-M301 HydrophobicContact CB-CE 4.23Å; A98-M301 WeakPolarHBondContact O-CE 3.14Å; L102-M301 HydrophobicContact CG-CE 4.27Å; D298-M301 PolarHBondContact O-N 3.32Å; D298-M301 PolarHBondContact OD1-N 2.85Å; M301-S316 WeakPolarHBondContact O-CA 3.4Å; M301-I317 HydrophobicContact CB-CD1 4Å; M301-I317 HydrophobicContact CB-CG1 3.83Å; M301-I317 PolarHBondContact O-N 3.45Å; M301-I317 HydrophobicContact SD-CD1 4.13Å; M301-I317 HydrophobicContact SD-CG1 4.43Å; M301-L318 HydrophobicContact SD-CD1 4.25Å; M301-L318 HydrophobicContact SD-CD2 4.34Å; M301-L318 HydrophobicContact SD-CG 4.28Å
302	R	98.5	Very high	93.7	Very high	71 Å²	71	37.9 Å²	37.9	27%	0.268	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.1	169	-56.3	174.8	-59.6	176.5	2	108.9	L297 D298 Y300 P313 S314	L297-R302 WeakPolarHBondContact CA-O 3.43Å; D298-R302 PolarHBondContact N-O 3.34Å; D298-R302 WeakPolarHBondContact OD1-CB 3.4Å; D298-R302 PolarHBondContact OD1-N 3.07Å; D298-R302 IonicContact OD1-NE 2.67Å; D298-R302 IonicContact OD2-CZ 2.84Å; D298-R302 IonicContact OD2-NE 3.13Å; D298-R302 PolarHBondContact OD2-NE 3.41Å; D298-R302 IonicContact OD2-NH2 2.65Å; D298-R302 PolarHBondContact OD2-NH2 2.89Å; Y300-R302 VanDerWaalsContact C-N 3.34Å; R302-P313 HydrophobicContact CB-CB 4.12Å; R302-S314 WeakPolarHBondContact CB-O 3.41Å; R302-S314 VanDerWaalsContact CD-O 3.23Å; R302-S314 WeakPolarHBondContact CD-O 3.46Å; R302-S314 WeakPolarHBondContact CG-O 3.36Å
303	F	97.9	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	138.1	169.9	-70.2	-71.1	0	0	0	110	L105 L295 I296 L297 P313 S314 I317 V322 A325 I326	L105-F303 HydrophobicContact CD2-CZ 4.04Å; L295-F303 HydrophobicContact CB-CD1 4.49Å; L295-F303 HydrophobicContact CB-CE1 4.22Å; L295-F303 HydrophobicContact CD2-CD1 4.05Å; L295-F303 HydrophobicContact CD2-CE1 4Å; I296-F303 CarbonylContact O-C 3.14Å; I296-F303 VanDerWaalsContact O-CA 3.29Å; I296-F303 WeakPolarHBondContact O-CA 3.45Å; L297-F303 HydrophobicContact CD1-CE1 4.47Å; L297-F303 HydrophobicContact CD2-CD1 3.59Å; L297-F303 HydrophobicContact CD2-CD2 4.08Å; L297-F303 HydrophobicContact CD2-CE1 3.66Å; L297-F303 HydrophobicContact CD2-CE2 4.15Å; L297-F303 HydrophobicContact CD2-CG 3.81Å; L297-F303 HydrophobicContact CD2-CZ 3.96Å; L297-F303 HydrophobicContact CG-CD1 4.01Å; L297-F303 HydrophobicContact CG-CE1 3.84Å; L297-F303 HydrophobicContact CG-CZ 4.41Å; F303-P313 WeakPolarHBondContact O-CA 3.45Å; F303-S314 WeakPolarHBondContact CA-OG 3.27Å; F303-S314 WeakPolarHBondContact CB-OG 3.36Å; F303-S314 PolarHBondContact N-OG 2.96Å; F303-S314 PolarHBondContact O-N 3.29Å; F303-S314 PolarHBondContact O-OG 3.06Å; F303-I317 HydrophobicContact CD2-CG2 4.2Å; F303-I317 HydrophobicContact CE2-CG2 3.73Å; F303-I317 HydrophobicContact CZ-CG2 4.45Å; F303-V322 HydrophobicContact CE2-CG1 4.36Å; F303-V322 HydrophobicContact CZ-CG1 4.41Å; F303-A325 HydrophobicContact CD2-CB 3.85Å; F303-A325 HydrophobicContact CE2-CB 4.2Å; F303-I326 HydrophobicContact CD2-CB 4.04Å; F303-I326 HydrophobicContact CD2-CG1 4.36Å; F303-I326 HydrophobicContact CE1-CG1 4.47Å; F303-I326 HydrophobicContact CE2-CB 3.64Å; F303-I326 HydrophobicContact CE2-CD1 4.42Å; F303-I326 HydrophobicContact CE2-CG1 3.98Å; F303-I326 HydrophobicContact CZ-CB 4.16Å; F303-I326 HydrophobicContact CZ-CD1 4.07Å; F303-I326 HydrophobicContact CZ-CG1 4.04Å
304	L	96.1	Very high	94.9	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.2	177.5	-56.5	-177.4	0	0	0	110.2	I296 D298 K311 P313	I296-L304 HydrophobicContact CB-CB 4.35Å; I296-L304 HydrophobicContact CG2-CD1 3.86Å; I296-L304 HydrophobicContact CG2-CG 4.35Å; I296-L304 PolarHBondContact O-N 3.45Å; D298-L304 HydrophobicContact CB-CD1 3.99Å; D298-L304 HydrophobicContact CB-CD2 3.89Å; D298-L304 HydrophobicContact CB-CG 4.07Å; L304-K311 HydrophobicContact CB-CB 4.4Å; L304-K311 HydrophobicContact CB-CG 4.46Å; L304-K311 HydrophobicContact CD1-CB 4.18Å; L304-K311 HydrophobicContact CD1-CD 3.9Å; L304-K311 HydrophobicContact CD1-CG 4.19Å; L304-P313 HydrophobicContact CD2-CB 3.84Å
305	D	94.3	Very high	95.2	Very high	18 Å²	18	44.2 Å²	44.2	10%	0.096	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.2	170.5	-171.3	-7.2	0	0	0	110.3	R307 K311 D312 S329	D305-R307 WeakPolarHBondContact OD1-CB 3.41Å; D305-R307 VanDerWaalsContact OD1-CG 3.23Å; D305-R307 WeakPolarHBondContact OD1-CG 3.48Å; D305-R307 PolarHBondContact OD1-N 2.8Å; D305-R307 IonicContact OD1-NE 3.19Å; D305-R307 PolarHBondContact OD1-NE 3.41Å; D305-R307 VanDerWaalsContact OD1-NE 3.07Å; D305-R307 IonicContact OD2-CZ 3.52Å; D305-R307 IonicContact OD2-NE 2.75Å; D305-R307 PolarHBondContact OD2-NE 2.96Å; D305-R307 IonicContact OD2-NH2 3.76Å; D305-R307 PolarHBondContact OD2-NH2 3.03Å; D305-K311 WeakPolarHBondContact O-CA 3.41Å; D305-D312 HydrophobicContact CB-CB 4.43Å; D305-D312 PolarHBondContact N-O 3.1Å; D305-D312 PolarHBondContact O-N 3.2Å; D305-S329 WeakPolarHBondContact CA-O 3.47Å
306	C	91.9	Very high	95.4	Very high	8 Å²	8	44.6 Å²	44.6	5%	0.054	21%	0.206	C	C	.	.			trans	-117	7.2	-177.1	-64.7	0	0	0	0	114	R291 N292 E308 G309 R310	R291-C306 WeakPolarHBondContact O-CB 3.48Å; N292-C306 PolarHBondContact OD1-O 3.03Å; C306-E308 VanDerWaalsContact C-N 3.32Å; C306-E308 PolarHBondContact O-N 3.17Å; C306-G309 PolarHBondContact O-N 3.49Å; C306-G309 VanDerWaalsContact O-N 3.07Å; C306-R310 VanDerWaalsContact CA-O 3.26Å; C306-R310 WeakPolarHBondContact CA-O 3.45Å
307	R	88.9	Confident	95.4	Very high	136 Å²	136	43.6 Å²	43.6	51%	0.513	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-40.2	-173.4	-73.5	177.1	-65	172	1.4	113.2	N292 D305 G309	N292-R307 VanDerWaalsContact OD1-CA 3.28Å; N292-R307 WeakPolarHBondContact OD1-CA 3.4Å; N292-R307 WeakPolarHBondContact OD1-CG 3.26Å; N292-R307 PolarHBondContact OD1-N 3.39Å; N292-R307 VanDerWaalsContact OD1-N 3.09Å; D305-R307 WeakPolarHBondContact OD1-CB 3.41Å; D305-R307 VanDerWaalsContact OD1-CG 3.23Å; D305-R307 WeakPolarHBondContact OD1-CG 3.48Å; D305-R307 PolarHBondContact OD1-N 2.8Å; D305-R307 IonicContact OD1-NE 3.19Å; D305-R307 PolarHBondContact OD1-NE 3.41Å; D305-R307 VanDerWaalsContact OD1-NE 3.07Å; D305-R307 IonicContact OD2-CZ 3.52Å; D305-R307 IonicContact OD2-NE 2.75Å; D305-R307 PolarHBondContact OD2-NE 2.96Å; D305-R307 IonicContact OD2-NH2 3.76Å; D305-R307 PolarHBondContact OD2-NH2 3.03Å; R307-G309 VanDerWaalsContact C-N 3.25Å; R307-G309 PolarHBondContact O-N 2.87Å
308	E	88.1	Confident	95.5	Very high	152 Å²	152	45 Å²	45	71%	0.71	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	14.8	-179.8	-57.2	-55.1	135.8	0	0	112.9	C306 R310	C306-E308 VanDerWaalsContact C-N 3.32Å; C306-E308 PolarHBondContact O-N 3.17Å; E308-R310 PolarHBondContact O-N 3.06Å
309	G	88	Confident	95.4	Very high	19 Å²	19	51.3 Å²	51.3	20%	0.196	24%	0.243	C	C	.	.	S	Bend	trans	74.5	8.8	179.1	0	0	0	0	0	114.9	I246 D247 C306 R307	I246-G309 CarbonylContact C-O 3.54Å; I246-G309 WeakPolarHBondContact CA-O 3.47Å; D247-G309 PolarHBondContact N-O 3.21Å; C306-G309 PolarHBondContact O-N 3.49Å; C306-G309 VanDerWaalsContact O-N 3.07Å; R307-G309 VanDerWaalsContact C-N 3.25Å; R307-G309 PolarHBondContact O-N 2.87Å
310	R	91.3	Very high	95.4	Very high	112 Å²	112	53.4 Å²	53.4	42%	0.423	26%	0.255	S	S	.	.	S	Bend	trans	-108.2	-173.5	171.2	-78.9	-165.2	-68.6	-118.8	1.9	111.2	D247 C306 E308 D312	D247-R310 HydrophobicContact CB-CG 3.59Å; D247-R310 WeakPolarHBondContact OD2-CD 3.28Å; D247-R310 VanDerWaalsContact OD2-CG 3.25Å; D247-R310 WeakPolarHBondContact OD2-CG 3.17Å; D247-R310 IonicContact OD2-NH1 2.76Å; C306-R310 VanDerWaalsContact CA-O 3.26Å; C306-R310 WeakPolarHBondContact CA-O 3.45Å; E308-R310 PolarHBondContact O-N 3.06Å; R310-D312 IonicContact NE-OD1 3.32Å; R310-D312 IonicContact NE-OD2 3.69Å
311	K	93.1	Very high	95.4	Very high	23 Å²	23	50.9 Å²	50.9	10%	0.1	25%	0.253	C	S	.	.			trans	-119.2	87	166	-80.9	177.2	-179.4	178.8	0	109.2	F84 I246 E249 L304 D305 P313	F84-K311 PolarHBondContact O-NZ 2.78Å; I246-K311 HydrophobicContact CG2-CD 4.28Å; I246-K311 HydrophobicContact CG2-CG 4.01Å; E249-K311 HydrophobicContact CG-CD 4.1Å; L304-K311 HydrophobicContact CB-CB 4.4Å; L304-K311 HydrophobicContact CB-CG 4.46Å; L304-K311 HydrophobicContact CD1-CB 4.18Å; L304-K311 HydrophobicContact CD1-CD 3.9Å; L304-K311 HydrophobicContact CD1-CG 4.19Å; D305-K311 WeakPolarHBondContact O-CA 3.41Å; K311-P313 WeakPolarHBondContact O-CD 3.32Å
312	D	94.9	Very high	95.4	Very high	60 Å²	60	51.4 Å²	51.4	32%	0.321	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	114.9	-176.6	-65.8	-42.4	0	0	0	109.7	D305 R310	D305-D312 HydrophobicContact CB-CB 4.43Å; D305-D312 PolarHBondContact N-O 3.1Å; D305-D312 PolarHBondContact O-N 3.2Å; R310-D312 IonicContact NE-OD1 3.32Å; R310-D312 IonicContact NE-OD2 3.69Å
313	P	97	Very high	95.2	Very high	64 Å²	64	54.9 Å²	54.9	42%	0.416	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137.1	-174.9	31.6	-33.9	0	0	0	112.2	R302 F303 L304 K311	R302-P313 HydrophobicContact CB-CB 4.12Å; F303-P313 WeakPolarHBondContact O-CA 3.45Å; L304-P313 HydrophobicContact CD2-CB 3.84Å; K311-P313 WeakPolarHBondContact O-CD 3.32Å
314	S	97.6	Very high	95.1	Very high	14 Å²	14	59.3 Å²	59.3	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-176.1	162.7	60.3	0	0	0	0	112.1	R302 F303	R302-S314 WeakPolarHBondContact CB-O 3.41Å; R302-S314 VanDerWaalsContact CD-O 3.23Å; R302-S314 WeakPolarHBondContact CD-O 3.46Å; R302-S314 WeakPolarHBondContact CG-O 3.36Å; F303-S314 WeakPolarHBondContact CA-OG 3.27Å; F303-S314 WeakPolarHBondContact CB-OG 3.36Å; F303-S314 PolarHBondContact N-OG 2.96Å; F303-S314 PolarHBondContact O-N 3.29Å; F303-S314 PolarHBondContact O-OG 3.06Å
315	K	97.8	Very high	95.2	Very high	146 Å²	146	59.2 Å²	59.2	64%	0.635	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	157.8	165.2	-69	-178.1	177.8	-179.6	0	110.6	V320	K315-V320 HydrophobicContact CB-CG1 3.97Å; K315-V320 HydrophobicContact CB-CG2 3.8Å; K315-V320 HydrophobicContact CD-CG1 3.64Å; K315-V320 HydrophobicContact CG-CG1 4.47Å
316	S	98.6	Very high	95.2	Very high	10 Å²	10	58.6 Å²	58.6	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	141.1	-179.9	-175.1	0	0	0	0	110.8	Y300 M301 L318 D319 V320	Y300-S316 WeakPolarHBondContact O-CB 3.28Å; Y300-S316 PolarHBondContact O-OG 3.14Å; M301-S316 WeakPolarHBondContact O-CA 3.4Å; S316-L318 PolarHBondContact O-N 2.79Å; S316-L318 VanDerWaalsContact O-N 3.15Å; S316-L318 PolarHBondContact OG-N 3.08Å; S316-D319 WeakPolarHBondContact CB-OD2 3.43Å; S316-D319 PolarHBondContact O-N 2.93Å; S316-V320 WeakPolarHBondContact O-CG2 3.36Å; S316-V320 PolarHBondContact O-N 3.14Å; S316-V320 VanDerWaalsContact O-N 3.09Å
317	I	98.6	Very high	95.3	Very high	1 Å²	1	62 Å²	62	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-21.5	170.7	69.9	-178.7	0	0	0	112	L105 L297 M301 F303 D319 G321 V322 A325	L105-I317 HydrophobicContact CD1-CD1 4.18Å; L105-I317 HydrophobicContact CD2-CD1 4.12Å; L105-I317 HydrophobicContact CG-CD1 3.91Å; L297-I317 HydrophobicContact CD1-CD1 4.25Å; L297-I317 HydrophobicContact CD2-CG2 4.25Å; M301-I317 HydrophobicContact CB-CD1 4Å; M301-I317 HydrophobicContact CB-CG1 3.83Å; M301-I317 PolarHBondContact O-N 3.45Å; M301-I317 HydrophobicContact SD-CD1 4.13Å; M301-I317 HydrophobicContact SD-CG1 4.43Å; F303-I317 HydrophobicContact CD2-CG2 4.2Å; F303-I317 HydrophobicContact CE2-CG2 3.73Å; F303-I317 HydrophobicContact CZ-CG2 4.45Å; I317-D319 VanDerWaalsContact C-N 3.27Å; I317-G321 WeakPolarHBondContact O-CA 3.43Å; I317-G321 PolarHBondContact O-N 2.96Å; I317-V322 HydrophobicContact CB-CG2 4.11Å; I317-V322 HydrophobicContact CD1-CG2 4.39Å; I317-V322 HydrophobicContact CG2-CG2 4.21Å; I317-A325 HydrophobicContact CG2-CB 3.84Å
318	L	98.4	Very high	95.5	Very high	30 Å²	30	62 Å²	62	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-73.6	-22.2	176.8	-61.7	176.1	0	0	0	112.5	L93 E97 K100 L104 M301 S316	L93-L318 HydrophobicContact CD1-CD1 3.92Å; L93-L318 HydrophobicContact CD2-CD1 4.08Å; E97-L318 HydrophobicContact CB-CD1 4.29Å; K100-L318 HydrophobicContact CB-CD2 4.38Å; K100-L318 HydrophobicContact CD-CD2 4.19Å; K100-L318 HydrophobicContact CG-CD2 4.16Å; L104-L318 HydrophobicContact CD1-CD2 4.37Å; M301-L318 HydrophobicContact SD-CD1 4.25Å; M301-L318 HydrophobicContact SD-CD2 4.34Å; M301-L318 HydrophobicContact SD-CG 4.28Å; S316-L318 PolarHBondContact O-N 2.79Å; S316-L318 VanDerWaalsContact O-N 3.15Å; S316-L318 PolarHBondContact OG-N 3.08Å
319	D	98.1	Very high	95.6	Very high	132 Å²	132	55.1 Å²	55.1	71%	0.706	29%	0.29	S	S	*	.	H	α-helix	trans	-98.5	-45.4	-177.6	-59.1	-36.2	0	0	0	112	S316 I317	S316-D319 WeakPolarHBondContact CB-OD2 3.43Å; S316-D319 PolarHBondContact O-N 2.93Å; I317-D319 VanDerWaalsContact C-N 3.27Å
320	V	98	Very high	95.6	Very high	45 Å²	45	54.8 Å²	54.8	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-114.3	-2.2	-173.3	-58.1	0	0	0	0	113.8	K315 S316 D324 A325	K315-V320 HydrophobicContact CB-CG1 3.97Å; K315-V320 HydrophobicContact CB-CG2 3.8Å; K315-V320 HydrophobicContact CD-CG1 3.64Å; K315-V320 HydrophobicContact CG-CG1 4.47Å; S316-V320 WeakPolarHBondContact O-CG2 3.36Å; S316-V320 PolarHBondContact O-N 3.14Å; S316-V320 VanDerWaalsContact O-N 3.09Å; V320-D324 HydrophobicContact CB-CB 4.11Å; V320-D324 HydrophobicContact CG2-CB 4.07Å; V320-A325 HydrophobicContact CG2-CB 3.97Å
321	G	97.9	Very high	95.6	Very high	24 Å²	24	50.9 Å²	50.9	25%	0.247	27%	0.273	C	S	.	.	H	α-helix	trans	77.2	167.7	-174	0	0	0	0	0	113.4	I317 A325	I317-G321 WeakPolarHBondContact O-CA 3.43Å; I317-G321 PolarHBondContact O-N 2.96Å; G321-A325 WeakPolarHBondContact O-CB 3.48Å; G321-A325 PolarHBondContact O-N 3.06Å
322	V	97.6	Very high	95.3	Very high	11 Å²	11	52.7 Å²	52.7	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-69.5	-43.1	-173.8	177.7	0	0	0	0	111.9	P65 L104 L105 A108 F303 I317 D324 A325 I326	P65-V322 HydrophobicContact CG-CG1 4.14Å; L104-V322 HydrophobicContact CB-CG2 3.88Å; L105-V322 HydrophobicContact CD2-CG1 4.13Å; L105-V322 HydrophobicContact CD2-CG2 3.92Å; L105-V322 HydrophobicContact CG-CG2 4.41Å; A108-V322 HydrophobicContact CB-CB 3.93Å; A108-V322 HydrophobicContact CB-CG1 3.66Å; A108-V322 HydrophobicContact CB-CG2 4.28Å; F303-V322 HydrophobicContact CE2-CG1 4.36Å; F303-V322 HydrophobicContact CZ-CG1 4.41Å; I317-V322 HydrophobicContact CB-CG2 4.11Å; I317-V322 HydrophobicContact CD1-CG2 4.39Å; I317-V322 HydrophobicContact CG2-CG2 4.21Å; V322-D324 VanDerWaalsContact C-N 3.32Å; V322-D324 PolarHBondContact O-N 2.99Å; V322-A325 PolarHBondContact O-N 3.32Å; V322-I326 VanDerWaalsContact O-CB 3.28Å; V322-I326 WeakPolarHBondContact O-CB 3.12Å; V322-I326 VanDerWaalsContact O-CG2 3.24Å; V322-I326 WeakPolarHBondContact O-CG2 3.36Å; V322-I326 PolarHBondContact O-N 2.96Å
323	K	95.4	Very high	95.1	Very high	144 Å²	144	53.7 Å²	53.7	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-58.4	-43.3	-176.7	-175.5	178.4	178.6	179.2	0	112.1	V62	V62-K323 HydrophobicContact CG1-CG 4.18Å
324	D	95.5	Very high	94.6	Very high	93 Å²	93	58.9 Å²	58.9	50%	0.497	30%	0.302	S	S	.	.	H	α-helix	trans	-75.9	-44.7	-178.4	-68.4	-2.7	0	0	0	110.7	V320 V322 I326 S327 F328	V320-D324 HydrophobicContact CB-CB 4.11Å; V320-D324 HydrophobicContact CG2-CB 4.07Å; V322-D324 VanDerWaalsContact C-N 3.32Å; V322-D324 PolarHBondContact O-N 2.99Å; D324-I326 PolarHBondContact O-N 3.21Å; D324-S327 PolarHBondContact O-OG 2.95Å; D324-F328 VanDerWaalsContact O-CD2 3.26Å; D324-F328 WeakPolarHBondContact O-CD2 3.45Å; D324-F328 WeakPolarHBondContact O-CE2 3.22Å
325	A	97.3	Very high	94.2	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-40.9	-179.5	0	0	0	0	0	113.1	F303 I317 V320 G321 V322 S327 F328	F303-A325 HydrophobicContact CD2-CB 3.85Å; F303-A325 HydrophobicContact CE2-CB 4.2Å; I317-A325 HydrophobicContact CG2-CB 3.84Å; V320-A325 HydrophobicContact CG2-CB 3.97Å; G321-A325 WeakPolarHBondContact O-CB 3.48Å; G321-A325 PolarHBondContact O-N 3.06Å; V322-A325 PolarHBondContact O-N 3.32Å; A325-S327 PolarHBondContact O-N 2.7Å; A325-F328 PolarHBondContact O-N 3.39Å; A325-F328 VanDerWaalsContact O-N 3.15Å
326	I	95.6	Very high	93.8	Very high	5 Å²	5	53 Å²	53	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-25.2	-174.7	-159.8	167.1	0	0	0	112.9	T63 P65 L295 F303 V322 D324 F328 S329	T63-I326 HydrophobicContact CG2-CD1 3.79Å; T63-I326 HydrophobicContact CG2-CG1 4.19Å; P65-I326 HydrophobicContact CB-CD1 3.81Å; P65-I326 HydrophobicContact CG-CD1 4.33Å; L295-I326 HydrophobicContact CD1-CD1 4.02Å; L295-I326 HydrophobicContact CD2-CD1 3.97Å; L295-I326 HydrophobicContact CD2-CG1 3.92Å; F303-I326 HydrophobicContact CD2-CB 4.04Å; F303-I326 HydrophobicContact CD2-CG1 4.36Å; F303-I326 HydrophobicContact CE1-CG1 4.47Å; F303-I326 HydrophobicContact CE2-CB 3.64Å; F303-I326 HydrophobicContact CE2-CD1 4.42Å; F303-I326 HydrophobicContact CE2-CG1 3.98Å; F303-I326 HydrophobicContact CZ-CB 4.16Å; F303-I326 HydrophobicContact CZ-CD1 4.07Å; F303-I326 HydrophobicContact CZ-CG1 4.04Å; V322-I326 VanDerWaalsContact O-CB 3.28Å; V322-I326 WeakPolarHBondContact O-CB 3.12Å; V322-I326 VanDerWaalsContact O-CG2 3.24Å; V322-I326 WeakPolarHBondContact O-CG2 3.36Å; V322-I326 PolarHBondContact O-N 2.96Å; D324-I326 PolarHBondContact O-N 3.21Å; I326-F328 PolarHBondContact O-N 3.4Å; I326-F328 VanDerWaalsContact O-N 3.11Å; I326-S329 VanDerWaalsContact O-CB 3.24Å; I326-S329 WeakPolarHBondContact O-CB 3.35Å; I326-S329 PolarHBondContact O-N 2.93Å; I326-S329 PolarHBondContact O-OG 3.49Å
327	S	93.4	Very high	93.3	Very high	81 Å²	81	56.9 Å²	56.9	57%	0.566	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.8	175.2	73	0	0	0	0	113.3	D324 A325	D324-S327 PolarHBondContact O-OG 2.95Å; A325-S327 PolarHBondContact O-N 2.7Å
328	F	92.4	Very high	92.8	Very high	134 Å²	134	63.8 Å²	63.8	59%	0.588	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	8.5	176.5	-59.3	-84.3	0	0	0	113.3	D324 A325 I326 G330	D324-F328 VanDerWaalsContact O-CD2 3.26Å; D324-F328 WeakPolarHBondContact O-CD2 3.45Å; D324-F328 WeakPolarHBondContact O-CE2 3.22Å; A325-F328 PolarHBondContact O-N 3.39Å; A325-F328 VanDerWaalsContact O-N 3.15Å; I326-F328 PolarHBondContact O-N 3.4Å; I326-F328 VanDerWaalsContact O-N 3.11Å; F328-G330 VanDerWaalsContact C-N 3.34Å; F328-G330 PolarHBondContact O-N 3.36Å
329	S	90.3	Very high	92.3	Very high	8 Å²	8	63.2 Å²	63.2	6%	0.056	32%	0.321	C	S	.	.	S	Bend	trans	-76.8	-17.6	-176.4	65.6	0	0	0	0	114.4	D305 I326 F331	D305-S329 WeakPolarHBondContact CA-O 3.47Å; I326-S329 VanDerWaalsContact O-CB 3.24Å; I326-S329 WeakPolarHBondContact O-CB 3.35Å; I326-S329 PolarHBondContact O-N 2.93Å; I326-S329 PolarHBondContact O-OG 3.49Å; S329-F331 PolarHBondContact O-N 2.85Å; S329-F331 WeakPolarHBondContact OG-CB 3.38Å; S329-F331 PolarHBondContact OG-N 3.34Å
330	G	88.9	Confident	91.7	Very high	13 Å²	13	58 Å²	58	13%	0.134	30%	0.299	C	S	.	.			trans	65.4	15.1	-173.5	0	0	0	0	0	114.7	F328 D332	F328-G330 VanDerWaalsContact C-N 3.34Å; F328-G330 PolarHBondContact O-N 3.36Å; G330-D332 PolarHBondContact O-N 3.4Å
331	F	90.8	Very high	91.1	Very high	30 Å²	30	56.1 Å²	56.1	13%	0.132	29%	0.288	C	S	.	.			trans	-65.2	128	-173.2	-179.1	-115.3	0	0	0	113.7	T63 L295 S329 E333 F336	T63-F331 HydrophobicContact CG2-CD1 3.52Å; T63-F331 HydrophobicContact CG2-CE1 4.15Å; T63-F331 HydrophobicContact CG2-CG 4.44Å; L295-F331 HydrophobicContact CD1-CD1 4.34Å; L295-F331 HydrophobicContact CD1-CE1 4.33Å; L295-F331 HydrophobicContact CD1-CG 4.41Å; L295-F331 HydrophobicContact CD1-CZ 4.42Å; L295-F331 HydrophobicContact CD2-CB 3.6Å; L295-F331 HydrophobicContact CD2-CD1 4.28Å; L295-F331 HydrophobicContact CD2-CD2 4.01Å; L295-F331 HydrophobicContact CD2-CG 3.71Å; L295-F331 HydrophobicContact CG-CB 4.21Å; L295-F331 HydrophobicContact CG-CD1 4.17Å; L295-F331 HydrophobicContact CG-CD2 3.65Å; L295-F331 HydrophobicContact CG-CE1 4.42Å; L295-F331 HydrophobicContact CG-CE2 3.95Å; L295-F331 HydrophobicContact CG-CG 3.75Å; L295-F331 HydrophobicContact CG-CZ 4.31Å; S329-F331 PolarHBondContact O-N 2.85Å; S329-F331 WeakPolarHBondContact OG-CB 3.38Å; S329-F331 PolarHBondContact OG-N 3.34Å; F331-E333 HydrophobicContact CD1-CB 4.18Å; F331-E333 HydrophobicContact CE1-CB 3.71Å; F331-E333 HydrophobicContact CE1-CG 4.14Å; F331-E333 HydrophobicContact CZ-CB 4.48Å; F331-F336 HydrophobicContact CE2-CB 3.88Å; F331-F336 HydrophobicContact CE2-CD2 4.37Å; F331-F336 HydrophobicContact CE2-CG 4.24Å; F331-F336 HydrophobicContact CZ-CB 3.6Å; F331-F336 HydrophobicContact CZ-CD1 4.24Å; F331-F336 HydrophobicContact CZ-CD2 4.2Å; F331-F336 AromaticContact CZ-CG 3.76Å; F331-F336 HydrophobicContact CZ-CG 3.76Å
332	D	88.2	Confident	90.7	Very high	61 Å²	61	60.8 Å²	60.8	33%	0.326	30%	0.301	S	S	.	.			trans	-100.7	94.2	172.9	-174.5	-16.7	0	0	0	110.2	N292 G330 K334 M335 F336	N292-D332 HydrophobicContact CB-CB 4.15Å; N292-D332 PolarHBondContact O-N 3.46Å; G330-D332 PolarHBondContact O-N 3.4Å; D332-K334 VanDerWaalsContact C-N 3.29Å; D332-K334 PolarHBondContact O-N 3.39Å; D332-K334 WeakPolarHBondContact OD1-CB 3.45Å; D332-K334 PolarHBondContact OD1-N 3.43Å; D332-M335 HydrophobicContact CB-CB 3.96Å; D332-M335 VanDerWaalsContact CG-CB 3.45Å; D332-M335 PolarHBondContact O-N 3.38Å; D332-M335 PolarHBondContact OD1-N 3.16Å; D332-M335 WeakPolarHBondContact OD2-CB 3.33Å; D332-F336 PolarHBondContact O-N 2.92Å
333	E	88.9	Confident	90.4	Very high	80 Å²	80	63 Å²	63	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-34.8	178.8	-173.9	172.2	-175.2	0	0	112.6	F331 F336 L337	F331-E333 HydrophobicContact CD1-CB 4.18Å; F331-E333 HydrophobicContact CE1-CB 3.71Å; F331-E333 HydrophobicContact CE1-CG 4.14Å; F331-E333 HydrophobicContact CZ-CB 4.48Å; E333-F336 WeakPolarHBondContact O-CB 3.29Å; E333-F336 PolarHBondContact O-N 3.07Å; E333-L337 WeakPolarHBondContact O-CG 3.32Å; E333-L337 PolarHBondContact O-N 3.5Å
334	K	88.3	Confident	90.3	Very high	174 Å²	174	60.1 Å²	60.1	76%	0.757	30%	0.303	S	S	*	.	H	α-helix	trans	-65.1	-43.7	177.9	-67.2	-179.7	-179.3	175.1	0	110.3	D332 L337 K338	D332-K334 VanDerWaalsContact C-N 3.29Å; D332-K334 PolarHBondContact O-N 3.39Å; D332-K334 WeakPolarHBondContact OD1-CB 3.45Å; D332-K334 PolarHBondContact OD1-N 3.43Å; K334-L337 PolarHBondContact O-N 3.27Å; K334-K338 WeakPolarHBondContact O-CB 3.3Å; K334-K338 PolarHBondContact O-N 2.85Å
335	M	88.4	Confident	90.3	Very high	24 Å²	24	56.6 Å²	56.6	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-38	175.4	-169.3	62.3	76.2	0	0	111.8	K289 D332 L337 K338 R339	K289-M335 HydrophobicContact CB-SD 4.44Å; K289-M335 HydrophobicContact CG-SD 4.2Å; D332-M335 HydrophobicContact CB-CB 3.96Å; D332-M335 VanDerWaalsContact CG-CB 3.45Å; D332-M335 PolarHBondContact O-N 3.38Å; D332-M335 PolarHBondContact OD1-N 3.16Å; D332-M335 WeakPolarHBondContact OD2-CB 3.33Å; M335-L337 VanDerWaalsContact C-N 3.32Å; M335-L337 PolarHBondContact O-N 2.82Å; M335-K338 PolarHBondContact O-N 2.87Å; M335-K338 HydrophobicContact SD-CB 4.37Å; M335-K338 HydrophobicContact SD-CD 3.96Å; M335-R339 WeakPolarHBondContact O-CG 3.41Å; M335-R339 PolarHBondContact O-N 2.81Å
336	F	89.1	Confident	90.2	Very high	11 Å²	11	57 Å²	57	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-55.4	-45	172.7	168.5	-100.4	0	0	0	112.1	F331 D332 E333 R339 G341 K342	F331-F336 HydrophobicContact CE2-CB 3.88Å; F331-F336 HydrophobicContact CE2-CD2 4.37Å; F331-F336 HydrophobicContact CE2-CG 4.24Å; F331-F336 HydrophobicContact CZ-CB 3.6Å; F331-F336 HydrophobicContact CZ-CD1 4.24Å; F331-F336 HydrophobicContact CZ-CD2 4.2Å; F331-F336 AromaticContact CZ-CG 3.76Å; F331-F336 HydrophobicContact CZ-CG 3.76Å; D332-F336 PolarHBondContact O-N 2.92Å; E333-F336 WeakPolarHBondContact O-CB 3.29Å; E333-F336 PolarHBondContact O-N 3.07Å; F336-R339 WeakPolarHBondContact O-CG 3.36Å; F336-G341 WeakPolarHBondContact CZ-O 3.42Å; F336-G341 VanDerWaalsContact O-CA 3.27Å; F336-G341 WeakPolarHBondContact O-CA 3.49Å; F336-G341 PolarHBondContact O-N 3.36Å; F336-K342 HydrophobicContact CE1-CB 4.42Å
337	L	88.9	Confident	90.1	Very high	93 Å²	93	58 Å²	58	49%	0.487	29%	0.29	S	S	.	.	H	α-helix	trans	-68.8	-45.9	175.4	-65	174.7	0	0	0	111.6	E333 K334 M335 R339 G340 K342	E333-L337 WeakPolarHBondContact O-CG 3.32Å; E333-L337 PolarHBondContact O-N 3.5Å; K334-L337 PolarHBondContact O-N 3.27Å; M335-L337 VanDerWaalsContact C-N 3.32Å; M335-L337 PolarHBondContact O-N 2.82Å; L337-R339 VanDerWaalsContact C-N 3.27Å; L337-R339 PolarHBondContact O-N 3.1Å; L337-G340 PolarHBondContact O-N 3.29Å; L337-K342 HydrophobicContact CD2-CB 4.19Å
338	K	87.2	Confident	90.1	Very high	145 Å²	145	58.2 Å²	58.2	63%	0.63	30%	0.297	S	S	*	.	H	α-helix	trans	-57.2	-36	-179.8	-173.4	-178.9	177.2	-171.3	0	112.9	K334 M335 G340	K334-K338 WeakPolarHBondContact O-CB 3.3Å; K334-K338 PolarHBondContact O-N 2.85Å; M335-K338 PolarHBondContact O-N 2.87Å; M335-K338 HydrophobicContact SD-CB 4.37Å; M335-K338 HydrophobicContact SD-CD 3.96Å; K338-G340 VanDerWaalsContact C-N 3.25Å; K338-G340 PolarHBondContact O-N 2.56Å
339	R	87.5	Confident	90.2	Very high	18 Å²	18	57.4 Å²	57.4	7%	0.068	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	8.6	177.4	74.9	175.7	179.8	90.1	-1.4	114.5	E285 S293 Y294 M335 F336 L337	E285-R339 IonicContact OE1-CZ 3.15Å; E285-R339 IonicContact OE1-NH1 3.01Å; E285-R339 PolarHBondContact OE1-NH1 2.93Å; E285-R339 IonicContact OE2-NH1 3.17Å; S293-R339 VanDerWaalsContact CB-NE 3.33Å; S293-R339 PolarHBondContact O-NE 2.95Å; S293-R339 PolarHBondContact O-NH2 3.33Å; S293-R339 WeakPolarHBondContact OG-CD 3.4Å; S293-R339 PolarHBondContact OG-NE 3.46Å; Y294-R339 VanDerWaalsContact CD1-NH2 3.31Å; Y294-R339 VanDerWaalsContact CE2-CZ 3.49Å; Y294-R339 PolarHBondContact OH-NH1 3.03Å; M335-R339 WeakPolarHBondContact O-CG 3.41Å; M335-R339 PolarHBondContact O-N 2.81Å; F336-R339 WeakPolarHBondContact O-CG 3.36Å; L337-R339 VanDerWaalsContact C-N 3.27Å; L337-R339 PolarHBondContact O-N 3.1Å
340	G	86.7	Confident	90.3	Very high	24 Å²	24	58.4 Å²	58.4	25%	0.247	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	40.8	-176.9	0	0	0	0	0	112.6	R237 L337 K338 K342	R237-G340 PolarHBondContact NH2-O 2.94Å; L337-G340 PolarHBondContact O-N 3.29Å; K338-G340 VanDerWaalsContact C-N 3.25Å; K338-G340 PolarHBondContact O-N 2.56Å; G340-K342 VanDerWaalsContact C-N 3.3Å
341	G	84.1	Confident	90.2	Very high	4 Å²	4	67.5 Å²	67.5	4%	0.041	34%	0.339	C	S	.	.			trans	-68.3	-28.5	176.2	0	0	0	0	0	113.1	F336	F336-G341 WeakPolarHBondContact CZ-O 3.42Å; F336-G341 VanDerWaalsContact O-CA 3.27Å; F336-G341 WeakPolarHBondContact O-CA 3.49Å; F336-G341 PolarHBondContact O-N 3.36Å
342	K	89.4	Confident	89.9	Confident	122 Å²	122	68.3 Å²	68.3	53%	0.53	34%	0.344	S	S	.	.	S	Bend	trans	-97.4	120.4	168.2	-165.4	163.4	-171.5	166.4	0	109.9	F336 L337 G340 W345	F336-K342 HydrophobicContact CE1-CB 4.42Å; L337-K342 HydrophobicContact CD2-CB 4.19Å; G340-K342 VanDerWaalsContact C-N 3.3Å; K342-W345 HydrophobicContact CB-CZ3 4.24Å; K342-W345 HydrophobicContact CD-CH2 4.42Å; K342-W345 HydrophobicContact CG-CH2 3.91Å; K342-W345 HydrophobicContact CG-CZ3 3.99Å
343	Y	92.6	Very high	89.4	Confident	58 Å²	58	72.8 Å²	72.8	23%	0.227	37%	0.368	C	S	.	.	S	Bend	trans	-155	173	-179.1	65.9	-80.6	0	0	0	108.6	I168 W345	I168-Y343 HydrophobicContact CD1-CE2 4.12Å; I168-Y343 VanDerWaalsContact CD1-OH 3.31Å; I168-Y343 WeakPolarHBondContact CD1-OH 3.33Å; Y343-W345 HydrophobicContact CD1-CE3 4.39Å; Y343-W345 HydrophobicContact CD2-CB 4.3Å; Y343-W345 HydrophobicContact CE1-CB 4.39Å; Y343-W345 HydrophobicContact CE1-CE3 4.43Å; Y343-W345 HydrophobicContact CE2-CB 3.87Å; Y343-W345 PolarHBondContact O-N 2.81Å
344	V	94.1	Very high	88	Confident	83 Å²	83	73 Å²	73	50%	0.503	37%	0.365	S	S	.	.			trans	-64.1	103	172.2	-177.7	0	0	0	0	108.9	D349 M350	V344-D349 HydrophobicContact CG1-CB 3.61Å; V344-D349 WeakPolarHBondContact CG1-O 3.38Å; V344-M350 HydrophobicContact CG1-CG 3.82Å; V344-M350 WeakPolarHBondContact O-CE 3.36Å
345	W	95.1	Very high	88	Confident	19 Å²	19	67.9 Å²	67.9	7%	0.072	35%	0.346	C	S	.	.			trans	-116.9	-4.6	-169.3	54.6	34.5	0	0	0	114.7	T66 E111 K112 S144 I168 K342 Y343 M350	T66-W345 HydrophobicContact CG2-CH2 3.86Å; T66-W345 HydrophobicContact CG2-CZ2 4.38Å; E111-W345 HydrophobicContact CB-CZ2 4.16Å; E111-W345 WeakPolarHBondContact OE2-CZ2 3.45Å; K112-W345 HydrophobicContact CB-CD2 4.36Å; K112-W345 HydrophobicContact CB-CE3 4.5Å; K112-W345 HydrophobicContact CD-CB 4.08Å; K112-W345 HydrophobicContact CD-CD2 3.82Å; K112-W345 HydrophobicContact CD-CE3 3.64Å; K112-W345 HydrophobicContact CD-CG 4.04Å; K112-W345 HydrophobicContact CD-CZ3 4.3Å; S144-W345 VanDerWaalsContact CB-O 3.28Å; S144-W345 WeakPolarHBondContact CB-O 3.47Å; S144-W345 PolarHBondContact OG-O 3.34Å; I168-W345 HydrophobicContact CD1-CB 4.41Å; K342-W345 HydrophobicContact CB-CZ3 4.24Å; K342-W345 HydrophobicContact CD-CH2 4.42Å; K342-W345 HydrophobicContact CG-CH2 3.91Å; K342-W345 HydrophobicContact CG-CZ3 3.99Å; Y343-W345 HydrophobicContact CD1-CE3 4.39Å; Y343-W345 HydrophobicContact CD2-CB 4.3Å; Y343-W345 HydrophobicContact CE1-CB 4.39Å; Y343-W345 HydrophobicContact CE1-CE3 4.43Å; Y343-W345 HydrophobicContact CE2-CB 3.87Å; Y343-W345 PolarHBondContact O-N 2.81Å; W345-M350 VanDerWaalsContact C-CE 3.47Å
346	S	95.4	Very high	87.9	Confident	11 Å²	11	70.2 Å²	70.2	8%	0.077	36%	0.358	C	S	.	.	S	Bend	trans	-91.9	129.6	172.3	162.6	0	0	0	0	107.2	P143 A348 D349 M350	P143-S346 WeakPolarHBondContact O-CB 3.36Å; S346-A348 PolarHBondContact O-N 3.1Å; S346-A348 PolarHBondContact OG-N 2.74Å; S346-D349 WeakPolarHBondContact CB-OD2 3.06Å; S346-D349 PolarHBondContact O-N 3.32Å; S346-D349 VanDerWaalsContact O-N 3.12Å; S346-D349 PolarHBondContact OG-OD2 2.75Å; S346-M350 WeakPolarHBondContact O-CG 3.44Å; S346-M350 PolarHBondContact O-N 3.37Å
347	K	92.8	Very high	87.9	Confident	25 Å²	25	73.5 Å²	73.5	11%	0.109	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.4	-178.4	70.2	173	169.3	-170.3	0	112.6	G163 D164 L166 D167 K208 D349 M350 W354	G163-K347 PolarHBondContact O-NZ 2.71Å; G163-K347 VanDerWaalsContact O-NZ 3.08Å; D164-K347 PolarHBondContact O-NZ 3.25Å; L166-K347 WeakPolarHBondContact O-CD 3.47Å; L166-K347 VanDerWaalsContact O-CE 3.31Å; L166-K347 WeakPolarHBondContact O-CE 3.23Å; L166-K347 PolarHBondContact O-NZ 2.88Å; D167-K347 HydrophobicContact CB-CB 4.26Å; D167-K347 HydrophobicContact CB-CG 4.44Å; D167-K347 WeakPolarHBondContact OD1-CG 3.11Å; D167-K347 PolarHBondContact OD1-N 3.01Å; K208-K347 WeakPolarHBondContact O-CD 3.47Å; K208-K347 PolarHBondContact O-NZ 3Å; K347-D349 PolarHBondContact O-N 2.91Å; K347-M350 PolarHBondContact O-N 3.23Å; K347-W354 HydrophobicContact CB-CZ2 4.09Å; K347-W354 HydrophobicContact CD-CZ2 4.11Å; K347-W354 HydrophobicContact CG-CZ2 4.31Å
348	A	93.3	Very high	87.8	Confident	86 Å²	86	72.4 Å²	72.4	71%	0.711	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.1	177.7	0	0	0	0	0	112.9	S346	S346-A348 PolarHBondContact O-N 3.1Å; S346-A348 PolarHBondContact OG-N 2.74Å
349	D	93.9	Very high	87.8	Confident	116 Å²	116	67.8 Å²	67.8	62%	0.62	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-7.3	-178.1	-57.1	-47.3	0	0	0	112.3	V344 S346 K347	V344-D349 HydrophobicContact CG1-CB 3.61Å; V344-D349 WeakPolarHBondContact CG1-O 3.38Å; S346-D349 WeakPolarHBondContact CB-OD2 3.06Å; S346-D349 PolarHBondContact O-N 3.32Å; S346-D349 VanDerWaalsContact O-N 3.12Å; S346-D349 PolarHBondContact OG-OD2 2.75Å; K347-D349 PolarHBondContact O-N 2.91Å
350	M	92.6	Very high	87.9	Confident	29 Å²	29	71.1 Å²	71.1	14%	0.143	37%	0.371	C	S	.	.	S	Bend	trans	-83.7	140.8	178.3	-63.4	173.5	-169.1	0	0	110.4	I168 A210 V236 V344 W345 S346 K347 L352	I168-M350 HydrophobicContact CD1-CE 3.69Å; I168-M350 HydrophobicContact CG1-CE 3.85Å; A210-M350 HydrophobicContact CB-CE 4.41Å; A210-M350 HydrophobicContact CB-SD 3.66Å; V236-M350 HydrophobicContact CG2-SD 4.46Å; V344-M350 HydrophobicContact CG1-CG 3.82Å; V344-M350 WeakPolarHBondContact O-CE 3.36Å; W345-M350 VanDerWaalsContact C-CE 3.47Å; S346-M350 WeakPolarHBondContact O-CG 3.44Å; S346-M350 PolarHBondContact O-N 3.37Å; K347-M350 PolarHBondContact O-N 3.23Å; M350-L352 VanDerWaalsContact C-N 3.33Å; M350-L352 HydrophobicContact CB-CD1 3.48Å; M350-L352 VanDerWaalsContact CB-CD1 3.48Å; M350-L352 HydrophobicContact CB-CD2 4.28Å; M350-L352 HydrophobicContact CB-CG 3.54Å; M350-L352 HydrophobicContact CG-CD1 4.16Å; M350-L352 PolarHBondContact O-N 2.7Å; M350-L352 HydrophobicContact SD-CD1 3.58Å; M350-L352 VanDerWaalsContact SD-CD1 3.58Å
351	K	86.3	Confident	88	Confident	205 Å²	205	74.5 Å²	74.5	89%	0.891	38%	0.379	S	S	*	.			trans	-79.7	85.2	169.5	-63.9	-177.3	-178.4	-178.2	0	108.5
352	L	86.3	Confident	88.3	Confident	47 Å²	47	79.9 Å²	79.9	25%	0.246	41%	0.406	C	S	.	.			trans	-116.4	126.4	-178.3	-59.8	174.2	0	0	0	109.8	A210 V236 M350 W354	A210-L352 HydrophobicContact CB-CD1 3.6Å; V236-L352 HydrophobicContact CB-CD2 4.22Å; V236-L352 HydrophobicContact CG1-CD1 3.91Å; V236-L352 HydrophobicContact CG1-CD2 3.26Å; V236-L352 HydrophobicContact CG1-CG 4.28Å; M350-L352 VanDerWaalsContact C-N 3.33Å; M350-L352 HydrophobicContact CB-CD1 3.48Å; M350-L352 VanDerWaalsContact CB-CD1 3.48Å; M350-L352 HydrophobicContact CB-CD2 4.28Å; M350-L352 HydrophobicContact CB-CG 3.54Å; M350-L352 HydrophobicContact CG-CD1 4.16Å; M350-L352 PolarHBondContact O-N 2.7Å; M350-L352 HydrophobicContact SD-CD1 3.58Å; M350-L352 VanDerWaalsContact SD-CD1 3.58Å; L352-W354 HydrophobicContact CB-CD2 4.08Å; L352-W354 HydrophobicContact CB-CG 3.75Å; L352-W354 VanDerWaalsContact CD1-CD1 3.45Å; L352-W354 HydrophobicContact CD1-CZ2 4.43Å; L352-W354 PolarHBondContact O-N 3.38Å
353	D	75.6	Confident	88.2	Confident	154 Å²	154	76.4 Å²	76.4	82%	0.824	40%	0.395	S	S	*	.			trans	-82.7	10.8	177.2	-45	-30.5	0	0	0	110.7
354	W	59.9	Low	87.8	Confident	84 Å²	84	78.1 Å²	78.1	32%	0.318	41%	0.41	S	S	.	.			trans	-61.6	0	178.4	51.5	-125.6	0	0	0	112.2	Q205 K208 K347 L352	Q205-W354 HydrophobicContact CG-CB 4.21Å; K208-W354 VanDerWaalsContact CA-CE3 3.41Å; K208-W354 HydrophobicContact CB-CD2 4.13Å; K208-W354 HydrophobicContact CB-CE3 3.38Å; K208-W354 HydrophobicContact CB-CH2 3.72Å; K208-W354 HydrophobicContact CB-CZ2 4.36Å; K208-W354 HydrophobicContact CB-CZ3 3.19Å; K208-W354 HydrophobicContact CD-CE3 4.02Å; K208-W354 HydrophobicContact CD-CZ3 3.55Å; K208-W354 HydrophobicContact CG-CD2 4.44Å; K208-W354 HydrophobicContact CG-CE3 3.38Å; K208-W354 HydrophobicContact CG-CH2 4.34Å; K208-W354 HydrophobicContact CG-CZ3 3.35Å; K347-W354 HydrophobicContact CB-CZ2 4.09Å; K347-W354 HydrophobicContact CD-CZ2 4.11Å; K347-W354 HydrophobicContact CG-CZ2 4.31Å; L352-W354 HydrophobicContact CB-CD2 4.08Å; L352-W354 HydrophobicContact CB-CG 3.75Å; L352-W354 VanDerWaalsContact CD1-CD1 3.45Å; L352-W354 HydrophobicContact CD1-CZ2 4.43Å; L352-W354 PolarHBondContact O-N 3.38Å

Retrieved 354 of 354 residues in 530 ms (Link to these results)

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