A0A087WVT3_HUMAN Loading...

Acyloxyacyl hydrolase

AlphaFold DB , UniProt , Accession A0A087WVT3, Species HUMAN (Homo sapiens, Human), Gene AOAH, Length 688 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	M	27.9	Very low	27.4	Very low	245 Å²	245	145.7 Å²	145.7	100%	1.207	75%	0.751	S	S	*	*				0	165.8	0	-74.6	155.1	71.7	0	0	108.9
2	Q	25.5	Very low	27.7	Very low	201 Å²	201	134.8 Å²	134.8	94%	0.939	70%	0.696	S	S	*	*			trans	-79.2	161.8	-146.6	-68.5	175.3	-14	0	0	116.9
3	S	22	Very low	27.7	Very low	92 Å²	92	128.7 Å²	128.7	64%	0.643	67%	0.665	S	S	*	*			trans	-84.1	152.8	-166.5	134.8	0	0	0	0	115.2	W5	S3-W5 PolarHBondContact O-N 3.07Å; S3-W5 WeakPolarHBondContact OG-CB 3.46Å; S3-W5 PolarHBondContact OG-N 2.86Å
4	P	27.3	Very low	27.9	Very low	122 Å²	122	125 Å²	125	79%	0.792	64%	0.642	S	S	*	*			trans	-89.6	20.3	177.6	37.8	-36.3	0	0	0	114.8	K6	P4-K6 PolarHBondContact O-N 3.26Å
5	W	23.6	Very low	28.1	Very low	233 Å²	233	120.4 Å²	120.4	88%	0.883	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	41.4	-167.5	-139.9	62.7	0	0	0	115.4	S3	S3-W5 PolarHBondContact O-N 3.07Å; S3-W5 WeakPolarHBondContact OG-CB 3.46Å; S3-W5 PolarHBondContact OG-N 2.86Å
6	K	25	Very low	28.2	Very low	190 Å²	190	118.1 Å²	118.1	83%	0.826	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.6	11.1	-172.8	-82.1	-165.2	174.9	-175.5	0	117.9	P4	P4-K6 PolarHBondContact O-N 3.26Å
7	I	27	Very low	28.4	Very low	160 Å²	160	114.1 Å²	114.1	82%	0.821	59%	0.587	S	S	*	*	S	Bend	trans	-102.5	-5.6	-168.4	-65.4	176.3	0	0	0	114.7
8	L	28.3	Very low	28.3	Very low	153 Å²	153	112.2 Å²	112.2	80%	0.801	59%	0.585	S	S	*	*	S	Bend	trans	-110	10.1	-165.8	-88.4	164	0	0	0	117.8
9	T	31.6	Very low	28.3	Very low	108 Å²	108	108.1 Å²	108.1	66%	0.663	56%	0.564	S	S	*	*	S	Bend	trans	-106.1	5.3	-160.9	49.5	0	0	0	0	118.5
10	V	28.3	Very low	28.7	Very low	60 Å²	60	105.3 Å²	105.3	36%	0.364	55%	0.548	S	S	.	.	S	Bend	trans	-129.2	-11.6	-176.9	-159.2	0	0	0	0	115.3	S157	V10-S157 WeakPolarHBondContact CG1-OG 3.3Å
11	A	35.3	Very low	28.6	Very low	39 Å²	39	105.1 Å²	105.1	32%	0.322	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-50.3	-44.6	-178.3	0	0	0	0	0	117.8	I159	A11-I159 HydrophobicContact CB-CD1 3.54Å; A11-I159 HydrophobicContact CB-CG1 3.93Å
12	P	30.6	Very low	28.6	Very low	14 Å²	14	94 Å²	94	9%	0.091	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-18.3	-157	13.3	-1.1	0	0	0	115.7	F14 L15 T82 L85	P12-F14 PolarHBondContact O-N 3.03Å; P12-L15 PolarHBondContact O-N 3.34Å; P12-T82 HydrophobicContact CB-CG2 3.92Å; P12-T82 WeakPolarHBondContact CB-OG1 3.29Å; P12-T82 VanDerWaalsContact O-CG2 3.3Å; P12-T82 WeakPolarHBondContact O-CG2 3.49Å; P12-L85 HydrophobicContact CG-CB 4.43Å; P12-L85 HydrophobicContact CG-CD1 3.29Å; P12-L85 HydrophobicContact CG-CG 4.47Å
13	L	27.2	Very low	28.6	Very low	56 Å²	56	86.4 Å²	86.4	29%	0.293	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.7	-171.1	-137.2	84.5	0	0	0	113	L17 V86	L13-L17 HydrophobicContact CD2-CD1 4.44Å; L13-L17 WeakPolarHBondContact O-CD1 3.24Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-V86 HydrophobicContact CD1-CG2 3.96Å
14	F	31.6	Very low	29	Very low	77 Å²	77	84 Å²	84	34%	0.338	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-24.5	-176.2	-80.5	-80.7	0	0	0	115	P12 L16 L17 S18	P12-F14 PolarHBondContact O-N 3.03Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 3.19Å; F14-L17 CarbonylContact O-C 3.56Å; F14-L17 PolarHBondContact O-N 3.02Å; F14-S18 WeakPolarHBondContact O-CB 3.31Å; F14-S18 PolarHBondContact O-N 3.34Å; F14-S18 PolarHBondContact O-OG 2.84Å
15	L	30.1	Very low	28.9	Very low	56 Å²	56	79.7 Å²	79.7	29%	0.293	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-21.1	-174.4	-95.7	152.1	0	0	0	114.3	P12	P12-L15 PolarHBondContact O-N 3.34Å
16	L	30.2	Very low	28.9	Very low	83 Å²	83	71.6 Å²	71.6	44%	0.435	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-16.5	167	-79.8	162.4	0	0	0	112.9	F14 T82	F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 3.19Å; L16-T82 HydrophobicContact CD1-CG2 3.9Å
17	L	30.6	Very low	29	Very low	51 Å²	51	68.1 Å²	68.1	27%	0.267	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-7.9	-176.6	-63.7	177.2	0	0	0	114	L13 F14 L35	L13-L17 HydrophobicContact CD2-CD1 4.44Å; L13-L17 WeakPolarHBondContact O-CD1 3.24Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; F14-L17 CarbonylContact O-C 3.56Å; F14-L17 PolarHBondContact O-N 3.02Å; L17-L35 HydrophobicContact CB-CD2 4.22Å; L17-L35 HydrophobicContact CD1-CD2 4.25Å; L17-L35 HydrophobicContact CD2-CD2 4.06Å; L17-L35 HydrophobicContact CG-CD2 4.41Å; L17-L35 VanDerWaalsContact O-CD1 3.27Å; L17-L35 WeakPolarHBondContact O-CD1 3.35Å
18	S	27.2	Very low	29.2	Very low	79 Å²	79	66.9 Å²	66.9	55%	0.552	40%	0.397	S	S	*	.	S	Bend	trans	-97.5	1.3	179.3	58	0	0	0	0	114.5	F14 Q20	F14-S18 WeakPolarHBondContact O-CB 3.31Å; F14-S18 PolarHBondContact O-N 3.34Å; F14-S18 PolarHBondContact O-OG 2.84Å; S18-Q20 PolarHBondContact O-N 3.06Å
19	L	29.4	Very low	29	Very low	35 Å²	35	66 Å²	66	18%	0.183	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-71.8	-1.3	176.7	-82.5	151	0	0	0	114.9	L292 L296	L19-L292 HydrophobicContact CD1-CD1 4.14Å; L19-L292 HydrophobicContact CD1-CD2 3.62Å; L19-L292 HydrophobicContact CD1-CG 4.39Å; L19-L292 HydrophobicContact CD2-CB 4.28Å; L19-L292 HydrophobicContact CD2-CD2 3.71Å; L19-L292 HydrophobicContact CD2-CG 4.46Å; L19-L292 HydrophobicContact CG-CD2 4.27Å; L19-L296 HydrophobicContact CD2-CD1 4.44Å; L19-L296 HydrophobicContact CD2-CD2 4.46Å; L19-L296 HydrophobicContact CD2-CG 4.2Å
20	Q	35.5	Very low	28.8	Very low	51 Å²	51	70.1 Å²	70.1	24%	0.238	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-103.5	16.8	-160.1	-69.2	172.3	-27.7	0	0	114.7	S18 L35 H39	S18-Q20 PolarHBondContact O-N 3.06Å; Q20-L35 VanDerWaalsContact OE1-CD1 3.27Å; Q20-H39 HydrophobicContact CG-CB 4.47Å; Q20-H39 PolarHBondContact NE2-O 3.3Å; Q20-H39 VanDerWaalsContact NE2-O 3.13Å
21	S	27.1	Very low	28.6	Very low	103 Å²	103	72.2 Å²	72.2	72%	0.72	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-86.2	-11.9	159.6	-70.4	0	0	0	0	113.1	A23	S21-A23 PolarHBondContact O-N 3.39Å
22	S	27.3	Very low	28.1	Very low	10 Å²	10	81 Å²	81	7%	0.07	45%	0.447	C	S	.	.	S	Bend	trans	-97.7	28.7	-168.2	-47	0	0	0	0	114.7	E295 N340	S22-E295 WeakPolarHBondContact CB-O 3.47Å; S22-N340 WeakPolarHBondContact O-CB 3.45Å; S22-N340 PolarHBondContact O-ND2 3.19Å; S22-N340 VanDerWaalsContact O-ND2 3.07Å
23	A	26.4	Very low	27.9	Very low	42 Å²	42	86.1 Å²	86.1	35%	0.347	48%	0.48	S	S	.	.	S	Bend	trans	-158.7	-11.3	175.4	0	0	0	0	0	115.1	S21	S21-A23 PolarHBondContact O-N 3.39Å
24	S	28.9	Very low	28	Very low	41 Å²	41	88.4 Å²	88.4	29%	0.287	50%	0.5	S	S	.	.	S	Bend	trans	-95.9	139.7	178.8	-62.1	0	0	0	0	110.9	A26 H39	S24-A26 PolarHBondContact O-N 2.92Å; S24-H39 PolarHBondContact OG-NE2 3.28Å
25	P	25.4	Very low	28.5	Very low	33 Å²	33	87.9 Å²	87.9	21%	0.214	50%	0.501	C	S	.	.			trans	-60.1	127.2	171	25.8	-33.4	0	0	0	109	N27	P25-N27 PolarHBondContact O-N 3.2Å
26	A	24.4	Very low	29.8	Very low	62 Å²	62	87.7 Å²	87.7	51%	0.512	50%	0.504	S	S	.	.			trans	-57.1	107.3	-177.2	0	0	0	0	0	110.6	S24 D28	S24-A26 PolarHBondContact O-N 2.92Å; A26-D28 PolarHBondContact O-N 3.2Å
27	N	27.2	Very low	31.7	Very low	118 Å²	118	87.5 Å²	87.5	63%	0.631	50%	0.504	S	S	*	.			trans	-75.1	118.5	178.7	-152.7	38.5	0	0	0	107.9	P25 D29	P25-N27 PolarHBondContact O-N 3.2Å; N27-D29 PolarHBondContact O-N 2.93Å
28	D	30.6	Very low	34.1	Very low	133 Å²	133	85.4 Å²	85.4	71%	0.711	49%	0.494	S	S	*	.			trans	-73.6	92.8	167.2	-80.9	-23.7	0	0	0	107.9	A26 K349	A26-D28 PolarHBondContact O-N 3.2Å; D28-K349 IonicContact OD1-NZ 2.68Å; D28-K349 PolarHBondContact OD1-NZ 3.33Å
29	D	24.5	Very low	36.5	Very low	134 Å²	134	82.9 Å²	82.9	72%	0.717	47%	0.474	S	S	*	.			trans	-153.2	145.3	151.9	-150.7	-13.4	0	0	0	111.6	N27 S31	N27-D29 PolarHBondContact O-N 2.93Å; D29-S31 PolarHBondContact O-N 3.16Å
30	Q	28.1	Very low	38.9	Very low	196 Å²	196	82.3 Å²	82.3	92%	0.916	47%	0.472	S	S	*	.			trans	-80.1	84.4	-177.2	-78.4	-175.4	-24.6	0	0	111.7
31	S	23.6	Very low	41.2	Very low	103 Å²	103	80 Å²	80	72%	0.72	46%	0.461	S	S	*	.			trans	-146.6	154.4	156.9	56.4	0	0	0	0	111.8	D29	D29-S31 PolarHBondContact O-N 3.16Å
32	R	24	Very low	44.1	Very low	225 Å²	225	76.7 Å²	76.7	85%	0.849	44%	0.436	S	S	*	.			trans	-55.7	155	-177.3	-67.6	173.4	175.9	172	-2.5	110.9	S34	R32-S34 PolarHBondContact O-N 2.81Å
33	P	27.4	Very low	46.7	Very low	121 Å²	121	77.6 Å²	77.6	79%	0.786	45%	0.447	S	S	*	.			trans	-70.6	73.8	174.2	30.9	-35.4	0	0	0	111.3	L35	P33-L35 PolarHBondContact O-N 3.21Å
34	S	28	Very low	49.6	Very low	103 Å²	103	76.4 Å²	76.4	72%	0.72	44%	0.436	S	S	*	.			trans	-70.9	113.2	155.5	54.7	0	0	0	0	106.9	R32 S36	R32-S34 PolarHBondContact O-N 2.81Å; S34-S36 PolarHBondContact O-N 3.39Å
35	L	41.9	Very low	52.6	Low	67 Å²	67	74.5 Å²	74.5	35%	0.351	42%	0.423	S	S	.	.			trans	-39	127.4	174.4	-167.3	69.3	0	0	0	111.6	L17 Q20 P33 N37 T40	L17-L35 HydrophobicContact CB-CD2 4.22Å; L17-L35 HydrophobicContact CD1-CD2 4.25Å; L17-L35 HydrophobicContact CD2-CD2 4.06Å; L17-L35 HydrophobicContact CG-CD2 4.41Å; L17-L35 VanDerWaalsContact O-CD1 3.27Å; L17-L35 WeakPolarHBondContact O-CD1 3.35Å; Q20-L35 VanDerWaalsContact OE1-CD1 3.27Å; P33-L35 PolarHBondContact O-N 3.21Å; L35-N37 PolarHBondContact O-N 3.49Å; L35-T40 HydrophobicContact CD2-CG2 4.41Å; L35-T40 WeakPolarHBondContact CD2-OG1 3.21Å; L35-T40 WeakPolarHBondContact CG-OG1 3.47Å
36	S	57.8	Low	55.8	Low	52 Å²	52	75.4 Å²	75.4	36%	0.364	43%	0.426	S	S	.	.			trans	-59.9	130.3	175.7	163.4	0	0	0	0	109.7	S34 G38 H39 T40	S34-S36 PolarHBondContact O-N 3.39Å; S36-G38 PolarHBondContact O-N 3.41Å; S36-G38 PolarHBondContact OG-N 2.97Å; S36-H39 PolarHBondContact O-N 2.8Å; S36-T40 PolarHBondContact O-N 3.29Å; S36-T40 VanDerWaalsContact O-N 3.15Å; S36-T40 PolarHBondContact O-OG1 3.24Å; S36-T40 VanDerWaalsContact O-OG1 3.05Å
37	N	70.6	Confident	58.8	Low	79 Å²	79	75.4 Å²	75.4	42%	0.422	42%	0.419	S	S	.	.	H	α-helix	trans	-55.7	-33.2	175.4	-69.2	-51.7	0	0	0	111.3	L35 C41	L35-N37 PolarHBondContact O-N 3.49Å; N37-C41 WeakPolarHBondContact O-CB 3.31Å; N37-C41 PolarHBondContact O-N 3.33Å; N37-C41 VanDerWaalsContact O-N 3.08Å
38	G	80.6	Confident	62	Low	6 Å²	6	69.9 Å²	69.9	6%	0.062	39%	0.39	C	S	.	.	H	α-helix	trans	-68.2	-44	178.9	0	0	0	0	0	112.9	S36 T40 C41 V42	S36-G38 PolarHBondContact O-N 3.41Å; S36-G38 PolarHBondContact OG-N 2.97Å; G38-T40 VanDerWaalsContact C-N 3.28Å; G38-T40 PolarHBondContact O-N 2.94Å; G38-C41 WeakPolarHBondContact O-CB 3.3Å; G38-C41 PolarHBondContact O-N 3.28Å; G38-C41 VanDerWaalsContact O-N 3.15Å; G38-V42 WeakPolarHBondContact O-CG2 3.38Å; G38-V42 PolarHBondContact O-N 3.21Å
39	H	77.8	Confident	65.1	Low	27 Å²	27	63.6 Å²	63.6	13%	0.125	36%	0.356	C	S	.	.	H	α-helix	trans	-64.8	-33.2	177.6	-85.3	-40.7	0	0	0	112.7	Q20 S24 S36 G43 V456	Q20-H39 HydrophobicContact CG-CB 4.47Å; Q20-H39 PolarHBondContact NE2-O 3.3Å; Q20-H39 VanDerWaalsContact NE2-O 3.13Å; S24-H39 PolarHBondContact OG-NE2 3.28Å; S36-H39 PolarHBondContact O-N 2.8Å; H39-G43 PolarHBondContact O-N 3.01Å; H39-V456 HydrophobicContact CB-CG1 4.43Å
40	T	79.3	Confident	68.6	Low	23 Å²	23	57.4 Å²	57.4	14%	0.141	32%	0.323	C	S	.	.	H	α-helix	trans	-67.4	-42.5	173.4	-50	0	0	0	0	111	L35 S36 G38 G43 C44 F113	L35-T40 HydrophobicContact CD2-CG2 4.41Å; L35-T40 WeakPolarHBondContact CD2-OG1 3.21Å; L35-T40 WeakPolarHBondContact CG-OG1 3.47Å; S36-T40 PolarHBondContact O-N 3.29Å; S36-T40 VanDerWaalsContact O-N 3.15Å; S36-T40 PolarHBondContact O-OG1 3.24Å; S36-T40 VanDerWaalsContact O-OG1 3.05Å; G38-T40 VanDerWaalsContact C-N 3.28Å; G38-T40 PolarHBondContact O-N 2.94Å; T40-G43 PolarHBondContact O-N 3.07Å; T40-C44 PolarHBondContact O-N 3.42Å; T40-F113 HydrophobicContact CG2-CB 4.26Å; T40-F113 HydrophobicContact CG2-CD1 3.78Å
41	C	85.2	Confident	71.8	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.007	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-47.3	177.5	-178.8	0	0	0	0	112.2	N37 G38 G43 C44 V45 F113 C114 L454	N37-C41 WeakPolarHBondContact O-CB 3.31Å; N37-C41 PolarHBondContact O-N 3.33Å; N37-C41 VanDerWaalsContact O-N 3.08Å; G38-C41 WeakPolarHBondContact O-CB 3.3Å; G38-C41 PolarHBondContact O-N 3.28Å; G38-C41 VanDerWaalsContact O-N 3.15Å; C41-G43 VanDerWaalsContact C-N 3.34Å; C41-G43 PolarHBondContact O-N 2.89Å; C41-C44 PolarHBondContact O-N 3.47Å; C41-V45 WeakPolarHBondContact O-CG2 3.45Å; C41-V45 PolarHBondContact O-N 2.95Å; C41-F113 PolarHBondContact N-O 3.05Å; C41-C114 WeakPolarHBondContact CA-SG 3.47Å; C41-C114 HydrophobicContact CB-CB 3.85Å; C41-C114 WeakPolarHBondContact CB-SG 3.44Å; C41-C114 WeakPolarHBondContact SG-CB 3.01Å; C41-C114 CovalentContact SG-SG 2.03Å; C41-C114 PolarHBondContact SG-SG 3.25Å; C41-L454 HydrophobicContact CB-CD1 4.05Å; C41-L454 HydrophobicContact CB-CD2 4.21Å
42	V	87.9	Confident	75.3	Confident	35 Å²	35	46.3 Å²	46.3	21%	0.212	26%	0.26	C	S	.	.	H	α-helix	trans	-56.6	-47.3	175.6	176.2	0	0	0	0	111.3	G38 C44 V45 L46 F450 L451 L454 V456	G38-V42 WeakPolarHBondContact O-CG2 3.38Å; G38-V42 PolarHBondContact O-N 3.21Å; V42-C44 PolarHBondContact O-N 3.19Å; V42-V45 PolarHBondContact O-N 3.39Å; V42-L46 WeakPolarHBondContact O-CB 3.12Å; V42-L46 PolarHBondContact O-N 2.89Å; V42-F450 HydrophobicContact CB-CE1 4.49Å; V42-F450 HydrophobicContact CG2-CE1 3.89Å; V42-L451 HydrophobicContact CG1-CD2 4.43Å; V42-L451 HydrophobicContact CG2-CD2 3.73Å; V42-L454 HydrophobicContact CG2-CD1 3.71Å; V42-V456 HydrophobicContact CG2-CG2 3.85Å
43	G	81.1	Confident	78.8	Confident	29 Å²	29	36 Å²	36	30%	0.299	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-43.2	179.5	0	0	0	0	0	112.9	H39 T40 C41 V47	H39-G43 PolarHBondContact O-N 3.01Å; T40-G43 PolarHBondContact O-N 3.07Å; C41-G43 VanDerWaalsContact C-N 3.34Å; C41-G43 PolarHBondContact O-N 2.89Å; G43-V47 WeakPolarHBondContact O-CG2 3.48Å; G43-V47 PolarHBondContact O-N 3.48Å; G43-V47 VanDerWaalsContact O-N 3.13Å
44	C	86.9	Confident	82.1	Confident	16 Å²	16	30.2 Å²	30.2	11%	0.108	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-51.1	175.4	179.7	0	0	0	0	111.8	T40 C41 V42 L46 V47 V48 C108 F113	T40-C44 PolarHBondContact O-N 3.42Å; C41-C44 PolarHBondContact O-N 3.47Å; V42-C44 PolarHBondContact O-N 3.19Å; C44-L46 VanDerWaalsContact C-N 3.32Å; C44-L46 PolarHBondContact O-N 3.47Å; C44-V47 PolarHBondContact O-N 2.93Å; C44-V48 WeakPolarHBondContact O-CG2 3.16Å; C44-V48 PolarHBondContact O-N 3.5Å; C44-C108 HydrophobicContact CB-CB 3.81Å; C44-C108 WeakPolarHBondContact CB-SG 3.23Å; C44-C108 PolarHBondContact O-SG 3.09Å; C44-C108 VanDerWaalsContact SG-CA 3.53Å; C44-C108 WeakPolarHBondContact SG-CB 3.35Å; C44-C108 CovalentContact SG-SG 2.04Å; C44-C108 PolarHBondContact SG-SG 3.29Å; C44-F113 HydrophobicContact CB-CB 3.59Å; C44-F113 HydrophobicContact CB-CD2 4.11Å; C44-F113 HydrophobicContact CB-CG 3.91Å; C44-F113 WeakPolarHBondContact SG-CD2 3.44Å
45	V	92.9	Very high	85.4	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-45	-176.3	171.5	0	0	0	0	110.1	C41 V42 V47 V48 S49 A104 C108 L125 Y126 F450	C41-V45 WeakPolarHBondContact O-CG2 3.45Å; C41-V45 PolarHBondContact O-N 2.95Å; V42-V45 PolarHBondContact O-N 3.39Å; V45-V47 PolarHBondContact O-N 3.35Å; V45-V48 PolarHBondContact O-N 2.84Å; V45-S49 WeakPolarHBondContact O-CB 3.4Å; V45-S49 PolarHBondContact O-N 3.34Å; V45-S49 PolarHBondContact O-OG 3.24Å; V45-A104 HydrophobicContact CG1-CB 4.03Å; V45-C108 HydrophobicContact CG2-CB 3.91Å; V45-C108 PolarHBondContact N-SG 2.98Å; V45-L125 HydrophobicContact CG1-CB 4.12Å; V45-L125 HydrophobicContact CG1-CD2 3.63Å; V45-Y126 HydrophobicContact CG1-CE2 4.19Å; V45-F450 HydrophobicContact CB-CZ 4.2Å; V45-F450 HydrophobicContact CG1-CZ 4.36Å; V45-F450 HydrophobicContact CG2-CZ 3.98Å
46	L	91.8	Very high	88.1	Confident	53 Å²	53	26.8 Å²	26.8	28%	0.277	16%	0.157	S	C	.	.	H	α-helix	trans	-57.7	-49.3	175.8	-178.1	158.5	0	0	0	112.5	V42 C44 S49 V50 I275 L435	V42-L46 WeakPolarHBondContact O-CB 3.12Å; V42-L46 PolarHBondContact O-N 2.89Å; C44-L46 VanDerWaalsContact C-N 3.32Å; C44-L46 PolarHBondContact O-N 3.47Å; L46-S49 PolarHBondContact O-N 2.94Å; L46-V50 HydrophobicContact CD2-CG2 4.43Å; L46-V50 WeakPolarHBondContact O-CG2 3.38Å; L46-V50 PolarHBondContact O-N 3.17Å; L46-I275 HydrophobicContact CD1-CG2 4.15Å; L46-I275 HydrophobicContact CD2-CG2 4.05Å; L46-I275 HydrophobicContact CG-CG2 4.26Å; L46-L435 HydrophobicContact CG-CD1 4.24Å
47	V	87.8	Confident	90	Very high	61 Å²	61	26.8 Å²	26.8	37%	0.37	16%	0.155	S	C	.	.	H	α-helix	trans	-66.2	-43.4	-177.8	170	0	0	0	0	111.5	G43 C44 V45 V50 I51	G43-V47 WeakPolarHBondContact O-CG2 3.48Å; G43-V47 PolarHBondContact O-N 3.48Å; G43-V47 VanDerWaalsContact O-N 3.13Å; C44-V47 PolarHBondContact O-N 2.93Å; V45-V47 PolarHBondContact O-N 3.35Å; V47-V50 PolarHBondContact O-N 3.3Å; V47-I51 HydrophobicContact CG1-CD1 3.78Å; V47-I51 WeakPolarHBondContact O-CD1 3.41Å; V47-I51 VanDerWaalsContact O-CG1 3.29Å; V47-I51 WeakPolarHBondContact O-CG1 3.39Å; V47-I51 PolarHBondContact O-N 3.02Å
48	V	94.6	Very high	91.2	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-42.1	177.7	177.3	0	0	0	0	110.9	C44 V45 V50 I51 E52 L98 A104 V107	C44-V48 WeakPolarHBondContact O-CG2 3.16Å; C44-V48 PolarHBondContact O-N 3.5Å; V45-V48 PolarHBondContact O-N 2.84Å; V48-V50 PolarHBondContact O-N 3.37Å; V48-I51 PolarHBondContact O-N 3.17Å; V48-E52 WeakPolarHBondContact O-CB 3.36Å; V48-E52 PolarHBondContact O-N 3.26Å; V48-L98 HydrophobicContact CG1-CD1 4.35Å; V48-L98 HydrophobicContact CG1-CD2 4.04Å; V48-L98 HydrophobicContact CG1-CG 4.47Å; V48-A104 HydrophobicContact CB-CB 3.94Å; V48-A104 HydrophobicContact CG1-CB 3.83Å; V48-V107 HydrophobicContact CG1-CB 4.08Å; V48-V107 HydrophobicContact CG1-CG1 4.11Å; V48-V107 HydrophobicContact CG1-CG2 4.13Å; V48-V107 HydrophobicContact CG2-CG1 3.98Å
49	S	96.3	Very high	92	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-44.7	173.7	-64.9	0	0	0	0	112.7	V45 L46 E52 Q53 A104 Y126	V45-S49 WeakPolarHBondContact O-CB 3.4Å; V45-S49 PolarHBondContact O-N 3.34Å; V45-S49 PolarHBondContact O-OG 3.24Å; L46-S49 PolarHBondContact O-N 2.94Å; S49-E52 PolarHBondContact O-N 2.97Å; S49-Q53 WeakPolarHBondContact O-CB 3.48Å; S49-Q53 VanDerWaalsContact O-CG 3.22Å; S49-Q53 WeakPolarHBondContact O-CG 3.22Å; S49-Q53 PolarHBondContact O-N 3.33Å; S49-A104 WeakPolarHBondContact OG-CB 3.46Å; S49-Y126 VanDerWaalsContact CB-OH 3.3Å; S49-Y126 WeakPolarHBondContact CB-OH 3.3Å; S49-Y126 VanDerWaalsContact OG-CE2 3.29Å; S49-Y126 WeakPolarHBondContact OG-CE2 3.38Å; S49-Y126 PolarHBondContact OG-OH 3.22Å
50	V	96.3	Very high	92.9	Very high	4 Å²	4	34 Å²	34	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-40.7	177.8	168.4	0	0	0	0	111.5	L46 V47 V48 Q53 L54 L69 I275 M280 L435	L46-V50 HydrophobicContact CD2-CG2 4.43Å; L46-V50 WeakPolarHBondContact O-CG2 3.38Å; L46-V50 PolarHBondContact O-N 3.17Å; V47-V50 PolarHBondContact O-N 3.3Å; V48-V50 PolarHBondContact O-N 3.37Å; V50-Q53 PolarHBondContact O-N 3.15Å; V50-L54 HydrophobicContact CG1-CD1 3.95Å; V50-L54 HydrophobicContact CG1-CG 4.38Å; V50-L54 WeakPolarHBondContact O-CB 3.42Å; V50-L54 VanDerWaalsContact O-CG 3.3Å; V50-L54 WeakPolarHBondContact O-CG 3.5Å; V50-L54 PolarHBondContact O-N 3.3Å; V50-L69 HydrophobicContact CG1-CD1 4.06Å; V50-L69 HydrophobicContact CG1-CD2 4.19Å; V50-I275 HydrophobicContact CG2-CB 4.37Å; V50-M280 HydrophobicContact CG1-CE 3.62Å; V50-M280 HydrophobicContact CG1-SD 4.03Å; V50-L435 HydrophobicContact CG2-CD2 3.91Å
51	I	96.1	Very high	93.7	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-45.8	176.3	-69.2	160.7	0	0	0	111	V47 V48 L54 A55 V62 M66 L69 L98	V47-I51 HydrophobicContact CG1-CD1 3.78Å; V47-I51 WeakPolarHBondContact O-CD1 3.41Å; V47-I51 VanDerWaalsContact O-CG1 3.29Å; V47-I51 WeakPolarHBondContact O-CG1 3.39Å; V47-I51 PolarHBondContact O-N 3.02Å; V48-I51 PolarHBondContact O-N 3.17Å; I51-L54 PolarHBondContact O-N 3.26Å; I51-A55 PolarHBondContact O-N 3.39Å; I51-A55 VanDerWaalsContact O-N 3.09Å; I51-V62 HydrophobicContact CG2-CG1 3.88Å; I51-M66 HydrophobicContact CB-CG 4.4Å; I51-M66 HydrophobicContact CD1-CG 3.78Å; I51-M66 HydrophobicContact CD1-SD 4.26Å; I51-M66 HydrophobicContact CG1-CG 3.91Å; I51-M66 HydrophobicContact CG2-CG 3.56Å; I51-L69 HydrophobicContact CG1-CD2 3.94Å; I51-L98 HydrophobicContact CG2-CD1 4.16Å
52	E	96.8	Very high	94.3	Very high	58 Å²	58	38.2 Å²	38.2	27%	0.271	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-45.7	178.1	-168.3	-172.7	159.6	0	0	111.2	V48 S49 A55 Q56 L98	V48-E52 WeakPolarHBondContact O-CB 3.36Å; V48-E52 PolarHBondContact O-N 3.26Å; S49-E52 PolarHBondContact O-N 2.97Å; E52-A55 WeakPolarHBondContact O-CB 3.31Å; E52-A55 PolarHBondContact O-N 3.38Å; E52-Q56 WeakPolarHBondContact O-CG 3.24Å; E52-Q56 PolarHBondContact O-N 3.36Å; E52-Q56 PolarHBondContact OE1-NE2 3.18Å; E52-L98 HydrophobicContact CB-CD1 4.46Å; E52-L98 HydrophobicContact CB-CD2 4.24Å; E52-L98 HydrophobicContact CG-CD2 4.15Å
53	Q	97.7	Very high	94.6	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-68.7	-35	178.7	-68	176	27.5	0	0	112.8	S49 V50 A55 Q56 V57 A277 L435 L438	S49-Q53 WeakPolarHBondContact O-CB 3.48Å; S49-Q53 VanDerWaalsContact O-CG 3.22Å; S49-Q53 WeakPolarHBondContact O-CG 3.22Å; S49-Q53 PolarHBondContact O-N 3.33Å; V50-Q53 PolarHBondContact O-N 3.15Å; Q53-A55 VanDerWaalsContact C-N 3.29Å; Q53-A55 PolarHBondContact O-N 3.43Å; Q53-Q56 PolarHBondContact O-N 3.36Å; Q53-V57 WeakPolarHBondContact O-CB 3.26Å; Q53-V57 VanDerWaalsContact O-CG2 3.24Å; Q53-V57 WeakPolarHBondContact O-CG2 3.47Å; Q53-V57 PolarHBondContact O-N 2.97Å; Q53-A277 HydrophobicContact CB-CB 3.53Å; Q53-L435 PolarHBondContact NE2-O 3.3Å; Q53-L438 HydrophobicContact CB-CD2 3.84Å; Q53-L438 HydrophobicContact CG-CD2 3.9Å
54	L	97.5	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-34.3	172	-78.2	170.9	0	0	0	112	V50 I51 H58 L69 A277 M280	V50-L54 HydrophobicContact CG1-CD1 3.95Å; V50-L54 HydrophobicContact CG1-CG 4.38Å; V50-L54 WeakPolarHBondContact O-CB 3.42Å; V50-L54 VanDerWaalsContact O-CG 3.3Å; V50-L54 WeakPolarHBondContact O-CG 3.5Å; V50-L54 PolarHBondContact O-N 3.3Å; I51-L54 PolarHBondContact O-N 3.26Å; L54-H58 WeakPolarHBondContact O-CB 3.49Å; L54-H58 PolarHBondContact O-CD2 3.36Å; L54-H58 PolarHBondContact O-N 3.49Å; L54-L69 HydrophobicContact CD1-CB 3.86Å; L54-L69 HydrophobicContact CD1-CD1 4.18Å; L54-L69 HydrophobicContact CD1-CG 4.46Å; L54-A277 HydrophobicContact CD2-CB 4Å; L54-A277 HydrophobicContact CG-CB 3.96Å; L54-M280 HydrophobicContact CD1-SD 4Å; L54-M280 HydrophobicContact CD2-CB 4.35Å; L54-M280 HydrophobicContact CD2-SD 4.26Å; L54-M280 HydrophobicContact CG-SD 4.47Å
55	A	97.5	Very high	95.9	Very high	17 Å²	17	40.8 Å²	40.8	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-65.8	-43.5	173.3	0	0	0	0	0	111.6	I51 E52 Q53 N59 S60 S65	I51-A55 PolarHBondContact O-N 3.39Å; I51-A55 VanDerWaalsContact O-N 3.09Å; E52-A55 WeakPolarHBondContact O-CB 3.31Å; E52-A55 PolarHBondContact O-N 3.38Å; Q53-A55 VanDerWaalsContact C-N 3.29Å; Q53-A55 PolarHBondContact O-N 3.43Å; A55-N59 VanDerWaalsContact O-CA 3.31Å; A55-N59 WeakPolarHBondContact O-CA 3.49Å; A55-N59 PolarHBondContact O-N 3.49Å; A55-S60 WeakPolarHBondContact CA-O 3.2Å; A55-S60 VanDerWaalsContact CB-O 3.3Å; A55-S60 WeakPolarHBondContact CB-O 3.33Å; A55-S60 PolarHBondContact O-N 3.4Å; A55-S65 WeakPolarHBondContact CA-OG 3.26Å; A55-S65 WeakPolarHBondContact CB-OG 3.43Å; A55-S65 PolarHBondContact N-OG 3.21Å
56	Q	97.3	Very high	96	Very high	81 Å²	81	40.9 Å²	40.9	38%	0.379	23%	0.225	S	C	.	.	H	α-helix	trans	-64.1	-52.1	176	-66.2	166.7	8.1	0	0	112	E52 Q53 H58 N59 L438 N439	E52-Q56 WeakPolarHBondContact O-CG 3.24Å; E52-Q56 PolarHBondContact O-N 3.36Å; E52-Q56 PolarHBondContact OE1-NE2 3.18Å; Q53-Q56 PolarHBondContact O-N 3.36Å; Q56-H58 VanDerWaalsContact C-N 3.33Å; Q56-H58 PolarHBondContact O-N 3.41Å; Q56-N59 PolarHBondContact O-N 3.17Å; Q56-L438 HydrophobicContact CB-CD2 4.26Å; Q56-N439 PolarHBondContact OE1-ND2 2.94Å; Q56-N439 PolarHBondContact OE1-OD1 3.18Å
57	V	97.6	Very high	96.2	Very high	52 Å²	52	42.4 Å²	42.4	32%	0.315	23%	0.231	S	C	.	.	H	α-helix	trans	-59.5	-39.6	-177.3	165.3	0	0	0	0	112.6	Q53 A277 L438	Q53-V57 WeakPolarHBondContact O-CB 3.26Å; Q53-V57 VanDerWaalsContact O-CG2 3.24Å; Q53-V57 WeakPolarHBondContact O-CG2 3.47Å; Q53-V57 PolarHBondContact O-N 2.97Å; V57-A277 HydrophobicContact CG2-CB 4.24Å; V57-L438 HydrophobicContact CG2-CD1 4.06Å; V57-L438 HydrophobicContact CG2-CD2 3.84Å
58	H	96.9	Very high	96.6	Very high	76 Å²	76	42.2 Å²	42.2	35%	0.352	22%	0.223	S	C	.	.	H	α-helix	trans	-102	4.9	-176.5	-67.7	-74.6	0	0	0	114.2	L54 Q56 S60 R68	L54-H58 WeakPolarHBondContact O-CB 3.49Å; L54-H58 PolarHBondContact O-CD2 3.36Å; L54-H58 PolarHBondContact O-N 3.49Å; Q56-H58 VanDerWaalsContact C-N 3.33Å; Q56-H58 PolarHBondContact O-N 3.41Å; H58-S60 PolarHBondContact O-N 3.02Å; H58-R68 VanDerWaalsContact CB-NH1 3.28Å; H58-R68 PolarHBondContact CD2-NH1 3.35Å; H58-R68 VanDerWaalsContact CG-CZ 3.46Å
59	N	96.6	Very high	96.6	Very high	159 Å²	159	43 Å²	43	85%	0.85	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.7	48.4	-173.4	-169.4	32.2	0	0	0	112.4	A55 Q56	A55-N59 VanDerWaalsContact O-CA 3.31Å; A55-N59 WeakPolarHBondContact O-CA 3.49Å; A55-N59 PolarHBondContact O-N 3.49Å; Q56-N59 PolarHBondContact O-N 3.17Å
60	S	96.4	Very high	96.4	Very high	29 Å²	29	43 Å²	43	20%	0.203	23%	0.227	C	C	.	.			trans	-125.6	159.3	-171.8	60.5	0	0	0	0	112.4	A55 H58 S65 R68	A55-S60 WeakPolarHBondContact CA-O 3.2Å; A55-S60 VanDerWaalsContact CB-O 3.3Å; A55-S60 WeakPolarHBondContact CB-O 3.33Å; A55-S60 PolarHBondContact O-N 3.4Å; H58-S60 PolarHBondContact O-N 3.02Å; S60-S65 PolarHBondContact OG-OG 3.29Å; S60-S65 VanDerWaalsContact OG-OG 3.07Å; S60-R68 PolarHBondContact OG-NH1 2.98Å
61	T	97.2	Very high	96.4	Very high	95 Å²	95	45 Å²	45	58%	0.583	24%	0.242	S	C	*	.			trans	-60.8	155.6	177.4	67	0	0	0	0	111.7	Q63 A64 S65	T61-Q63 PolarHBondContact O-N 3.07Å; T61-A64 PolarHBondContact O-N 3.29Å; T61-A64 WeakPolarHBondContact OG1-CB 3.11Å; T61-A64 PolarHBondContact OG1-N 2.86Å; T61-S65 WeakPolarHBondContact O-CB 3.36Å; T61-S65 PolarHBondContact O-N 2.87Å; T61-S65 PolarHBondContact O-OG 3.45Å
62	V	96.1	Very high	96.4	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.109	25%	0.247	C	C	.	.	H	α-helix	trans	-55.2	-40.5	174.2	174.7	0	0	0	0	110.9	I51 S65 M66 I94 I95 L98	I51-V62 HydrophobicContact CG2-CG1 3.88Å; V62-S65 PolarHBondContact O-N 2.81Å; V62-M66 HydrophobicContact CG1-CE 4.25Å; V62-M66 WeakPolarHBondContact O-CG 3.49Å; V62-M66 PolarHBondContact O-N 2.95Å; V62-I94 HydrophobicContact CG1-CG2 4.2Å; V62-I95 HydrophobicContact CB-CG1 4.03Å; V62-I95 HydrophobicContact CG1-CB 4.44Å; V62-I95 HydrophobicContact CG1-CG1 3.75Å; V62-L98 HydrophobicContact CG1-CD1 3.73Å; V62-L98 HydrophobicContact CG2-CB 3.86Å; V62-L98 HydrophobicContact CG2-CD1 4.02Å
63	Q	96	Very high	95.9	Very high	102 Å²	102	44.9 Å²	44.9	48%	0.477	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-53.8	175.3	-175.8	-179.8	-23.3	0	0	112.2	T61 S65 M66 E67 I95	T61-Q63 PolarHBondContact O-N 3.07Å; Q63-S65 PolarHBondContact O-N 3.24Å; Q63-M66 PolarHBondContact O-N 3.05Å; Q63-M66 VanDerWaalsContact O-N 3.16Å; Q63-E67 VanDerWaalsContact CG-OE1 3.31Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.49Å; Q63-E67 PolarHBondContact NE2-OE1 3.45Å; Q63-E67 WeakPolarHBondContact O-CG 3.48Å; Q63-E67 PolarHBondContact O-N 3.3Å; Q63-I95 HydrophobicContact CB-CD1 3.85Å; Q63-I95 HydrophobicContact CG-CD1 4.41Å
64	A	97	Very high	95.4	Very high	32 Å²	32	45.9 Å²	45.9	26%	0.264	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-30.1	179.4	0	0	0	0	0	112.2	T61 R68	T61-A64 PolarHBondContact O-N 3.29Å; T61-A64 WeakPolarHBondContact OG1-CB 3.11Å; T61-A64 PolarHBondContact OG1-N 2.86Å; A64-R68 WeakPolarHBondContact O-CB 3.26Å; A64-R68 PolarHBondContact O-N 3.34Å
65	S	97.5	Very high	94.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-74.4	-38	177.8	-53.1	0	0	0	0	112.4	A55 S60 T61 V62 Q63 L69	A55-S65 WeakPolarHBondContact CA-OG 3.26Å; A55-S65 WeakPolarHBondContact CB-OG 3.43Å; A55-S65 PolarHBondContact N-OG 3.21Å; S60-S65 PolarHBondContact OG-OG 3.29Å; S60-S65 VanDerWaalsContact OG-OG 3.07Å; T61-S65 WeakPolarHBondContact O-CB 3.36Å; T61-S65 PolarHBondContact O-N 2.87Å; T61-S65 PolarHBondContact O-OG 3.45Å; V62-S65 PolarHBondContact O-N 2.81Å; Q63-S65 PolarHBondContact O-N 3.24Å; S65-L69 WeakPolarHBondContact O-CB 3.23Å; S65-L69 PolarHBondContact O-N 3.01Å
66	M	94.1	Very high	93.8	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-47.5	170	-68.9	-172	-63.2	0	0	111.3	I51 V62 Q63 R68 L69 C70 I87 I94 I95	I51-M66 HydrophobicContact CB-CG 4.4Å; I51-M66 HydrophobicContact CD1-CG 3.78Å; I51-M66 HydrophobicContact CD1-SD 4.26Å; I51-M66 HydrophobicContact CG1-CG 3.91Å; I51-M66 HydrophobicContact CG2-CG 3.56Å; V62-M66 HydrophobicContact CG1-CE 4.25Å; V62-M66 WeakPolarHBondContact O-CG 3.49Å; V62-M66 PolarHBondContact O-N 2.95Å; Q63-M66 PolarHBondContact O-N 3.05Å; Q63-M66 VanDerWaalsContact O-N 3.16Å; M66-R68 VanDerWaalsContact C-N 3.28Å; M66-R68 PolarHBondContact O-N 3.32Å; M66-L69 PolarHBondContact O-N 3.26Å; M66-C70 PolarHBondContact O-N 3.49Å; M66-C70 PolarHBondContact O-SG 3.02Å; M66-I87 HydrophobicContact CB-CD1 3.56Å; M66-I87 HydrophobicContact CB-CG1 3.9Å; M66-I87 HydrophobicContact CE-CG2 4.28Å; M66-I87 WeakPolarHBondContact O-CD1 3.23Å; M66-I87 HydrophobicContact SD-CG1 4.38Å; M66-I94 HydrophobicContact SD-CB 4.5Å; M66-I94 HydrophobicContact SD-CG2 4.24Å; M66-I95 HydrophobicContact CE-CD1 3.68Å; M66-I95 HydrophobicContact CE-CG1 3.67Å
67	E	96.5	Very high	92.6	Very high	84 Å²	84	56.7 Å²	56.7	39%	0.393	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-39.5	176.7	-72.1	171.7	-165.5	0	0	112	Q63 S71 Y84	Q63-E67 VanDerWaalsContact CG-OE1 3.31Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.49Å; Q63-E67 PolarHBondContact NE2-OE1 3.45Å; Q63-E67 WeakPolarHBondContact O-CG 3.48Å; Q63-E67 PolarHBondContact O-N 3.3Å; E67-S71 WeakPolarHBondContact O-CB 3.31Å; E67-S71 PolarHBondContact O-N 3.22Å; E67-Y84 PolarHBondContact O-OH 3.27Å
68	R	96.9	Very high	91.6	Very high	57 Å²	57	60.6 Å²	60.6	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-46.7	172.8	-179.4	-177	-67.6	120.6	-3.8	112.3	H58 S60 A64 M66 C70 S71 Y72	H58-R68 VanDerWaalsContact CB-NH1 3.28Å; H58-R68 PolarHBondContact CD2-NH1 3.35Å; H58-R68 VanDerWaalsContact CG-CZ 3.46Å; S60-R68 PolarHBondContact OG-NH1 2.98Å; A64-R68 WeakPolarHBondContact O-CB 3.26Å; A64-R68 PolarHBondContact O-N 3.34Å; M66-R68 VanDerWaalsContact C-N 3.28Å; M66-R68 PolarHBondContact O-N 3.32Å; R68-C70 VanDerWaalsContact C-N 3.32Å; R68-C70 PolarHBondContact O-N 3.29Å; R68-S71 PolarHBondContact O-N 2.69Å; R68-S71 PolarHBondContact O-OG 2.74Å; R68-Y72 WeakPolarHBondContact CD-OH 3.46Å; R68-Y72 HydrophobicContact CG-CD2 4.37Å; R68-Y72 HydrophobicContact CG-CE1 3.96Å; R68-Y72 HydrophobicContact CG-CE2 3.7Å; R68-Y72 VanDerWaalsContact CG-CZ 3.48Å; R68-Y72 PolarHBondContact O-N 3.01Å
69	L	94.6	Very high	90.6	Very high	19 Å²	19	57 Å²	57	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-46.4	177.5	179.2	58.5	0	0	0	111.1	V50 I51 L54 S65 M66 S71 Y72 M280 F285	V50-L69 HydrophobicContact CG1-CD1 4.06Å; V50-L69 HydrophobicContact CG1-CD2 4.19Å; I51-L69 HydrophobicContact CG1-CD2 3.94Å; L54-L69 HydrophobicContact CD1-CB 3.86Å; L54-L69 HydrophobicContact CD1-CD1 4.18Å; L54-L69 HydrophobicContact CD1-CG 4.46Å; S65-L69 WeakPolarHBondContact O-CB 3.23Å; S65-L69 PolarHBondContact O-N 3.01Å; M66-L69 PolarHBondContact O-N 3.26Å; L69-S71 PolarHBondContact O-N 2.95Å; L69-Y72 PolarHBondContact O-N 2.91Å; L69-M280 HydrophobicContact CD1-SD 3.71Å; L69-F285 HydrophobicContact CD1-CZ 4.22Å
70	C	91.3	Very high	89.9	Confident	1 Å²	1	52 Å²	52	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-68.3	-33	177.5	-58.7	0	0	0	0	113.1	M66 R68 Y72 L73 K80 C83 Y84 I87	M66-C70 PolarHBondContact O-N 3.49Å; M66-C70 PolarHBondContact O-SG 3.02Å; R68-C70 VanDerWaalsContact C-N 3.32Å; R68-C70 PolarHBondContact O-N 3.29Å; C70-Y72 PolarHBondContact O-N 2.73Å; C70-L73 PolarHBondContact O-N 2.92Å; C70-K80 WeakPolarHBondContact O-CD 3.48Å; C70-K80 VanDerWaalsContact O-CG 3.29Å; C70-K80 WeakPolarHBondContact O-CG 3.48Å; C70-C83 WeakPolarHBondContact CA-SG 3.49Å; C70-C83 HydrophobicContact CB-CB 3.69Å; C70-C83 WeakPolarHBondContact CB-SG 3.35Å; C70-C83 WeakPolarHBondContact SG-CB 3.27Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 3.37Å; C70-Y84 HydrophobicContact CB-CD1 4.1Å; C70-Y84 HydrophobicContact CB-CD2 3.87Å; C70-Y84 HydrophobicContact CB-CE1 3.83Å; C70-Y84 HydrophobicContact CB-CE2 3.59Å; C70-Y84 HydrophobicContact CB-CG 4.11Å; C70-I87 HydrophobicContact CB-CD1 4.38Å; C70-I87 WeakPolarHBondContact SG-CD1 3.42Å
71	S	96.6	Very high	89	Confident	48 Å²	48	53.6 Å²	53.6	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-68	-24.2	177.9	79.9	0	0	0	0	113.3	E67 R68 L69	E67-S71 WeakPolarHBondContact O-CB 3.31Å; E67-S71 PolarHBondContact O-N 3.22Å; R68-S71 PolarHBondContact O-N 2.69Å; R68-S71 PolarHBondContact O-OG 2.74Å; L69-S71 PolarHBondContact O-N 2.95Å
72	Y	96.1	Very high	87.8	Confident	40 Å²	40	49.1 Å²	49.1	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-78.3	-19.7	173.9	-63.1	-19.4	0	0	0	114.2	R68 L69 C70 M280 L282 F285	R68-Y72 WeakPolarHBondContact CD-OH 3.46Å; R68-Y72 HydrophobicContact CG-CD2 4.37Å; R68-Y72 HydrophobicContact CG-CE1 3.96Å; R68-Y72 HydrophobicContact CG-CE2 3.7Å; R68-Y72 VanDerWaalsContact CG-CZ 3.48Å; R68-Y72 PolarHBondContact O-N 3.01Å; L69-Y72 PolarHBondContact O-N 2.91Å; C70-Y72 PolarHBondContact O-N 2.73Å; Y72-M280 HydrophobicContact CD2-CG 3.82Å; Y72-M280 HydrophobicContact CD2-SD 4.3Å; Y72-M280 HydrophobicContact CE2-CB 4.4Å; Y72-M280 HydrophobicContact CE2-CG 4.03Å; Y72-M280 VanDerWaalsContact CE2-O 3.3Å; Y72-M280 WeakPolarHBondContact CE2-O 3.49Å; Y72-M280 PolarHBondContact OH-O 2.98Å; Y72-L282 HydrophobicContact CD1-CB 4.34Å; Y72-F285 HydrophobicContact CD2-CE2 4.43Å
73	L	87.3	Confident	87.1	Confident	23 Å²	23	49 Å²	49	12%	0.12	24%	0.242	C	C	.	.	S	Bend	trans	-77	146.6	-178.1	-68.9	174.3	0	0	0	112.2	C70 L79 K80 C83 F285 L288	C70-L73 PolarHBondContact O-N 2.92Å; L73-L79 HydrophobicContact CB-CB 4.43Å; L73-K80 HydrophobicContact CB-CB 4.14Å; L73-K80 WeakPolarHBondContact O-CD 3.48Å; L73-C83 HydrophobicContact CD1-CB 3.52Å; L73-F285 HydrophobicContact CD2-CB 4.31Å; L73-F285 HydrophobicContact CD2-CD1 3.79Å; L73-F285 HydrophobicContact CD2-CD2 4.33Å; L73-F285 HydrophobicContact CD2-CE1 4.1Å; L73-F285 HydrophobicContact CD2-CG 3.9Å; L73-F285 HydrophobicContact CD2-CZ 4.5Å; L73-L288 HydrophobicContact CD2-CD2 3.94Å
74	P	86.9	Confident	86.4	Confident	27 Å²	27	48.4 Å²	48.4	18%	0.175	24%	0.236	C	C	.	.			trans	-68.1	152.1	174.4	-22.9	35.4	0	0	0	113.7	K76 K80 F285 P289	P74-K76 VanDerWaalsContact C-N 3.26Å; P74-K76 HydrophobicContact CB-CB 4.35Å; P74-K80 WeakPolarHBondContact O-CB 3.29Å; P74-K80 PolarHBondContact O-N 3.43Å; P74-K80 VanDerWaalsContact O-N 3.07Å; P74-F285 HydrophobicContact CG-CB 4.44Å; P74-F285 VanDerWaalsContact CG-O 3.23Å; P74-F285 WeakPolarHBondContact CG-O 3.27Å; P74-P289 HydrophobicContact CB-CG 3.91Å; P74-P289 HydrophobicContact CG-CG 3.81Å
75	E	83.6	Confident	85.4	Confident	112 Å²	112	49.5 Å²	49.5	52%	0.523	24%	0.237	S	C	.	.	S	Bend	trans	-70.8	-23.9	167.1	-54.4	-63.5	174.5	0	0	112.1	F78 K80	E75-F78 WeakPolarHBondContact O-CA 3.39Å; E75-F78 PolarHBondContact O-N 2.93Å; E75-K80 VanDerWaalsContact OE1-CD 3.29Å; E75-K80 WeakPolarHBondContact OE1-CD 3.2Å; E75-K80 VanDerWaalsContact OE1-CE 3.26Å; E75-K80 WeakPolarHBondContact OE1-CE 3.4Å; E75-K80 IonicContact OE1-NZ 2.7Å; E75-K80 PolarHBondContact OE1-NZ 3.25Å
76	K	77.8	Confident	84.4	Confident	155 Å²	155	51.7 Å²	51.7	67%	0.674	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-59	139.7	176.3	-67.9	-177.2	-179	175.9	0	110.1	P74 F78 L79 P289	P74-K76 VanDerWaalsContact C-N 3.26Å; P74-K76 HydrophobicContact CB-CB 4.35Å; K76-F78 PolarHBondContact O-N 3.39Å; K76-L79 WeakPolarHBondContact O-CG 3.44Å; K76-L79 PolarHBondContact O-N 3.41Å; K76-P289 HydrophobicContact CB-CB 4.05Å; K76-P289 HydrophobicContact CB-CG 3.91Å; K76-P289 HydrophobicContact CD-CG 4.48Å
77	L	71.6	Confident	83.8	Confident	59 Å²	59	53.2 Å²	53.2	31%	0.309	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	56.9	22.5	-173.9	-49.2	174.3	0	0	0	113.7	L79 P289 L292 T293	L77-L79 HydrophobicContact CB-CG 4.17Å; L77-L79 PolarHBondContact O-N 2.9Å; L77-L79 VanDerWaalsContact O-N 3.12Å; L77-P289 HydrophobicContact CD1-CB 3.88Å; L77-P289 HydrophobicContact CG-CB 4.26Å; L77-L292 HydrophobicContact CD1-CB 4.11Å; L77-L292 HydrophobicContact CD1-CD1 4.26Å; L77-T293 HydrophobicContact CD1-CG2 3.99Å; L77-T293 HydrophobicContact CD2-CG2 4.24Å
78	F	77.5	Confident	82.9	Confident	134 Å²	134	55.8 Å²	55.8	59%	0.588	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	59.1	16.3	-179.1	-51	-80.3	0	0	0	115	E75 K76 K80 T81 T82	E75-F78 WeakPolarHBondContact O-CA 3.39Å; E75-F78 PolarHBondContact O-N 2.93Å; K76-F78 PolarHBondContact O-N 3.39Å; F78-K80 VanDerWaalsContact C-N 3.35Å; F78-K80 PolarHBondContact O-N 2.97Å; F78-T81 PolarHBondContact O-N 2.77Å; F78-T81 VanDerWaalsContact O-N 3.11Å; F78-T82 WeakPolarHBondContact O-CB 3.12Å; F78-T82 PolarHBondContact O-N 3.18Å; F78-T82 PolarHBondContact O-OG1 3.39Å
79	L	74.8	Confident	82	Confident	1 Å²	1	57 Å²	57	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-44.2	-170	-64	168	0	0	0	112.9	L73 K76 L77 T82 C83 L288 P289 L292	L73-L79 HydrophobicContact CB-CB 4.43Å; K76-L79 WeakPolarHBondContact O-CG 3.44Å; K76-L79 PolarHBondContact O-N 3.41Å; L77-L79 HydrophobicContact CB-CG 4.17Å; L77-L79 PolarHBondContact O-N 2.9Å; L77-L79 VanDerWaalsContact O-N 3.12Å; L79-T82 WeakPolarHBondContact O-CB 3.39Å; L79-T82 PolarHBondContact O-N 3.09Å; L79-C83 WeakPolarHBondContact O-CB 3.45Å; L79-C83 PolarHBondContact O-N 3.09Å; L79-L288 HydrophobicContact CD1-CD2 3.88Å; L79-L288 HydrophobicContact CD1-CG 4.11Å; L79-P289 HydrophobicContact CD1-CG 4.09Å; L79-L292 HydrophobicContact CD1-CD1 4.16Å; L79-L292 HydrophobicContact CD2-CD1 3.71Å
80	K	82.9	Confident	81.4	Confident	53 Å²	53	57 Å²	57	23%	0.23	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-46.4	175.2	178.8	157.9	161.7	-148.7	0	113.1	C70 L73 P74 E75 F78 T82 C83 Y84	C70-K80 WeakPolarHBondContact O-CD 3.48Å; C70-K80 VanDerWaalsContact O-CG 3.29Å; C70-K80 WeakPolarHBondContact O-CG 3.48Å; L73-K80 HydrophobicContact CB-CB 4.14Å; L73-K80 WeakPolarHBondContact O-CD 3.48Å; P74-K80 WeakPolarHBondContact O-CB 3.29Å; P74-K80 PolarHBondContact O-N 3.43Å; P74-K80 VanDerWaalsContact O-N 3.07Å; E75-K80 VanDerWaalsContact OE1-CD 3.29Å; E75-K80 WeakPolarHBondContact OE1-CD 3.2Å; E75-K80 VanDerWaalsContact OE1-CE 3.26Å; E75-K80 WeakPolarHBondContact OE1-CE 3.4Å; E75-K80 IonicContact OE1-NZ 2.7Å; E75-K80 PolarHBondContact OE1-NZ 3.25Å; F78-K80 VanDerWaalsContact C-N 3.35Å; F78-K80 PolarHBondContact O-N 2.97Å; K80-T82 VanDerWaalsContact C-N 3.32Å; K80-T82 PolarHBondContact O-N 3.13Å; K80-C83 WeakPolarHBondContact O-CB 3.29Å; K80-C83 PolarHBondContact O-N 3.1Å; K80-Y84 HydrophobicContact CD-CE2 4.34Å; K80-Y84 HydrophobicContact CG-CD2 3.98Å; K80-Y84 HydrophobicContact CG-CE2 3.72Å; K80-Y84 VanDerWaalsContact O-CD2 3.29Å; K80-Y84 WeakPolarHBondContact O-CD2 3.3Å; K80-Y84 PolarHBondContact O-N 2.85Å; K80-Y84 VanDerWaalsContact O-N 3.08Å
81	T	76.6	Confident	81.2	Confident	63 Å²	63	57 Å²	57	39%	0.387	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-42.2	175	-42.2	0	0	0	0	111.7	F78 C83 Y84 L85	F78-T81 PolarHBondContact O-N 2.77Å; F78-T81 VanDerWaalsContact O-N 3.11Å; T81-C83 VanDerWaalsContact C-N 3.34Å; T81-C83 PolarHBondContact O-N 3.03Å; T81-Y84 PolarHBondContact O-N 3.42Å; T81-L85 HydrophobicContact CG2-CD1 4.16Å; T81-L85 WeakPolarHBondContact O-CG 3.47Å; T81-L85 PolarHBondContact O-N 3.3Å; T81-L85 VanDerWaalsContact O-N 3.09Å
82	T	72.1	Confident	80.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-48.1	173.5	-57.8	0	0	0	0	111.3	P12 L16 F78 L79 K80 L85 V86	P12-T82 HydrophobicContact CB-CG2 3.92Å; P12-T82 WeakPolarHBondContact CB-OG1 3.29Å; P12-T82 VanDerWaalsContact O-CG2 3.3Å; P12-T82 WeakPolarHBondContact O-CG2 3.49Å; L16-T82 HydrophobicContact CD1-CG2 3.9Å; F78-T82 WeakPolarHBondContact O-CB 3.12Å; F78-T82 PolarHBondContact O-N 3.18Å; F78-T82 PolarHBondContact O-OG1 3.39Å; L79-T82 WeakPolarHBondContact O-CB 3.39Å; L79-T82 PolarHBondContact O-N 3.09Å; K80-T82 VanDerWaalsContact C-N 3.32Å; K80-T82 PolarHBondContact O-N 3.13Å; T82-L85 PolarHBondContact O-N 3.04Å; T82-V86 WeakPolarHBondContact O-CG2 3.31Å; T82-V86 PolarHBondContact O-N 3.16Å
83	C	81.4	Confident	80.7	Confident	16 Å²	16	55.7 Å²	55.7	11%	0.108	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-47.4	-178.8	-173.7	0	0	0	0	111.8	C70 L73 L79 K80 T81 L85 V86 I87	C70-C83 WeakPolarHBondContact CA-SG 3.49Å; C70-C83 HydrophobicContact CB-CB 3.69Å; C70-C83 WeakPolarHBondContact CB-SG 3.35Å; C70-C83 WeakPolarHBondContact SG-CB 3.27Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 3.37Å; L73-C83 HydrophobicContact CD1-CB 3.52Å; L79-C83 WeakPolarHBondContact O-CB 3.45Å; L79-C83 PolarHBondContact O-N 3.09Å; K80-C83 WeakPolarHBondContact O-CB 3.29Å; K80-C83 PolarHBondContact O-N 3.1Å; T81-C83 VanDerWaalsContact C-N 3.34Å; T81-C83 PolarHBondContact O-N 3.03Å; C83-L85 VanDerWaalsContact C-N 3.31Å; C83-L85 PolarHBondContact O-N 3.45Å; C83-V86 WeakPolarHBondContact O-CB 3.34Å; C83-V86 PolarHBondContact O-N 3.03Å; C83-V86 VanDerWaalsContact O-N 3.09Å; C83-I87 PolarHBondContact O-N 3.13Å
84	Y	82.1	Confident	80.9	Confident	89 Å²	89	55.2 Å²	55.2	35%	0.349	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-34.7	175.9	-76.4	-68.4	0	0	0	113.2	E67 C70 K80 T81 V86 I87 D88	E67-Y84 PolarHBondContact O-OH 3.27Å; C70-Y84 HydrophobicContact CB-CD1 4.1Å; C70-Y84 HydrophobicContact CB-CD2 3.87Å; C70-Y84 HydrophobicContact CB-CE1 3.83Å; C70-Y84 HydrophobicContact CB-CE2 3.59Å; C70-Y84 HydrophobicContact CB-CG 4.11Å; K80-Y84 HydrophobicContact CD-CE2 4.34Å; K80-Y84 HydrophobicContact CG-CD2 3.98Å; K80-Y84 HydrophobicContact CG-CE2 3.72Å; K80-Y84 VanDerWaalsContact O-CD2 3.29Å; K80-Y84 WeakPolarHBondContact O-CD2 3.3Å; K80-Y84 PolarHBondContact O-N 2.85Å; K80-Y84 VanDerWaalsContact O-N 3.08Å; T81-Y84 PolarHBondContact O-N 3.42Å; Y84-V86 VanDerWaalsContact C-N 3.33Å; Y84-I87 HydrophobicContact CD1-CD1 4.15Å; Y84-I87 HydrophobicContact CE1-CD1 4.47Å; Y84-I87 WeakPolarHBondContact O-CB 3.4Å; Y84-I87 PolarHBondContact O-N 3.48Å; Y84-D88 PolarHBondContact O-N 2.92Å
85	L	75.4	Confident	81.3	Confident	55 Å²	55	56.2 Å²	56.2	29%	0.288	28%	0.278	S	S	.	.	H	α-helix	trans	-71.2	-27.1	174.4	-73.4	164.6	0	0	0	113	P12 T81 T82 C83 K89	P12-L85 HydrophobicContact CG-CB 4.43Å; P12-L85 HydrophobicContact CG-CD1 3.29Å; P12-L85 HydrophobicContact CG-CG 4.47Å; T81-L85 HydrophobicContact CG2-CD1 4.16Å; T81-L85 WeakPolarHBondContact O-CG 3.47Å; T81-L85 PolarHBondContact O-N 3.3Å; T81-L85 VanDerWaalsContact O-N 3.09Å; T82-L85 PolarHBondContact O-N 3.04Å; C83-L85 VanDerWaalsContact C-N 3.31Å; C83-L85 PolarHBondContact O-N 3.45Å; L85-K89 VanDerWaalsContact O-CB 3.28Å; L85-K89 WeakPolarHBondContact O-CB 3.46Å; L85-K89 PolarHBondContact O-N 2.95Å; L85-K89 VanDerWaalsContact O-N 3.13Å
86	V	76.1	Confident	81.8	Confident	46 Å²	46	54.8 Å²	54.8	28%	0.279	27%	0.27	S	S	.	.	H	α-helix	trans	-71.4	-38.9	168.7	171.3	0	0	0	0	111	L13 T82 C83 Y84 K89 F90	L13-V86 HydrophobicContact CD1-CG2 3.96Å; T82-V86 WeakPolarHBondContact O-CG2 3.31Å; T82-V86 PolarHBondContact O-N 3.16Å; C83-V86 WeakPolarHBondContact O-CB 3.34Å; C83-V86 PolarHBondContact O-N 3.03Å; C83-V86 VanDerWaalsContact O-N 3.09Å; Y84-V86 VanDerWaalsContact C-N 3.33Å; V86-K89 PolarHBondContact O-N 3.45Å; V86-F90 HydrophobicContact CG1-CD2 4.13Å; V86-F90 PolarHBondContact O-N 2.86Å
87	I	81.2	Confident	82.6	Confident	34 Å²	34	47.4 Å²	47.4	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-50.8	172.5	-64.7	177.2	0	0	0	110.9	M66 C70 C83 Y84 K89 F90 G91	M66-I87 HydrophobicContact CB-CD1 3.56Å; M66-I87 HydrophobicContact CB-CG1 3.9Å; M66-I87 HydrophobicContact CE-CG2 4.28Å; M66-I87 WeakPolarHBondContact O-CD1 3.23Å; M66-I87 HydrophobicContact SD-CG1 4.38Å; C70-I87 HydrophobicContact CB-CD1 4.38Å; C70-I87 WeakPolarHBondContact SG-CD1 3.42Å; C83-I87 PolarHBondContact O-N 3.13Å; Y84-I87 HydrophobicContact CD1-CD1 4.15Å; Y84-I87 HydrophobicContact CE1-CD1 4.47Å; Y84-I87 WeakPolarHBondContact O-CB 3.4Å; Y84-I87 PolarHBondContact O-N 3.48Å; I87-K89 PolarHBondContact O-N 3.38Å; I87-F90 PolarHBondContact O-N 3.23Å; I87-G91 VanDerWaalsContact O-CA 3.23Å; I87-G91 WeakPolarHBondContact O-CA 3.41Å; I87-G91 PolarHBondContact O-N 3.11Å
88	D	77.9	Confident	83.7	Confident	138 Å²	138	45.4 Å²	45.4	74%	0.738	23%	0.228	S	C	*	.	H	α-helix	trans	-56.4	-41.9	179.3	-176.5	56.8	0	0	0	111.1	Y84	Y84-D88 PolarHBondContact O-N 2.92Å
89	K	77.9	Confident	84.5	Confident	84 Å²	84	43.2 Å²	43.2	37%	0.365	23%	0.229	S	C	.	.	H	α-helix	trans	-79.9	-29.6	-178.1	-171.6	170.1	178.2	179.5	0	115.6	L85 V86 I87 I149	L85-K89 VanDerWaalsContact O-CB 3.28Å; L85-K89 WeakPolarHBondContact O-CB 3.46Å; L85-K89 PolarHBondContact O-N 2.95Å; L85-K89 VanDerWaalsContact O-N 3.13Å; V86-K89 PolarHBondContact O-N 3.45Å; I87-K89 PolarHBondContact O-N 3.38Å; K89-I149 WeakPolarHBondContact O-CD1 3.1Å; K89-I149 VanDerWaalsContact O-CG1 3.26Å; K89-I149 WeakPolarHBondContact O-CG1 3.47Å
90	F	82.3	Confident	85.3	Confident	19 Å²	19	44.6 Å²	44.6	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-130.7	-16.9	-172.1	-60.9	-78.8	0	0	0	114.7	V86 I87 S92 D93 I94 F113 I149	V86-F90 HydrophobicContact CG1-CD2 4.13Å; V86-F90 PolarHBondContact O-N 2.86Å; I87-F90 PolarHBondContact O-N 3.23Å; F90-S92 PolarHBondContact O-N 3.24Å; F90-D93 PolarHBondContact O-N 3.19Å; F90-I94 HydrophobicContact CB-CD1 4Å; F90-I94 WeakPolarHBondContact O-CG1 3.38Å; F90-I94 PolarHBondContact O-N 3.49Å; F90-F113 HydrophobicContact CD1-CE2 4.13Å; F90-F113 HydrophobicContact CD1-CZ 4.1Å; F90-F113 HydrophobicContact CD2-CZ 4.4Å; F90-F113 HydrophobicContact CE1-CE2 4.01Å; F90-F113 AromaticContact CE1-CZ 3.64Å; F90-F113 HydrophobicContact CE1-CZ 3.64Å; F90-F113 AromaticContact CE2-CZ 3.97Å; F90-F113 HydrophobicContact CE2-CZ 3.97Å; F90-F113 HydrophobicContact CG-CZ 4.46Å; F90-F113 HydrophobicContact CZ-CE1 4.37Å; F90-F113 HydrophobicContact CZ-CE2 4.37Å; F90-F113 AromaticContact CZ-CZ 3.56Å; F90-F113 HydrophobicContact CZ-CZ 3.56Å; F90-I149 HydrophobicContact CD1-CG2 3.96Å; F90-I149 HydrophobicContact CE1-CG2 3.76Å
91	G	86.4	Confident	85.7	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-40.3	-171.2	0	0	0	0	0	113.9	I87 D93 I94 I95	I87-G91 VanDerWaalsContact O-CA 3.23Å; I87-G91 WeakPolarHBondContact O-CA 3.41Å; I87-G91 PolarHBondContact O-N 3.11Å; G91-D93 PolarHBondContact O-N 2.87Å; G91-I94 PolarHBondContact O-N 3.03Å; G91-I95 WeakPolarHBondContact O-CB 3.38Å; G91-I95 WeakPolarHBondContact O-CD1 3.36Å; G91-I95 WeakPolarHBondContact O-CG1 3.46Å; G91-I95 PolarHBondContact O-N 2.98Å
92	S	91.4	Very high	86.5	Confident	58 Å²	58	47 Å²	47	41%	0.406	25%	0.253	S	S	.	.	H	α-helix	trans	-54	-40.6	175.2	139.3	0	0	0	0	112.6	F90 K96	F90-S92 PolarHBondContact O-N 3.24Å; S92-K96 WeakPolarHBondContact O-CD 3.42Å; S92-K96 VanDerWaalsContact O-CE 3.31Å; S92-K96 WeakPolarHBondContact O-CE 3.46Å; S92-K96 VanDerWaalsContact O-CG 3.27Å; S92-K96 WeakPolarHBondContact O-CG 3.3Å; S92-K96 PolarHBondContact O-N 3.06Å; S92-K96 WeakPolarHBondContact OG-CE 3.26Å; S92-K96 PolarHBondContact OG-NZ 2.96Å
93	D	90.8	Very high	87.5	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.011	26%	0.262	C	S	.	.	H	α-helix	trans	-85.9	-34.7	-175.8	-70.1	-9.4	0	0	0	111.5	F90 G91 I95 K96 L97 L111 V144 S147 I149	F90-D93 PolarHBondContact O-N 3.19Å; G91-D93 PolarHBondContact O-N 2.87Å; D93-I95 VanDerWaalsContact C-N 3.34Å; D93-I95 PolarHBondContact O-N 3.49Å; D93-K96 PolarHBondContact O-N 3.1Å; D93-K96 IonicContact OD1-NZ 2.87Å; D93-K96 PolarHBondContact OD1-NZ 3.37Å; D93-L97 WeakPolarHBondContact O-CB 3.47Å; D93-L97 WeakPolarHBondContact O-CD1 3.32Å; D93-L97 WeakPolarHBondContact O-CG 3.47Å; D93-L97 PolarHBondContact O-N 3.03Å; D93-L111 HydrophobicContact CB-CD2 4.03Å; D93-V144 HydrophobicContact CB-CG1 3.75Å; D93-S147 WeakPolarHBondContact OD2-CB 2.98Å; D93-S147 PolarHBondContact OD2-OG 2.93Å; D93-I149 WeakPolarHBondContact OD2-CD1 3.33Å
94	I	92.3	Very high	88.2	Confident	12 Å²	12	47.8 Å²	47.8	6%	0.062	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-45.8	169.3	-66.4	169.3	0	0	0	110.5	V62 M66 F90 G91 L97 L98 V107 L111	V62-I94 HydrophobicContact CG1-CG2 4.2Å; M66-I94 HydrophobicContact SD-CB 4.5Å; M66-I94 HydrophobicContact SD-CG2 4.24Å; F90-I94 HydrophobicContact CB-CD1 4Å; F90-I94 WeakPolarHBondContact O-CG1 3.38Å; F90-I94 PolarHBondContact O-N 3.49Å; G91-I94 PolarHBondContact O-N 3.03Å; I94-L97 PolarHBondContact O-N 3.46Å; I94-L98 HydrophobicContact CG2-CD1 3.73Å; I94-L98 HydrophobicContact CG2-CG 4.3Å; I94-L98 WeakPolarHBondContact O-CB 3.47Å; I94-L98 WeakPolarHBondContact O-CG 3.27Å; I94-L98 PolarHBondContact O-N 3.37Å; I94-V107 HydrophobicContact CG1-CG1 4.39Å; I94-L111 HydrophobicContact CG1-CD1 3.91Å
95	I	95.1	Very high	88.7	Confident	48 Å²	48	43.6 Å²	43.6	25%	0.246	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-53.4	175.8	-69.5	159.9	0	0	0	110.6	V62 Q63 M66 G91 D93 L97 L98 S99	V62-I95 HydrophobicContact CB-CG1 4.03Å; V62-I95 HydrophobicContact CG1-CB 4.44Å; V62-I95 HydrophobicContact CG1-CG1 3.75Å; Q63-I95 HydrophobicContact CB-CD1 3.85Å; Q63-I95 HydrophobicContact CG-CD1 4.41Å; M66-I95 HydrophobicContact CE-CD1 3.68Å; M66-I95 HydrophobicContact CE-CG1 3.67Å; G91-I95 WeakPolarHBondContact O-CB 3.38Å; G91-I95 WeakPolarHBondContact O-CD1 3.36Å; G91-I95 WeakPolarHBondContact O-CG1 3.46Å; G91-I95 PolarHBondContact O-N 2.98Å; D93-I95 VanDerWaalsContact C-N 3.34Å; D93-I95 PolarHBondContact O-N 3.49Å; I95-L97 VanDerWaalsContact C-N 3.28Å; I95-L97 PolarHBondContact O-N 2.78Å; I95-L98 PolarHBondContact O-N 3.2Å; I95-S99 VanDerWaalsContact O-CB 3.24Å; I95-S99 WeakPolarHBondContact O-CB 3.43Å; I95-S99 PolarHBondContact O-N 2.94Å; I95-S99 PolarHBondContact O-OG 3.05Å
96	K	94.8	Very high	89.6	Confident	82 Å²	82	41 Å²	41	36%	0.357	23%	0.227	S	C	.	.	H	α-helix	trans	-61.5	-35.1	-177.9	-67.8	165.1	-155	156.1	0	113.2	S92 D93 A100 I143	S92-K96 WeakPolarHBondContact O-CD 3.42Å; S92-K96 VanDerWaalsContact O-CE 3.31Å; S92-K96 WeakPolarHBondContact O-CE 3.46Å; S92-K96 VanDerWaalsContact O-CG 3.27Å; S92-K96 WeakPolarHBondContact O-CG 3.3Å; S92-K96 PolarHBondContact O-N 3.06Å; S92-K96 WeakPolarHBondContact OG-CE 3.26Å; S92-K96 PolarHBondContact OG-NZ 2.96Å; D93-K96 PolarHBondContact O-N 3.1Å; D93-K96 IonicContact OD1-NZ 2.87Å; D93-K96 PolarHBondContact OD1-NZ 3.37Å; K96-A100 WeakPolarHBondContact O-CB 3.48Å; K96-A100 PolarHBondContact O-N 3.29Å; K96-I143 HydrophobicContact CB-CG2 3.67Å
97	L	95	Very high	90.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-77	-47.6	-178.6	-68.9	169.4	0	0	0	111.4	D93 I94 I95 S99 A100 M102 V107 T110 L111 A140 I143 V144	D93-L97 WeakPolarHBondContact O-CB 3.47Å; D93-L97 WeakPolarHBondContact O-CD1 3.32Å; D93-L97 WeakPolarHBondContact O-CG 3.47Å; D93-L97 PolarHBondContact O-N 3.03Å; I94-L97 PolarHBondContact O-N 3.46Å; I95-L97 VanDerWaalsContact C-N 3.28Å; I95-L97 PolarHBondContact O-N 2.78Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 2.81Å; L97-A100 CarbonylContact O-C 3.23Å; L97-A100 WeakPolarHBondContact O-CA 3.34Å; L97-A100 PolarHBondContact O-N 3.16Å; L97-M102 HydrophobicContact CB-CB 4.31Å; L97-M102 HydrophobicContact CB-CG 4.5Å; L97-M102 HydrophobicContact CD2-CG 4.33Å; L97-M102 VanDerWaalsContact O-CB 3.26Å; L97-M102 WeakPolarHBondContact O-CB 3.38Å; L97-M102 VanDerWaalsContact O-CG 3.31Å; L97-M102 WeakPolarHBondContact O-CG 3.2Å; L97-M102 PolarHBondContact O-N 3.48Å; L97-V107 HydrophobicContact CB-CG2 3.85Å; L97-V107 HydrophobicContact CD1-CB 4.48Å; L97-V107 HydrophobicContact CD1-CG1 4.06Å; L97-V107 HydrophobicContact CD1-CG2 4.45Å; L97-T110 HydrophobicContact CD1-CG2 3.95Å; L97-T110 HydrophobicContact CD2-CG2 4.16Å; L97-L111 HydrophobicContact CD1-CD2 4.44Å; L97-L111 HydrophobicContact CD1-CG 4.39Å; L97-A140 HydrophobicContact CD2-CB 3.75Å; L97-I143 HydrophobicContact CD2-CB 4.46Å; L97-I143 HydrophobicContact CD2-CG2 4.38Å; L97-V144 HydrophobicContact CD1-CG1 3.94Å; L97-V144 HydrophobicContact CD2-CG1 4.08Å; L97-V144 HydrophobicContact CG-CG1 3.89Å
98	L	94.7	Very high	90.9	Very high	18 Å²	18	37.2 Å²	37.2	9%	0.094	21%	0.205	C	C	.	.	H	α-helix	trans	-64.5	-37	175.8	-71.3	178	0	0	0	111.9	V48 I51 E52 V62 I94 I95 A100 D101 M102 V107	V48-L98 HydrophobicContact CG1-CD1 4.35Å; V48-L98 HydrophobicContact CG1-CD2 4.04Å; V48-L98 HydrophobicContact CG1-CG 4.47Å; I51-L98 HydrophobicContact CG2-CD1 4.16Å; E52-L98 HydrophobicContact CB-CD1 4.46Å; E52-L98 HydrophobicContact CB-CD2 4.24Å; E52-L98 HydrophobicContact CG-CD2 4.15Å; V62-L98 HydrophobicContact CG1-CD1 3.73Å; V62-L98 HydrophobicContact CG2-CB 3.86Å; V62-L98 HydrophobicContact CG2-CD1 4.02Å; I94-L98 HydrophobicContact CG2-CD1 3.73Å; I94-L98 HydrophobicContact CG2-CG 4.3Å; I94-L98 WeakPolarHBondContact O-CB 3.47Å; I94-L98 WeakPolarHBondContact O-CG 3.27Å; I94-L98 PolarHBondContact O-N 3.37Å; I95-L98 PolarHBondContact O-N 3.2Å; L98-A100 PolarHBondContact O-N 2.83Å; L98-A100 VanDerWaalsContact O-N 3.15Å; L98-D101 PolarHBondContact O-N 3.49Å; L98-M102 WeakPolarHBondContact CD2-O 3.29Å; L98-V107 HydrophobicContact CD2-CG2 4.27Å
99	S	93.3	Very high	91.6	Very high	88 Å²	88	31 Å²	31	62%	0.615	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-2.5	171.9	-61.1	0	0	0	0	114.6	I95 L97	I95-S99 VanDerWaalsContact O-CB 3.24Å; I95-S99 WeakPolarHBondContact O-CB 3.43Å; I95-S99 PolarHBondContact O-N 2.94Å; I95-S99 PolarHBondContact O-OG 3.05Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 2.81Å
100	A	92.4	Very high	92.2	Very high	29 Å²	29	27 Å²	27	24%	0.24	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	23.3	173.6	0	0	0	0	0	112.1	K96 L97 L98 M102 I143	K96-A100 WeakPolarHBondContact O-CB 3.48Å; K96-A100 PolarHBondContact O-N 3.29Å; L97-A100 CarbonylContact O-C 3.23Å; L97-A100 WeakPolarHBondContact O-CA 3.34Å; L97-A100 PolarHBondContact O-N 3.16Å; L98-A100 PolarHBondContact O-N 2.83Å; L98-A100 VanDerWaalsContact O-N 3.15Å; A100-M102 HydrophobicContact CB-CE 4.34Å; A100-M102 HydrophobicContact CB-CG 4.34Å; A100-M102 PolarHBondContact O-N 3.47Å; A100-I143 HydrophobicContact CB-CD1 3.66Å
101	D	90.5	Very high	92.3	Very high	158 Å²	158	27.3 Å²	27.3	85%	0.845	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	29.8	179.8	-52.9	-47.5	0	0	0	114.2	L98	L98-D101 PolarHBondContact O-N 3.49Å
102	M	93.3	Very high	92.2	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.044	18%	0.175	C	C	.	.			trans	-85.4	115.8	176.2	-56.6	-66.8	167.7	0	0	110.1	L97 L98 A100 V106 V107 T136 K139 A140 I143	L97-M102 HydrophobicContact CB-CB 4.31Å; L97-M102 HydrophobicContact CB-CG 4.5Å; L97-M102 HydrophobicContact CD2-CG 4.33Å; L97-M102 VanDerWaalsContact O-CB 3.26Å; L97-M102 WeakPolarHBondContact O-CB 3.38Å; L97-M102 VanDerWaalsContact O-CG 3.31Å; L97-M102 WeakPolarHBondContact O-CG 3.2Å; L97-M102 PolarHBondContact O-N 3.48Å; L98-M102 WeakPolarHBondContact CD2-O 3.29Å; A100-M102 HydrophobicContact CB-CE 4.34Å; A100-M102 HydrophobicContact CB-CG 4.34Å; A100-M102 PolarHBondContact O-N 3.47Å; M102-V106 HydrophobicContact CB-CB 4.2Å; M102-V106 HydrophobicContact CB-CG1 4.01Å; M102-V106 HydrophobicContact CG-CG1 4.22Å; M102-V106 HydrophobicContact SD-CG1 3.72Å; M102-V107 HydrophobicContact CB-CG2 4.22Å; M102-V107 WeakPolarHBondContact O-CG2 3.41Å; M102-T136 HydrophobicContact CE-CG2 4.48Å; M102-T136 HydrophobicContact SD-CG2 3.72Å; M102-K139 HydrophobicContact CE-CB 4.48Å; M102-K139 HydrophobicContact CE-CD 3.93Å; M102-K139 HydrophobicContact CE-CG 4Å; M102-A140 HydrophobicContact CE-CB 4.44Å; M102-A140 HydrophobicContact CG-CB 4.47Å; M102-A140 HydrophobicContact SD-CB 4.18Å; M102-I143 HydrophobicContact CE-CD1 4.16Å
103	N	93.6	Very high	91.8	Very high	34 Å²	34	31.2 Å²	31.2	18%	0.182	17%	0.167	C	C	.	.			trans	-64.8	166.4	176.8	74.6	12.1	0	0	0	112.9	D105 V106 V107	N103-D105 VanDerWaalsContact C-N 3.26Å; N103-D105 PolarHBondContact O-N 3.21Å; N103-D105 VanDerWaalsContact O-N 3.16Å; N103-D105 PolarHBondContact OD1-N 3.21Å; N103-V106 PolarHBondContact O-N 2.7Å; N103-V106 WeakPolarHBondContact OD1-CG2 3.14Å; N103-V106 PolarHBondContact OD1-N 3.08Å; N103-V107 WeakPolarHBondContact O-CG2 3.35Å; N103-V107 PolarHBondContact O-N 2.03Å
104	A	94.9	Very high	91.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-52.8	-36.7	-177.9	0	0	0	0	0	114.6	V45 V48 S49 V107 C108 Y126	V45-A104 HydrophobicContact CG1-CB 4.03Å; V48-A104 HydrophobicContact CB-CB 3.94Å; V48-A104 HydrophobicContact CG1-CB 3.83Å; S49-A104 WeakPolarHBondContact OG-CB 3.46Å; A104-V107 PolarHBondContact O-N 3.45Å; A104-C108 WeakPolarHBondContact O-CB 3.29Å; A104-C108 PolarHBondContact O-N 2.74Å; A104-C108 PolarHBondContact O-SG 3.26Å; A104-Y126 HydrophobicContact CB-CD2 4.45Å; A104-Y126 HydrophobicContact CB-CE2 4.06Å
105	D	94.3	Very high	91.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-49.5	175.5	-64.9	-55.4	0	0	0	111.3	N103 V107 C108 H109 H124 L125 Y126 W133	N103-D105 VanDerWaalsContact C-N 3.26Å; N103-D105 PolarHBondContact O-N 3.21Å; N103-D105 VanDerWaalsContact O-N 3.16Å; N103-D105 PolarHBondContact OD1-N 3.21Å; D105-V107 VanDerWaalsContact C-N 3.34Å; D105-V107 PolarHBondContact O-N 2.9Å; D105-C108 PolarHBondContact O-N 3.39Å; D105-H109 PolarHBondContact O-CD2 3.09Å; D105-H109 VanDerWaalsContact O-CD2 3.28Å; D105-H109 PolarHBondContact O-N 3.13Å; D105-H124 HydrophobicContact CB-CB 4.48Å; D105-L125 VanDerWaalsContact CG-N 3.3Å; D105-L125 PolarHBondContact OD1-N 3.36Å; D105-L125 PolarHBondContact OD2-N 2.95Å; D105-Y126 WeakPolarHBondContact OD2-CB 3.31Å; D105-Y126 PolarHBondContact OD2-N 3.18Å; D105-W133 HydrophobicContact CB-CH2 4.21Å; D105-W133 HydrophobicContact CB-CZ3 4.37Å
106	V	94.1	Very high	90.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-42.1	178.4	177.7	0	0	0	0	110.6	M102 N103 T110 P129 W133 T136 A140	M102-V106 HydrophobicContact CB-CB 4.2Å; M102-V106 HydrophobicContact CB-CG1 4.01Å; M102-V106 HydrophobicContact CG-CG1 4.22Å; M102-V106 HydrophobicContact SD-CG1 3.72Å; N103-V106 PolarHBondContact O-N 2.7Å; N103-V106 WeakPolarHBondContact OD1-CG2 3.14Å; N103-V106 PolarHBondContact OD1-N 3.08Å; V106-T110 VanDerWaalsContact O-CB 3.27Å; V106-T110 WeakPolarHBondContact O-CB 3.26Å; V106-T110 PolarHBondContact O-N 2.96Å; V106-T110 PolarHBondContact O-OG1 3.43Å; V106-P129 HydrophobicContact CG2-CG 4.22Å; V106-W133 HydrophobicContact CB-CH2 4.43Å; V106-W133 HydrophobicContact CB-CZ3 4.38Å; V106-W133 HydrophobicContact CG2-CE3 4.12Å; V106-W133 HydrophobicContact CG2-CH2 3.9Å; V106-W133 HydrophobicContact CG2-CZ3 3.4Å; V106-T136 HydrophobicContact CG1-CG2 4.19Å; V106-T136 HydrophobicContact CG2-CG2 4.01Å; V106-A140 HydrophobicContact CG1-CB 3.79Å
107	V	93.4	Very high	89.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-51.5	176.2	177.7	0	0	0	0	110.6	V48 I94 L97 L98 M102 N103 A104 D105 H109 T110 L111	V48-V107 HydrophobicContact CG1-CB 4.08Å; V48-V107 HydrophobicContact CG1-CG1 4.11Å; V48-V107 HydrophobicContact CG1-CG2 4.13Å; V48-V107 HydrophobicContact CG2-CG1 3.98Å; I94-V107 HydrophobicContact CG1-CG1 4.39Å; L97-V107 HydrophobicContact CB-CG2 3.85Å; L97-V107 HydrophobicContact CD1-CB 4.48Å; L97-V107 HydrophobicContact CD1-CG1 4.06Å; L97-V107 HydrophobicContact CD1-CG2 4.45Å; L98-V107 HydrophobicContact CD2-CG2 4.27Å; M102-V107 HydrophobicContact CB-CG2 4.22Å; M102-V107 WeakPolarHBondContact O-CG2 3.41Å; N103-V107 WeakPolarHBondContact O-CG2 3.35Å; N103-V107 PolarHBondContact O-N 2.03Å; A104-V107 PolarHBondContact O-N 3.45Å; D105-V107 VanDerWaalsContact C-N 3.34Å; D105-V107 PolarHBondContact O-N 2.9Å; V107-H109 PolarHBondContact O-N 3.42Å; V107-T110 WeakPolarHBondContact O-CB 3.29Å; V107-T110 PolarHBondContact O-N 3.18Å; V107-T110 VanDerWaalsContact O-N 3.09Å; V107-L111 HydrophobicContact CG1-CD1 3.82Å; V107-L111 HydrophobicContact CG1-CG 4.41Å; V107-L111 WeakPolarHBondContact O-CG 3.46Å; V107-L111 PolarHBondContact O-N 3.07Å
108	C	90.9	Very high	88.8	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-72.1	-29.3	-174.4	-66.8	0	0	0	0	114.1	C44 V45 A104 D105 E112 F113 C114	C44-C108 HydrophobicContact CB-CB 3.81Å; C44-C108 WeakPolarHBondContact CB-SG 3.23Å; C44-C108 PolarHBondContact O-SG 3.09Å; C44-C108 VanDerWaalsContact SG-CA 3.53Å; C44-C108 WeakPolarHBondContact SG-CB 3.35Å; C44-C108 CovalentContact SG-SG 2.04Å; C44-C108 PolarHBondContact SG-SG 3.29Å; V45-C108 HydrophobicContact CG2-CB 3.91Å; V45-C108 PolarHBondContact N-SG 2.98Å; A104-C108 WeakPolarHBondContact O-CB 3.29Å; A104-C108 PolarHBondContact O-N 2.74Å; A104-C108 PolarHBondContact O-SG 3.26Å; D105-C108 PolarHBondContact O-N 3.39Å; C108-E112 PolarHBondContact O-N 2.85Å; C108-F113 PolarHBondContact O-N 2.87Å; C108-F113 VanDerWaalsContact O-N 3.11Å; C108-C114 HydrophobicContact CB-CB 4.33Å; C108-C114 WeakPolarHBondContact CB-SG 3.29Å; C108-C114 PolarHBondContact O-N 2.54Å
109	H	91.3	Very high	87.8	Confident	7 Å²	7	48.1 Å²	48.1	3%	0.032	28%	0.281	C	S	.	.	H	α-helix	trans	-75.2	-24.7	168.2	-82.2	-84	0	0	0	113.3	D105 V107 C114 L122 C123 W133 L137	D105-H109 PolarHBondContact O-CD2 3.09Å; D105-H109 VanDerWaalsContact O-CD2 3.28Å; D105-H109 PolarHBondContact O-N 3.13Å; V107-H109 PolarHBondContact O-N 3.42Å; H109-C114 HydrophobicContact CB-CB 4.33Å; H109-C114 PolarHBondContact ND1-O 3.26Å; H109-L122 WeakPolarHBondContact NE2-CD1 3.49Å; H109-C123 PolarHBondContact NE2-O 3.17Å; H109-W133 HydrophobicContact CB-CH2 4.19Å; H109-W133 HydrophobicContact CB-CZ2 3.75Å; H109-W133 AromaticContact CD2-CH2 3.67Å; H109-W133 AromaticContact CD2-CZ2 3.52Å; H109-W133 AromaticContact CG-CZ2 3.62Å; H109-L137 HydrophobicContact CB-CD1 3.86Å
110	T	90.9	Very high	87.1	Confident	2 Å²	2	48 Å²	48	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-75.9	-37.5	174.4	-59.8	0	0	0	0	111.7	L97 V106 V107 E112 L137 A140 R141 V144	L97-T110 HydrophobicContact CD1-CG2 3.95Å; L97-T110 HydrophobicContact CD2-CG2 4.16Å; V106-T110 VanDerWaalsContact O-CB 3.27Å; V106-T110 WeakPolarHBondContact O-CB 3.26Å; V106-T110 PolarHBondContact O-N 2.96Å; V106-T110 PolarHBondContact O-OG1 3.43Å; V107-T110 WeakPolarHBondContact O-CB 3.29Å; V107-T110 PolarHBondContact O-N 3.18Å; V107-T110 VanDerWaalsContact O-N 3.09Å; T110-E112 VanDerWaalsContact C-N 3.3Å; T110-E112 PolarHBondContact O-N 3.41Å; T110-L137 WeakPolarHBondContact OG1-CD1 3.32Å; T110-A140 HydrophobicContact CG2-CB 4.06Å; T110-A140 VanDerWaalsContact OG1-CB 3.23Å; T110-A140 WeakPolarHBondContact OG1-CB 3.27Å; T110-R141 HydrophobicContact CG2-CG 4.15Å; T110-V144 HydrophobicContact CG2-CG2 3.6Å
111	L	84.5	Confident	86.8	Confident	24 Å²	24	51 Å²	51	13%	0.126	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	9.7	178.5	-62	178.8	0	0	0	114	D93 I94 L97 V107 F113	D93-L111 HydrophobicContact CB-CD2 4.03Å; I94-L111 HydrophobicContact CG1-CD1 3.91Å; L97-L111 HydrophobicContact CD1-CD2 4.44Å; L97-L111 HydrophobicContact CD1-CG 4.39Å; V107-L111 HydrophobicContact CG1-CD1 3.82Å; V107-L111 HydrophobicContact CG1-CG 4.41Å; V107-L111 WeakPolarHBondContact O-CG 3.46Å; V107-L111 PolarHBondContact O-N 3.07Å; L111-F113 HydrophobicContact CB-CD2 3.63Å; L111-F113 HydrophobicContact CB-CE2 3.86Å; L111-F113 HydrophobicContact CD1-CD2 4.48Å; L111-F113 HydrophobicContact CD1-CE2 4.23Å; L111-F113 PolarHBondContact O-N 3.23Å; L111-F113 VanDerWaalsContact O-N 3.09Å
112	E	84.7	Confident	86.8	Confident	87 Å²	87	45.1 Å²	45.1	41%	0.407	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	8.8	179	-50.6	-166.7	149.8	0	0	117	C108 T110 C114 K115	C108-E112 PolarHBondContact O-N 2.85Å; T110-E112 VanDerWaalsContact C-N 3.3Å; T110-E112 PolarHBondContact O-N 3.41Å; E112-C114 VanDerWaalsContact C-N 3.34Å; E112-K115 VanDerWaalsContact O-CE 3.26Å; E112-K115 WeakPolarHBondContact O-CE 3.09Å
113	F	82.1	Confident	86.7	Confident	54 Å²	54	45.2 Å²	45.2	24%	0.237	26%	0.257	C	S	.	.	S	Bend	trans	-68.7	-34.8	170.3	-66.5	-69.9	0	0	0	111.8	T40 C41 C44 F90 C108 L111	T40-F113 HydrophobicContact CG2-CB 4.26Å; T40-F113 HydrophobicContact CG2-CD1 3.78Å; C41-F113 PolarHBondContact N-O 3.05Å; C44-F113 HydrophobicContact CB-CB 3.59Å; C44-F113 HydrophobicContact CB-CD2 4.11Å; C44-F113 HydrophobicContact CB-CG 3.91Å; C44-F113 WeakPolarHBondContact SG-CD2 3.44Å; F90-F113 HydrophobicContact CD1-CE2 4.13Å; F90-F113 HydrophobicContact CD1-CZ 4.1Å; F90-F113 HydrophobicContact CD2-CZ 4.4Å; F90-F113 HydrophobicContact CE1-CE2 4.01Å; F90-F113 AromaticContact CE1-CZ 3.64Å; F90-F113 HydrophobicContact CE1-CZ 3.64Å; F90-F113 AromaticContact CE2-CZ 3.97Å; F90-F113 HydrophobicContact CE2-CZ 3.97Å; F90-F113 HydrophobicContact CG-CZ 4.46Å; F90-F113 HydrophobicContact CZ-CE1 4.37Å; F90-F113 HydrophobicContact CZ-CE2 4.37Å; F90-F113 AromaticContact CZ-CZ 3.56Å; F90-F113 HydrophobicContact CZ-CZ 3.56Å; C108-F113 PolarHBondContact O-N 2.87Å; C108-F113 VanDerWaalsContact O-N 3.11Å; L111-F113 HydrophobicContact CB-CD2 3.63Å; L111-F113 HydrophobicContact CB-CE2 3.86Å; L111-F113 HydrophobicContact CD1-CD2 4.48Å; L111-F113 HydrophobicContact CD1-CE2 4.23Å; L111-F113 PolarHBondContact O-N 3.23Å; L111-F113 VanDerWaalsContact O-N 3.09Å
114	C	84.3	Confident	86.7	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.02	26%	0.263	C	S	.	.	S	Bend	trans	-100.3	130.6	166.1	-61.4	0	0	0	0	109.3	C41 C108 H109 E112	C41-C114 WeakPolarHBondContact CA-SG 3.47Å; C41-C114 HydrophobicContact CB-CB 3.85Å; C41-C114 WeakPolarHBondContact CB-SG 3.44Å; C41-C114 WeakPolarHBondContact SG-CB 3.01Å; C41-C114 CovalentContact SG-SG 2.03Å; C41-C114 PolarHBondContact SG-SG 3.25Å; C108-C114 HydrophobicContact CB-CB 4.33Å; C108-C114 WeakPolarHBondContact CB-SG 3.29Å; C108-C114 PolarHBondContact O-N 2.54Å; H109-C114 HydrophobicContact CB-CB 4.33Å; H109-C114 PolarHBondContact ND1-O 3.26Å; E112-C114 VanDerWaalsContact C-N 3.34Å
115	K	84.6	Confident	86.7	Confident	102 Å²	102	47 Å²	47	44%	0.443	26%	0.264	S	S	.	.			trans	-122.6	129.9	179.7	-67.5	178.8	-176.8	167.2	0	110	E112	E112-K115 VanDerWaalsContact O-CE 3.26Å; E112-K115 WeakPolarHBondContact O-CE 3.09Å
116	Q	82.3	Confident	86.7	Confident	94 Å²	94	47.6 Å²	47.6	44%	0.439	27%	0.267	S	S	.	.			trans	-101.6	107.6	169.6	-172.9	179.1	10.9	0	0	108.6	Q120	Q116-Q120 PolarHBondContact NE2-O 2.85Å
117	N	77.8	Confident	86.3	Confident	80 Å²	80	51.3 Å²	51.3	43%	0.428	29%	0.291	S	S	.	.			trans	-78.8	154.5	174.7	-57	-63.3	0	0	0	110.5	G119 Q120	N117-G119 PolarHBondContact O-N 3.09Å; N117-Q120 HydrophobicContact CB-CG 4.31Å; N117-Q120 PolarHBondContact ND2-OE1 3.4Å; N117-Q120 PolarHBondContact O-N 3.23Å
118	T	76.1	Confident	85.9	Confident	155 Å²	155	55.4 Å²	55.4	95%	0.951	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	126.9	176	-48.2	0	0	0	0	110.7	Q120	T118-Q120 VanDerWaalsContact C-N 3.34Å
119	G	74.7	Confident	85.4	Confident	84 Å²	84	57.5 Å²	57.5	87%	0.866	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-5	-178.7	0	0	0	0	0	115.6	N117	N117-G119 PolarHBondContact O-N 3.09Å
120	Q	78.5	Confident	84.8	Confident	84 Å²	84	67.9 Å²	67.9	39%	0.393	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-90.4	143.1	172.5	-69.1	-174.2	-34.6	0	0	111.8	Q116 N117 T118	Q116-Q120 PolarHBondContact NE2-O 2.85Å; N117-Q120 HydrophobicContact CB-CG 4.31Å; N117-Q120 PolarHBondContact ND2-OE1 3.4Å; N117-Q120 PolarHBondContact O-N 3.23Å; T118-Q120 VanDerWaalsContact C-N 3.34Å
121	P	85.6	Confident	84.4	Confident	94 Å²	94	72.1 Å²	72.1	61%	0.61	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-61.1	155.8	171.9	27.8	-34.7	0	0	0	110.7	C123	P121-C123 PolarHBondContact O-N 2.58Å
122	L	89.9	Confident	84.5	Confident	33 Å²	33	75.7 Å²	75.7	17%	0.173	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-71.8	118.2	170.1	173.4	63.3	0	0	0	109.1	H109 L128 W133	H109-L122 WeakPolarHBondContact NE2-CD1 3.49Å; L122-L128 HydrophobicContact CD2-CD2 3.63Å; L122-W133 HydrophobicContact CD1-CD2 4.2Å; L122-W133 HydrophobicContact CD1-CH2 4.26Å; L122-W133 HydrophobicContact CD1-CZ2 3.57Å; L122-W133 HydrophobicContact CD2-CB 4.09Å; L122-W133 HydrophobicContact CD2-CD2 3.36Å; L122-W133 HydrophobicContact CD2-CE3 3.81Å; L122-W133 HydrophobicContact CD2-CG 3.45Å; L122-W133 VanDerWaalsContact CD2-CG 3.45Å; L122-W133 HydrophobicContact CD2-CZ2 4.25Å; L122-W133 HydrophobicContact CD2-CZ3 4.39Å; L122-W133 HydrophobicContact CG-CD2 4.41Å
123	C	92.4	Very high	84.7	Confident	12 Å²	12	73.2 Å²	73.2	8%	0.081	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-86.8	125	169.5	-49.1	0	0	0	0	109.6	H109 P121 F450 C453 L454	H109-C123 PolarHBondContact NE2-O 3.17Å; P121-C123 PolarHBondContact O-N 2.58Å; C123-F450 HydrophobicContact CB-CD2 4.36Å; C123-C453 WeakPolarHBondContact CA-SG 3.23Å; C123-C453 HydrophobicContact CB-CB 3.72Å; C123-C453 WeakPolarHBondContact CB-SG 3.49Å; C123-C453 WeakPolarHBondContact SG-CB 3.39Å; C123-C453 PolarHBondContact SG-O 3.09Å; C123-C453 CovalentContact SG-SG 2.04Å; C123-C453 PolarHBondContact SG-SG 3.09Å; C123-L454 HydrophobicContact CB-CD2 3.59Å; C123-L454 HydrophobicContact CB-CG 3.83Å
124	H	93.8	Very high	84.9	Confident	64 Å²	64	78.5 Å²	78.5	30%	0.296	42%	0.424	S	S	.	.			trans	-142.5	146.4	179.7	65.4	96.6	0	0	0	109.7	D105 Y126 L128 F450	D105-H124 HydrophobicContact CB-CB 4.48Å; H124-Y126 PolarHBondContact ND1-O 3.23Å; H124-L128 HydrophobicContact CB-CD2 4.04Å; H124-F450 WeakPolarHBondContact O-CD2 3.3Å
125	L	94.7	Very high	85.2	Confident	6 Å²	6	83.6 Å²	83.6	3%	0.031	45%	0.446	C	S	.	.	S	Bend	trans	-96.6	-39.8	177.8	-178.2	60.5	0	0	0	111.5	V45 D105 M442 L447 F450	V45-L125 HydrophobicContact CG1-CB 4.12Å; V45-L125 HydrophobicContact CG1-CD2 3.63Å; D105-L125 VanDerWaalsContact CG-N 3.3Å; D105-L125 PolarHBondContact OD1-N 3.36Å; D105-L125 PolarHBondContact OD2-N 2.95Å; L125-M442 HydrophobicContact CD1-CE 4.09Å; L125-M442 HydrophobicContact CD1-CG 3.74Å; L125-M442 HydrophobicContact CD1-SD 3.78Å; L125-M442 HydrophobicContact CD2-CE 4.27Å; L125-M442 HydrophobicContact CG-CE 4.44Å; L125-M442 HydrophobicContact CG-CG 3.88Å; L125-M442 HydrophobicContact CG-SD 4.45Å; L125-L447 HydrophobicContact CD1-CB 4.43Å; L125-L447 HydrophobicContact CD1-CD1 4.23Å; L125-F450 HydrophobicContact CB-CB 4.41Å; L125-F450 HydrophobicContact CB-CD1 4.06Å; L125-F450 HydrophobicContact CB-CD2 4.04Å; L125-F450 HydrophobicContact CB-CE1 4.25Å; L125-F450 HydrophobicContact CB-CE2 4.23Å; L125-F450 HydrophobicContact CB-CG 3.93Å; L125-F450 HydrophobicContact CB-CZ 4.33Å; L125-F450 HydrophobicContact CD1-CB 3.96Å; L125-F450 HydrophobicContact CD1-CD1 3.92Å; L125-F450 HydrophobicContact CD1-CG 4.08Å; L125-F450 HydrophobicContact CD2-CE1 4.48Å; L125-F450 HydrophobicContact CG-CD1 4.38Å
126	Y	93.4	Very high	85.5	Confident	13 Å²	13	79.1 Å²	79.1	5%	0.051	43%	0.427	C	S	.	.	S	Bend	trans	-93.6	163.6	-179.3	-65.8	-82	0	0	0	111.5	V45 S49 A104 D105 H124 L128 D441 M442	V45-Y126 HydrophobicContact CG1-CE2 4.19Å; S49-Y126 VanDerWaalsContact CB-OH 3.3Å; S49-Y126 WeakPolarHBondContact CB-OH 3.3Å; S49-Y126 VanDerWaalsContact OG-CE2 3.29Å; S49-Y126 WeakPolarHBondContact OG-CE2 3.38Å; S49-Y126 PolarHBondContact OG-OH 3.22Å; A104-Y126 HydrophobicContact CB-CD2 4.45Å; A104-Y126 HydrophobicContact CB-CE2 4.06Å; D105-Y126 WeakPolarHBondContact OD2-CB 3.31Å; D105-Y126 PolarHBondContact OD2-N 3.18Å; H124-Y126 PolarHBondContact ND1-O 3.23Å; Y126-L128 PolarHBondContact O-N 3.26Å; Y126-D441 WeakPolarHBondContact CE1-OD2 3.41Å; Y126-M442 HydrophobicContact CE1-CB 4.31Å
127	P	86.4	Confident	85.9	Confident	79 Å²	79	75.4 Å²	75.4	51%	0.513	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-54.1	140.2	170.8	-25.7	35.7	0	0	0	111.7
128	L	85.7	Confident	86.5	Confident	87 Å²	87	76.8 Å²	76.8	46%	0.455	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-63.8	148.8	177.7	-66.6	176.7	0	0	0	110.9	L122 H124 Y126 W133	L122-L128 HydrophobicContact CD2-CD2 3.63Å; H124-L128 HydrophobicContact CB-CD2 4.04Å; Y126-L128 PolarHBondContact O-N 3.26Å; L128-W133 HydrophobicContact CD2-CE3 4.16Å
129	P	80.6	Confident	87.3	Confident	43 Å²	43	73.9 Å²	73.9	28%	0.279	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-56.2	155.6	175.4	-23	32.6	0	0	0	112.8	V106 E131 T136	V106-P129 HydrophobicContact CG2-CG 4.22Å; P129-E131 VanDerWaalsContact C-N 3.26Å; P129-E131 CarbonylContact C-O 2.92Å; P129-E131 PolarHBondContact O-N 3.06Å; P129-E131 VanDerWaalsContact O-O 3.13Å; P129-T136 HydrophobicContact CB-CG2 4.29Å; P129-T136 HydrophobicContact CG-CG2 3.92Å
130	K	77.4	Confident	88.2	Confident	225 Å²	225	69.9 Å²	69.9	98%	0.978	35%	0.347	S	S	*	.	S	Bend	trans	-63.5	-33.5	173.1	-64.4	-178	-178.2	176.5	0	112.2
131	E	82.4	Confident	88.8	Confident	92 Å²	92	71.8 Å²	71.8	43%	0.43	35%	0.35	S	S	.	.	S	Bend	trans	-80.5	155	171	-67.4	179.6	177.9	0	0	110.5	P129 W133 F135	P129-E131 VanDerWaalsContact C-N 3.26Å; P129-E131 CarbonylContact C-O 2.92Å; P129-E131 PolarHBondContact O-N 3.06Å; P129-E131 VanDerWaalsContact O-O 3.13Å; E131-W133 PolarHBondContact O-N 2.94Å; E131-F135 HydrophobicContact CB-CD1 4.44Å; E131-F135 VanDerWaalsContact OE2-CD1 3.26Å; E131-F135 WeakPolarHBondContact OE2-CD1 3.49Å; E131-F135 WeakPolarHBondContact OE2-CE1 3.26Å
132	T	87.8	Confident	89.1	Confident	99 Å²	99	72.1 Å²	72.1	61%	0.607	34%	0.344	S	S	*	.			trans	-57.1	138.2	178.7	70.3	0	0	0	0	111.4	K134 F135 T136	T132-K134 PolarHBondContact O-N 3.46Å; T132-F135 PolarHBondContact O-N 3.04Å; T132-F135 WeakPolarHBondContact OG1-CB 2.88Å; T132-F135 PolarHBondContact OG1-N 3.09Å; T132-T136 PolarHBondContact O-N 3.48Å; T132-T136 PolarHBondContact O-OG1 3.22Å; T132-T136 VanDerWaalsContact O-OG1 3.1Å
133	W	87.5	Confident	89.2	Confident	34 Å²	34	73.4 Å²	73.4	13%	0.129	35%	0.35	C	S	.	.	H	α-helix	trans	-51.3	-44.2	-180	173.2	-102.4	0	0	0	112.7	D105 V106 H109 L122 L128 E131 F135 T136 L137	D105-W133 HydrophobicContact CB-CH2 4.21Å; D105-W133 HydrophobicContact CB-CZ3 4.37Å; V106-W133 HydrophobicContact CB-CH2 4.43Å; V106-W133 HydrophobicContact CB-CZ3 4.38Å; V106-W133 HydrophobicContact CG2-CE3 4.12Å; V106-W133 HydrophobicContact CG2-CH2 3.9Å; V106-W133 HydrophobicContact CG2-CZ3 3.4Å; H109-W133 HydrophobicContact CB-CH2 4.19Å; H109-W133 HydrophobicContact CB-CZ2 3.75Å; H109-W133 AromaticContact CD2-CH2 3.67Å; H109-W133 AromaticContact CD2-CZ2 3.52Å; H109-W133 AromaticContact CG-CZ2 3.62Å; L122-W133 HydrophobicContact CD1-CD2 4.2Å; L122-W133 HydrophobicContact CD1-CH2 4.26Å; L122-W133 HydrophobicContact CD1-CZ2 3.57Å; L122-W133 HydrophobicContact CD2-CB 4.09Å; L122-W133 HydrophobicContact CD2-CD2 3.36Å; L122-W133 HydrophobicContact CD2-CE3 3.81Å; L122-W133 HydrophobicContact CD2-CG 3.45Å; L122-W133 VanDerWaalsContact CD2-CG 3.45Å; L122-W133 HydrophobicContact CD2-CZ2 4.25Å; L122-W133 HydrophobicContact CD2-CZ3 4.39Å; L122-W133 HydrophobicContact CG-CD2 4.41Å; L128-W133 HydrophobicContact CD2-CE3 4.16Å; E131-W133 PolarHBondContact O-N 2.94Å; W133-F135 VanDerWaalsContact C-N 3.32Å; W133-F135 PolarHBondContact O-N 3.3Å; W133-T136 PolarHBondContact O-N 2.52Å; W133-L137 VanDerWaalsContact O-CB 3.29Å; W133-L137 WeakPolarHBondContact O-CB 3.4Å; W133-L137 PolarHBondContact O-N 3.13Å
134	K	87.6	Confident	89	Confident	166 Å²	166	72.9 Å²	72.9	72%	0.722	35%	0.347	S	S	*	.	H	α-helix	trans	-58	-43	178.8	-175.5	-179.2	178.1	-176.7	0	112.1	T132 Q138	T132-K134 PolarHBondContact O-N 3.46Å; K134-Q138 VanDerWaalsContact O-CB 3.32Å; K134-Q138 WeakPolarHBondContact O-CB 3.05Å; K134-Q138 PolarHBondContact O-N 2.99Å
135	F	90.4	Very high	88.5	Confident	110 Å²	110	76.3 Å²	76.3	48%	0.482	36%	0.361	S	S	.	.	H	α-helix	trans	-71.4	-44.1	178.2	-176.5	-99.1	0	0	0	111.6	E131 T132 W133 L137 Q138 K139	E131-F135 HydrophobicContact CB-CD1 4.44Å; E131-F135 VanDerWaalsContact OE2-CD1 3.26Å; E131-F135 WeakPolarHBondContact OE2-CD1 3.49Å; E131-F135 WeakPolarHBondContact OE2-CE1 3.26Å; T132-F135 PolarHBondContact O-N 3.04Å; T132-F135 WeakPolarHBondContact OG1-CB 2.88Å; T132-F135 PolarHBondContact OG1-N 3.09Å; W133-F135 VanDerWaalsContact C-N 3.32Å; W133-F135 PolarHBondContact O-N 3.3Å; F135-L137 PolarHBondContact O-N 3.39Å; F135-Q138 WeakPolarHBondContact O-CB 3.04Å; F135-Q138 PolarHBondContact O-N 3.39Å; F135-Q138 VanDerWaalsContact O-N 3.13Å; F135-K139 WeakPolarHBondContact O-CB 3.38Å; F135-K139 PolarHBondContact O-N 3.31Å
136	T	91.4	Very high	87.7	Confident	8 Å²	8	86 Å²	86	5%	0.049	40%	0.402	C	S	.	.	H	α-helix	trans	-57.8	-47.6	176.5	-50.4	0	0	0	0	111.2	M102 V106 P129 T132 W133 Q138 K139 A140	M102-T136 HydrophobicContact CE-CG2 4.48Å; M102-T136 HydrophobicContact SD-CG2 3.72Å; V106-T136 HydrophobicContact CG1-CG2 4.19Å; V106-T136 HydrophobicContact CG2-CG2 4.01Å; P129-T136 HydrophobicContact CB-CG2 4.29Å; P129-T136 HydrophobicContact CG-CG2 3.92Å; T132-T136 PolarHBondContact O-N 3.48Å; T132-T136 PolarHBondContact O-OG1 3.22Å; T132-T136 VanDerWaalsContact O-OG1 3.1Å; W133-T136 PolarHBondContact O-N 2.52Å; T136-Q138 VanDerWaalsContact C-N 3.34Å; T136-Q138 PolarHBondContact O-N 2.95Å; T136-K139 WeakPolarHBondContact O-CB 3.4Å; T136-K139 PolarHBondContact O-N 3.48Å; T136-A140 WeakPolarHBondContact O-CB 3.41Å; T136-A140 PolarHBondContact O-N 3.45Å
137	L	90.4	Very high	86.6	Confident	15 Å²	15	85.7 Å²	85.7	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-66	-34.3	176.9	-171.7	65.7	0	0	0	112.2	H109 T110 W133 F135 R141	H109-L137 HydrophobicContact CB-CD1 3.86Å; T110-L137 WeakPolarHBondContact OG1-CD1 3.32Å; W133-L137 VanDerWaalsContact O-CB 3.29Å; W133-L137 WeakPolarHBondContact O-CB 3.4Å; W133-L137 PolarHBondContact O-N 3.13Å; F135-L137 PolarHBondContact O-N 3.39Å; L137-R141 WeakPolarHBondContact O-CB 3.39Å; L137-R141 WeakPolarHBondContact O-CG 3.33Å; L137-R141 PolarHBondContact O-N 2.96Å
138	Q	90.9	Very high	85.3	Confident	109 Å²	109	86.8 Å²	86.8	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-67	-42.4	173.5	-179.3	174.4	-11.8	0	0	111.9	K134 F135 T136 R141 Q142	K134-Q138 VanDerWaalsContact O-CB 3.32Å; K134-Q138 WeakPolarHBondContact O-CB 3.05Å; K134-Q138 PolarHBondContact O-N 2.99Å; F135-Q138 WeakPolarHBondContact O-CB 3.04Å; F135-Q138 PolarHBondContact O-N 3.39Å; F135-Q138 VanDerWaalsContact O-N 3.13Å; T136-Q138 VanDerWaalsContact C-N 3.34Å; T136-Q138 PolarHBondContact O-N 2.95Å; Q138-R141 PolarHBondContact O-N 3.36Å; Q138-Q142 WeakPolarHBondContact O-CG 3.42Å; Q138-Q142 PolarHBondContact O-N 2.94Å
139	K	92.4	Very high	83.9	Confident	95 Å²	95	84.5 Å²	84.5	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-61	-50.3	174.6	-179.3	-180	174.8	-171.4	0	110.6	M102 F135 T136 R141 Q142 I143	M102-K139 HydrophobicContact CE-CB 4.48Å; M102-K139 HydrophobicContact CE-CD 3.93Å; M102-K139 HydrophobicContact CE-CG 4Å; F135-K139 WeakPolarHBondContact O-CB 3.38Å; F135-K139 PolarHBondContact O-N 3.31Å; T136-K139 WeakPolarHBondContact O-CB 3.4Å; T136-K139 PolarHBondContact O-N 3.48Å; K139-R141 PolarHBondContact O-N 3.44Å; K139-Q142 PolarHBondContact O-N 3.09Å; K139-Q142 VanDerWaalsContact O-N 3.09Å; K139-I143 WeakPolarHBondContact O-CG1 3.17Å; K139-I143 PolarHBondContact O-N 3.46Å; K139-I143 VanDerWaalsContact O-N 3.09Å
140	A	92.2	Very high	82.5	Confident	0 Å²	0	86.4 Å²	86.4	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-55.4	-46.6	173.9	0	0	0	0	0	112.4	L97 M102 V106 T110 T136 Q142 I143 V144	L97-A140 HydrophobicContact CD2-CB 3.75Å; M102-A140 HydrophobicContact CE-CB 4.44Å; M102-A140 HydrophobicContact CG-CB 4.47Å; M102-A140 HydrophobicContact SD-CB 4.18Å; V106-A140 HydrophobicContact CG1-CB 3.79Å; T110-A140 HydrophobicContact CG2-CB 4.06Å; T110-A140 VanDerWaalsContact OG1-CB 3.23Å; T110-A140 WeakPolarHBondContact OG1-CB 3.27Å; T136-A140 WeakPolarHBondContact O-CB 3.41Å; T136-A140 PolarHBondContact O-N 3.45Å; A140-Q142 VanDerWaalsContact C-N 3.35Å; A140-Q142 PolarHBondContact O-N 3.28Å; A140-I143 WeakPolarHBondContact O-CB 3.42Å; A140-I143 PolarHBondContact O-N 2.04Å; A140-V144 PolarHBondContact O-N 3Å
141	R	91.6	Very high	80.9	Confident	123 Å²	123	84.9 Å²	84.9	46%	0.464	40%	0.398	S	S	.	.	H	α-helix	trans	-63.5	-32.4	174.9	-74.8	171	177.3	176.4	-0.1	113.9	T110 L137 Q138 K139 K145	T110-R141 HydrophobicContact CG2-CG 4.15Å; L137-R141 WeakPolarHBondContact O-CB 3.39Å; L137-R141 WeakPolarHBondContact O-CG 3.33Å; L137-R141 PolarHBondContact O-N 2.96Å; Q138-R141 PolarHBondContact O-N 3.36Å; K139-R141 PolarHBondContact O-N 3.44Å; R141-K145 WeakPolarHBondContact O-CB 3.12Å; R141-K145 PolarHBondContact O-N 2.97Å; R141-K145 VanDerWaalsContact O-N 3.09Å
142	Q	92.1	Very high	79	Confident	101 Å²	101	88.5 Å²	88.5	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-68.5	-39.1	172.8	-66.9	-44.3	-64.7	0	0	111.9	Q138 K139 A140 V144 K145	Q138-Q142 WeakPolarHBondContact O-CG 3.42Å; Q138-Q142 PolarHBondContact O-N 2.94Å; K139-Q142 PolarHBondContact O-N 3.09Å; K139-Q142 VanDerWaalsContact O-N 3.09Å; A140-Q142 VanDerWaalsContact C-N 3.35Å; A140-Q142 PolarHBondContact O-N 3.28Å; Q142-V144 VanDerWaalsContact C-N 3.3Å; Q142-V144 PolarHBondContact O-N 3.48Å; Q142-K145 VanDerWaalsContact O-CB 3.31Å; Q142-K145 WeakPolarHBondContact O-CB 3.39Å; Q142-K145 PolarHBondContact O-N 2.95Å
143	I	91.6	Very high	76.6	Confident	61 Å²	61	87.6 Å²	87.6	31%	0.313	41%	0.406	S	S	.	.	H	α-helix	trans	-56.9	-43.7	178	-69.1	164.5	0	0	0	111	K96 L97 A100 M102 K139 A140	K96-I143 HydrophobicContact CB-CG2 3.67Å; L97-I143 HydrophobicContact CD2-CB 4.46Å; L97-I143 HydrophobicContact CD2-CG2 4.38Å; A100-I143 HydrophobicContact CB-CD1 3.66Å; M102-I143 HydrophobicContact CE-CD1 4.16Å; K139-I143 WeakPolarHBondContact O-CG1 3.17Å; K139-I143 PolarHBondContact O-N 3.46Å; K139-I143 VanDerWaalsContact O-N 3.09Å; A140-I143 WeakPolarHBondContact O-CB 3.42Å; A140-I143 PolarHBondContact O-N 2.04Å
144	V	89.8	Confident	74.3	Confident	1 Å²	1	97.8 Å²	97.8	1%	0.006	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.8	-179.8	-59.2	0	0	0	0	114.6	D93 L97 T110 A140 Q142 K146 S147 L150	D93-V144 HydrophobicContact CB-CG1 3.75Å; L97-V144 HydrophobicContact CD1-CG1 3.94Å; L97-V144 HydrophobicContact CD2-CG1 4.08Å; L97-V144 HydrophobicContact CG-CG1 3.89Å; T110-V144 HydrophobicContact CG2-CG2 3.6Å; A140-V144 PolarHBondContact O-N 3Å; Q142-V144 VanDerWaalsContact C-N 3.3Å; Q142-V144 PolarHBondContact O-N 3.48Å; V144-K146 PolarHBondContact O-N 2.68Å; V144-S147 WeakPolarHBondContact O-CB 3.2Å; V144-S147 PolarHBondContact O-N 3.49Å; V144-L150 HydrophobicContact CG2-CD1 4.09Å
145	K	83.2	Confident	71.7	Confident	136 Å²	136	93.7 Å²	93.7	59%	0.591	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-28.2	-172.4	-176.6	173	178.3	-174.4	0	115.3	R141 Q142 S147	R141-K145 WeakPolarHBondContact O-CB 3.12Å; R141-K145 PolarHBondContact O-N 2.97Å; R141-K145 VanDerWaalsContact O-N 3.09Å; Q142-K145 VanDerWaalsContact O-CB 3.31Å; Q142-K145 WeakPolarHBondContact O-CB 3.39Å; Q142-K145 PolarHBondContact O-N 2.95Å; K145-S147 VanDerWaalsContact C-N 3.34Å
146	K	76.3	Confident	69.2	Low	208 Å²	208	92 Å²	92	90%	0.904	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	2	177.4	-65.5	-175.3	179.3	179.8	0	113.5	V144	V144-K146 PolarHBondContact O-N 2.68Å
147	S	70.6	Confident	66.5	Low	8 Å²	8	93.9 Å²	93.9	6%	0.056	46%	0.464	C	S	.	.			trans	-70.2	136.4	-178.2	-179.2	0	0	0	0	112.3	D93 V144 K145 I149	D93-S147 WeakPolarHBondContact OD2-CB 2.98Å; D93-S147 PolarHBondContact OD2-OG 2.93Å; V144-S147 WeakPolarHBondContact O-CB 3.2Å; V144-S147 PolarHBondContact O-N 3.49Å; K145-S147 VanDerWaalsContact C-N 3.34Å; S147-I149 PolarHBondContact O-N 2.97Å; S147-I149 WeakPolarHBondContact OG-CD1 3.04Å; S147-I149 PolarHBondContact OG-N 3.24Å
148	P	60.6	Low	64.3	Low	101 Å²	101	96.7 Å²	96.7	66%	0.656	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-61.2	-24.3	172	-21.7	33.4	0	0	0	113.8	L150 K151	P148-L150 PolarHBondContact O-N 3.34Å; P148-K151 PolarHBondContact O-N 2.93Å
149	I	55.6	Low	61.9	Low	39 Å²	39	93.5 Å²	93.5	20%	0.2	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-70.9	-34.3	-166.5	-61.1	150.5	0	0	0	111.6	K89 F90 D93 S147 K151 Y152	K89-I149 WeakPolarHBondContact O-CD1 3.1Å; K89-I149 VanDerWaalsContact O-CG1 3.26Å; K89-I149 WeakPolarHBondContact O-CG1 3.47Å; F90-I149 HydrophobicContact CD1-CG2 3.96Å; F90-I149 HydrophobicContact CE1-CG2 3.76Å; D93-I149 WeakPolarHBondContact OD2-CD1 3.33Å; S147-I149 PolarHBondContact O-N 2.97Å; S147-I149 WeakPolarHBondContact OG-CD1 3.04Å; S147-I149 PolarHBondContact OG-N 3.24Å; I149-K151 PolarHBondContact O-N 3.16Å; I149-Y152 PolarHBondContact O-N 2.8Å
150	L	51.1	Low	59.6	Low	83 Å²	83	90.8 Å²	90.8	44%	0.435	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-62.6	-10.1	174.8	-79.3	163.9	0	0	0	114.1	V144 P148	V144-L150 HydrophobicContact CG2-CD1 4.09Å; P148-L150 PolarHBondContact O-N 3.34Å
151	K	43.8	Very low	57.5	Low	193 Å²	193	94.7 Å²	94.7	84%	0.839	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-95.8	-7.6	171.9	-70.1	-175.4	174.7	-178.5	0	114.2	P148 I149	P148-K151 PolarHBondContact O-N 2.93Å; I149-K151 PolarHBondContact O-N 3.16Å
152	Y	41.4	Very low	55.3	Low	169 Å²	169	93.3 Å²	93.3	66%	0.663	49%	0.486	S	S	*	.			trans	-108.4	17.1	-170.5	-102.8	-80	0	0	0	115.1	I149 R154	I149-Y152 PolarHBondContact O-N 2.8Å; Y152-R154 PolarHBondContact O-N 3.38Å
153	S	38.7	Very low	53.2	Low	79 Å²	79	93.7 Å²	93.7	55%	0.552	50%	0.498	S	S	*	.			trans	-76.7	55	175.1	-155.5	0	0	0	0	112.2
154	R	38.2	Very low	51	Low	248 Å²	248	96.5 Å²	96.5	94%	0.936	52%	0.517	S	S	*	.			trans	-174.8	65	171.8	-108.5	172.4	-163.4	-166.4	5.6	113	Y152	Y152-R154 PolarHBondContact O-N 3.38Å
155	S	34.2	Very low	48.8	Very low	81 Å²	81	99.4 Å²	99.4	57%	0.566	53%	0.532	S	S	*	.			trans	-153.7	91.3	158.9	-164.9	0	0	0	0	110.6
156	G	36.4	Very low	47.6	Very low	73 Å²	73	94.6 Å²	94.6	75%	0.753	52%	0.518	S	S	*	.			trans	-97.4	86.4	167.7	0	0	0	0	0	109.4
157	S	35.5	Very low	46.7	Very low	48 Å²	48	92.5 Å²	92.5	34%	0.336	51%	0.509	S	S	.	.			trans	-92.7	105.8	162.2	19.2	0	0	0	0	108.3	V10	V10-S157 WeakPolarHBondContact CG1-OG 3.3Å
158	D	44.9	Very low	46	Very low	74 Å²	74	96.1 Å²	96.1	40%	0.396	53%	0.527	S	S	.	.			trans	-61.6	135.3	172.1	178	1.7	0	0	0	109.7	C160 S161	D158-C160 PolarHBondContact O-N 3.38Å; D158-C160 WeakPolarHBondContact OD1-CB 3.38Å; D158-C160 PolarHBondContact OD1-N 2.84Å; D158-S161 VanDerWaalsContact O-CB 3.28Å; D158-S161 WeakPolarHBondContact O-CB 3.01Å; D158-S161 PolarHBondContact O-N 3.47Å; D158-S161 PolarHBondContact O-OG 1.87Å
159	I	40.2	Very low	45.9	Very low	43 Å²	43	92.7 Å²	92.7	22%	0.221	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-60.6	-28	176.7	-155.6	-174.8	0	0	0	111.7	A11 S161 L162 L165	A11-I159 HydrophobicContact CB-CD1 3.54Å; A11-I159 HydrophobicContact CB-CG1 3.93Å; I159-S161 PolarHBondContact O-N 2.98Å; I159-L162 HydrophobicContact CG1-CD1 4.27Å; I159-L162 WeakPolarHBondContact O-CB 3.45Å; I159-L162 PolarHBondContact O-N 3.02Å; I159-L165 HydrophobicContact CD1-CD1 3.93Å; I159-L165 HydrophobicContact CG1-CD1 3.8Å
160	C	43.5	Very low	46.4	Very low	38 Å²	38	97.3 Å²	97.3	26%	0.257	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-73.8	-1.8	176.5	-56.6	0	0	0	0	113.5	D158 L162 A166 C169	D158-C160 PolarHBondContact O-N 3.38Å; D158-C160 WeakPolarHBondContact OD1-CB 3.38Å; D158-C160 PolarHBondContact OD1-N 2.84Å; C160-L162 VanDerWaalsContact C-N 3.31Å; C160-A166 WeakPolarHBondContact O-CA 3.27Å; C160-A166 VanDerWaalsContact O-CB 3.3Å; C160-A166 WeakPolarHBondContact O-CB 3.21Å; C160-C169 VanDerWaalsContact CA-SG 3.52Å; C160-C169 HydrophobicContact CB-CB 3.47Å; C160-C169 VanDerWaalsContact CB-CB 3.47Å; C160-C169 WeakPolarHBondContact CB-SG 3.04Å; C160-C169 WeakPolarHBondContact SG-CB 3.46Å; C160-C169 CovalentContact SG-SG 2.03Å; C160-C169 PolarHBondContact SG-SG 3.34Å
161	S	48.3	Very low	46.9	Very low	81 Å²	81	99.1 Å²	99.1	57%	0.566	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-77.9	-12.8	167.8	68.9	0	0	0	0	113.6	D158 I159	D158-S161 VanDerWaalsContact O-CB 3.28Å; D158-S161 WeakPolarHBondContact O-CB 3.01Å; D158-S161 PolarHBondContact O-N 3.47Å; D158-S161 PolarHBondContact O-OG 1.87Å; I159-S161 PolarHBondContact O-N 2.98Å
162	L	45.9	Very low	47.7	Very low	94 Å²	94	92.6 Å²	92.6	49%	0.492	50%	0.504	S	S	.	.	S	Bend	trans	-74.8	124.7	175.5	-67.9	172	0	0	0	110.1	I159 C160 V164 L165 A166	I159-L162 HydrophobicContact CG1-CD1 4.27Å; I159-L162 WeakPolarHBondContact O-CB 3.45Å; I159-L162 PolarHBondContact O-N 3.02Å; C160-L162 VanDerWaalsContact C-N 3.31Å; L162-V164 VanDerWaalsContact C-N 3.27Å; L162-V164 PolarHBondContact O-N 2.83Å; L162-L165 HydrophobicContact CB-CB 4.33Å; L162-L165 HydrophobicContact CB-CD1 4.41Å; L162-L165 HydrophobicContact CD1-CD1 4.02Å; L162-L165 CarbonylContact O-C 3.53Å; L162-L165 PolarHBondContact O-N 2.91Å; L162-A166 PolarHBondContact O-N 3.23Å
163	P	47.2	Very low	48.8	Very low	110 Å²	110	89.8 Å²	89.8	71%	0.714	50%	0.495	S	S	*	.	H	α-helix	trans	-55.1	-32.5	-169	-30.6	35.6	0	0	0	116.5
164	V	45.9	Very low	50.2	Low	120 Å²	120	89.8 Å²	89.8	73%	0.727	49%	0.489	S	S	*	.	H	α-helix	trans	-76.4	-37.6	178.2	-178.2	0	0	0	0	111.5	L162	L162-V164 VanDerWaalsContact C-N 3.27Å; L162-V164 PolarHBondContact O-N 2.83Å
165	L	44.3	Very low	51.4	Low	61 Å²	61	78.4 Å²	78.4	32%	0.319	45%	0.448	S	S	.	.	H	α-helix	trans	-82.2	-26.2	179	-64.2	179	0	0	0	112.4	I159 L162 K167 I168 C169	I159-L165 HydrophobicContact CD1-CD1 3.93Å; I159-L165 HydrophobicContact CG1-CD1 3.8Å; L162-L165 HydrophobicContact CB-CB 4.33Å; L162-L165 HydrophobicContact CB-CD1 4.41Å; L162-L165 HydrophobicContact CD1-CD1 4.02Å; L162-L165 CarbonylContact O-C 3.53Å; L162-L165 PolarHBondContact O-N 2.91Å; L165-K167 VanDerWaalsContact C-N 3.31Å; L165-K167 PolarHBondContact O-N 3.28Å; L165-I168 HydrophobicContact CD2-CD1 4.46Å; L165-I168 PolarHBondContact O-N 2.78Å; L165-C169 WeakPolarHBondContact O-CB 3.43Å; L165-C169 PolarHBondContact O-N 2.9Å; L165-C169 PolarHBondContact O-SG 3.12Å
166	A	57.3	Low	53	Low	35 Å²	35	77.9 Å²	77.9	29%	0.289	44%	0.437	S	S	.	.	H	α-helix	trans	-52.4	-46.5	179.3	0	0	0	0	0	112.5	C160 L162 I168 Q170	C160-A166 WeakPolarHBondContact O-CA 3.27Å; C160-A166 VanDerWaalsContact O-CB 3.3Å; C160-A166 WeakPolarHBondContact O-CB 3.21Å; L162-A166 PolarHBondContact O-N 3.23Å; A166-I168 PolarHBondContact O-N 3.15Å; A166-Q170 WeakPolarHBondContact O-CB 3.36Å; A166-Q170 PolarHBondContact O-N 3.38Å
167	K	56.3	Low	54.8	Low	164 Å²	164	79.3 Å²	79.3	71%	0.713	42%	0.424	S	S	*	.	H	α-helix	trans	-65.1	-38.4	177.2	-67.1	-173.5	178.3	-176.6	0	112.8	L165 K171	L165-K167 VanDerWaalsContact C-N 3.31Å; L165-K167 PolarHBondContact O-N 3.28Å; K167-K171 PolarHBondContact O-N 3.26Å
168	I	56.5	Low	56.8	Low	84 Å²	84	81.6 Å²	81.6	43%	0.431	43%	0.429	S	S	.	.	H	α-helix	trans	-71.1	-48.6	179.5	-60.5	174.5	0	0	0	109.9	L165 A166 Q170 K171 I172	L165-I168 HydrophobicContact CD2-CD1 4.46Å; L165-I168 PolarHBondContact O-N 2.78Å; A166-I168 PolarHBondContact O-N 3.15Å; I168-Q170 VanDerWaalsContact C-N 3.3Å; I168-Q170 PolarHBondContact O-N 3.42Å; I168-K171 PolarHBondContact O-N 2.92Å; I168-I172 HydrophobicContact CG2-CD1 3.87Å; I168-I172 HydrophobicContact CG2-CG1 4.47Å; I168-I172 WeakPolarHBondContact O-CG1 3.44Å; I168-I172 PolarHBondContact O-N 3.21Å
169	C	59.7	Low	58.9	Low	29 Å²	29	78.2 Å²	78.2	20%	0.196	41%	0.411	C	S	.	.	H	α-helix	trans	-55.3	-44	172.3	-74.2	0	0	0	0	112	C160 L165 I172 K173	C160-C169 VanDerWaalsContact CA-SG 3.52Å; C160-C169 HydrophobicContact CB-CB 3.47Å; C160-C169 VanDerWaalsContact CB-CB 3.47Å; C160-C169 WeakPolarHBondContact CB-SG 3.04Å; C160-C169 WeakPolarHBondContact SG-CB 3.46Å; C160-C169 CovalentContact SG-SG 2.03Å; C160-C169 PolarHBondContact SG-SG 3.34Å; L165-C169 WeakPolarHBondContact O-CB 3.43Å; L165-C169 PolarHBondContact O-N 2.9Å; L165-C169 PolarHBondContact O-SG 3.12Å; C169-I172 PolarHBondContact O-N 3.12Å; C169-K173 WeakPolarHBondContact O-CB 3.33Å; C169-K173 PolarHBondContact O-N 3.04Å
170	Q	65	Low	61.3	Low	137 Å²	137	77.5 Å²	77.5	64%	0.64	41%	0.409	S	S	*	.	H	α-helix	trans	-63.6	-42.7	177.9	-173.1	178.1	6.8	0	0	111.4	A166 I168 K173 L174	A166-Q170 WeakPolarHBondContact O-CB 3.36Å; A166-Q170 PolarHBondContact O-N 3.38Å; I168-Q170 VanDerWaalsContact C-N 3.3Å; I168-Q170 PolarHBondContact O-N 3.42Å; Q170-K173 PolarHBondContact O-N 3.35Å; Q170-L174 VanDerWaalsContact O-CB 3.28Å; Q170-L174 WeakPolarHBondContact O-CB 3.43Å; Q170-L174 PolarHBondContact O-N 3.27Å
171	K	60.8	Low	63.7	Low	120 Å²	120	76.1 Å²	76.1	52%	0.522	40%	0.399	S	S	.	.	H	α-helix	trans	-68.1	-39.4	176.8	-169	-179	179.5	-179.3	0	112.3	K167 I168 A175 F182	K167-K171 PolarHBondContact O-N 3.26Å; I168-K171 PolarHBondContact O-N 2.92Å; K171-A175 WeakPolarHBondContact O-CB 3.03Å; K171-A175 PolarHBondContact O-N 2.99Å; K171-F182 HydrophobicContact CB-CE2 3.87Å; K171-F182 HydrophobicContact CD-CD2 4.43Å; K171-F182 HydrophobicContact CD-CE2 3.84Å; K171-F182 HydrophobicContact CD-CZ 4.46Å; K171-F182 HydrophobicContact CG-CD2 4.06Å; K171-F182 HydrophobicContact CG-CE2 3.64Å
172	I	60.7	Low	65.6	Low	57 Å²	57	74.2 Å²	74.2	29%	0.292	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-49.8	173.5	-68.5	168.9	0	0	0	110.1	I168 C169 L174 A175 M176 F182	I168-I172 HydrophobicContact CG2-CD1 3.87Å; I168-I172 HydrophobicContact CG2-CG1 4.47Å; I168-I172 WeakPolarHBondContact O-CG1 3.44Å; I168-I172 PolarHBondContact O-N 3.21Å; C169-I172 PolarHBondContact O-N 3.12Å; I172-L174 PolarHBondContact O-N 2.87Å; I172-A175 PolarHBondContact O-N 3.45Å; I172-M176 HydrophobicContact CG2-CG 4.47Å; I172-M176 HydrophobicContact CG2-SD 3.86Å; I172-M176 WeakPolarHBondContact O-CG 3.3Å; I172-M176 PolarHBondContact O-N 3.43Å; I172-F182 HydrophobicContact CB-CD2 4.49Å; I172-F182 HydrophobicContact CB-CE2 4.4Å; I172-F182 HydrophobicContact CG1-CD2 3.88Å; I172-F182 HydrophobicContact CG1-CE2 3.51Å; I172-F182 HydrophobicContact CG1-CZ 3.9Å
173	K	66	Low	67.7	Low	109 Å²	109	74.2 Å²	74.2	47%	0.474	38%	0.377	S	S	.	.	H	α-helix	trans	-59.3	-44.9	178.6	179.8	173.2	174.2	178.3	0	111.5	C169 Q170 M176 E177	C169-K173 WeakPolarHBondContact O-CB 3.33Å; C169-K173 PolarHBondContact O-N 3.04Å; Q170-K173 PolarHBondContact O-N 3.35Å; K173-M176 PolarHBondContact O-N 3.05Å; K173-E177 WeakPolarHBondContact CE-OE1 3.44Å; K173-E177 HydrophobicContact CG-CG 4.28Å; K173-E177 IonicContact NZ-OE1 2.74Å; K173-E177 VanDerWaalsContact O-CB 3.24Å; K173-E177 WeakPolarHBondContact O-CB 3.41Å; K173-E177 VanDerWaalsContact O-CG 3.27Å; K173-E177 WeakPolarHBondContact O-CG 3.44Å; K173-E177 PolarHBondContact O-N 2.86Å
174	L	67.8	Low	69.9	Low	80 Å²	80	70.2 Å²	70.2	42%	0.419	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-47.2	177.2	-165.8	93	0	0	0	111.7	Q170 I172 M176 E177 Q178	Q170-L174 VanDerWaalsContact O-CB 3.28Å; Q170-L174 WeakPolarHBondContact O-CB 3.43Å; Q170-L174 PolarHBondContact O-N 3.27Å; I172-L174 PolarHBondContact O-N 2.87Å; L174-M176 PolarHBondContact O-N 2.94Å; L174-E177 CarbonylContact O-C 3.47Å; L174-E177 PolarHBondContact O-N 2.89Å; L174-Q178 HydrophobicContact CG-CG 4.42Å; L174-Q178 VanDerWaalsContact O-CB 3.28Å; L174-Q178 WeakPolarHBondContact O-CB 3.29Å; L174-Q178 WeakPolarHBondContact O-CG 3.32Å; L174-Q178 PolarHBondContact O-N 3.38Å
175	A	63.1	Low	72.3	Confident	9 Å²	9	69.4 Å²	69.4	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-44.4	178.3	0	0	0	0	0	112	K171 I172 Q178 S179 V180 F182	K171-A175 WeakPolarHBondContact O-CB 3.03Å; K171-A175 PolarHBondContact O-N 2.99Å; I172-A175 PolarHBondContact O-N 3.45Å; A175-Q178 PolarHBondContact O-N 3Å; A175-S179 PolarHBondContact O-N 2.9Å; A175-V180 PolarHBondContact O-N 3.49Å; A175-F182 HydrophobicContact CB-CB 4.07Å; A175-F182 HydrophobicContact CB-CD2 4.29Å
176	M	67.2	Low	74.8	Confident	70 Å²	70	67.6 Å²	67.6	35%	0.345	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-37.6	173.9	-67.3	179	73.6	0	0	112.5	I172 K173 L174 Q178 E295 R339	I172-M176 HydrophobicContact CG2-CG 4.47Å; I172-M176 HydrophobicContact CG2-SD 3.86Å; I172-M176 WeakPolarHBondContact O-CG 3.3Å; I172-M176 PolarHBondContact O-N 3.43Å; K173-M176 PolarHBondContact O-N 3.05Å; L174-M176 PolarHBondContact O-N 2.94Å; M176-Q178 VanDerWaalsContact C-N 3.29Å; M176-Q178 PolarHBondContact O-N 3.13Å; M176-E295 HydrophobicContact CE-CG 3.85Å; M176-R339 PolarHBondContact O-NH1 3.17Å; M176-R339 PolarHBondContact O-NH2 3.28Å; M176-R339 VanDerWaalsContact O-NH2 3.1Å
177	E	75.3	Confident	76.6	Confident	103 Å²	103	70.2 Å²	70.2	48%	0.481	35%	0.352	S	S	.	.	H	α-helix	trans	-69.7	-24.9	175.2	-79.1	177.4	166.8	0	0	112.6	K173 L174 R339	K173-E177 WeakPolarHBondContact CE-OE1 3.44Å; K173-E177 HydrophobicContact CG-CG 4.28Å; K173-E177 IonicContact NZ-OE1 2.74Å; K173-E177 VanDerWaalsContact O-CB 3.24Å; K173-E177 WeakPolarHBondContact O-CB 3.41Å; K173-E177 VanDerWaalsContact O-CG 3.27Å; K173-E177 WeakPolarHBondContact O-CG 3.44Å; K173-E177 PolarHBondContact O-N 2.86Å; L174-E177 CarbonylContact O-C 3.47Å; L174-E177 PolarHBondContact O-N 2.89Å; E177-R339 PolarHBondContact O-NH1 3.14Å; E177-R339 VanDerWaalsContact O-NH1 3.09Å; E177-R339 PolarHBondContact O-NH2 3.03Å
178	Q	77.5	Confident	78.5	Confident	96 Å²	96	62.9 Å²	62.9	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-103.8	-8.7	-177.5	-70.1	178.4	-22.2	0	0	115.6	L174 A175 M176 V180 R339 S353	L174-Q178 HydrophobicContact CG-CG 4.42Å; L174-Q178 VanDerWaalsContact O-CB 3.28Å; L174-Q178 WeakPolarHBondContact O-CB 3.29Å; L174-Q178 WeakPolarHBondContact O-CG 3.32Å; L174-Q178 PolarHBondContact O-N 3.38Å; A175-Q178 PolarHBondContact O-N 3Å; M176-Q178 VanDerWaalsContact C-N 3.29Å; M176-Q178 PolarHBondContact O-N 3.13Å; Q178-V180 HydrophobicContact CB-CG2 3.92Å; Q178-V180 PolarHBondContact O-N 3.41Å; Q178-R339 VanDerWaalsContact C-NH2 3.31Å; Q178-S353 VanDerWaalsContact O-CB 3.3Å; Q178-S353 WeakPolarHBondContact O-CB 3.35Å
179	S	88.1	Confident	80.5	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.014	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	23.5	-177.2	-73.2	0	0	0	0	115	A175 R202 R339 S353	A175-S179 PolarHBondContact O-N 2.9Å; S179-R202 PolarHBondContact O-NH2 3.46Å; S179-R339 VanDerWaalsContact OG-CZ 3.27Å; S179-R339 PolarHBondContact OG-NE 2.76Å; S179-R339 PolarHBondContact OG-NH2 2.82Å; S179-S353 WeakPolarHBondContact CB-OG 3.18Å
180	V	91.3	Very high	82.3	Confident	29 Å²	29	60.2 Å²	60.2	18%	0.176	30%	0.302	C	S	.	.	S	Bend	trans	-108.7	154.4	175.9	-63.5	0	0	0	0	110.1	A175 Q178 K189 R197	A175-V180 PolarHBondContact O-N 3.49Å; Q178-V180 HydrophobicContact CB-CG2 3.92Å; Q178-V180 PolarHBondContact O-N 3.41Å; V180-K189 HydrophobicContact CG1-CD 4.27Å; V180-K189 HydrophobicContact CG1-CG 4.25Å; V180-R197 WeakPolarHBondContact O-CB 3.45Å
181	P	93.1	Very high	83.9	Confident	8 Å²	8	53.8 Å²	53.8	5%	0.052	27%	0.272	C	S	.	.			trans	-61.3	141.3	-176.2	-14.8	27.7	0	0	0	111.9	K183 D184 K189 Y190 L196 R197	P181-K183 VanDerWaalsContact C-N 3.26Å; P181-K183 PolarHBondContact O-N 3.25Å; P181-D184 HydrophobicContact CB-CB 4.03Å; P181-D184 HydrophobicContact CG-CB 4.34Å; P181-K189 WeakPolarHBondContact CD-O 3.31Å; P181-K189 VanDerWaalsContact CG-O 3.29Å; P181-K189 WeakPolarHBondContact CG-O 3.3Å; P181-Y190 WeakPolarHBondContact CG-O 3.31Å; P181-L196 WeakPolarHBondContact CA-O 3.46Å; P181-R197 WeakPolarHBondContact CG-O 3.45Å
182	F	89.1	Confident	85.6	Confident	41 Å²	41	50.7 Å²	50.7	18%	0.18	26%	0.263	C	S	.	.	S	Bend	trans	-71.2	-25.4	174.2	173.8	-102.9	0	0	0	112.7	K171 I172 A175 L196	K171-F182 HydrophobicContact CB-CE2 3.87Å; K171-F182 HydrophobicContact CD-CD2 4.43Å; K171-F182 HydrophobicContact CD-CE2 3.84Å; K171-F182 HydrophobicContact CD-CZ 4.46Å; K171-F182 HydrophobicContact CG-CD2 4.06Å; K171-F182 HydrophobicContact CG-CE2 3.64Å; I172-F182 HydrophobicContact CB-CD2 4.49Å; I172-F182 HydrophobicContact CB-CE2 4.4Å; I172-F182 HydrophobicContact CG1-CD2 3.88Å; I172-F182 HydrophobicContact CG1-CE2 3.51Å; I172-F182 HydrophobicContact CG1-CZ 3.9Å; A175-F182 HydrophobicContact CB-CB 4.07Å; A175-F182 HydrophobicContact CB-CD2 4.29Å; F182-L196 HydrophobicContact CB-CB 3.82Å; F182-L196 HydrophobicContact CB-CD1 4.17Å; F182-L196 HydrophobicContact CD1-CD1 3.93Å; F182-L196 HydrophobicContact CG-CD1 4.26Å; F182-L196 PolarHBondContact N-O 3.08Å
183	K	90	Very high	87.3	Confident	95 Å²	95	52.2 Å²	52.2	41%	0.413	27%	0.268	S	S	.	.	S	Bend	trans	-119.9	104	175.7	-70.7	-167.2	173.5	-165.1	0	108.7	P181 S191 F193	P181-K183 VanDerWaalsContact C-N 3.26Å; P181-K183 PolarHBondContact O-N 3.25Å; K183-S191 VanDerWaalsContact O-CB 3.28Å; K183-S191 WeakPolarHBondContact O-CB 3.21Å; K183-S191 PolarHBondContact O-OG 3.07Å; K183-F193 HydrophobicContact CB-CB 4.32Å; K183-F193 HydrophobicContact CB-CD2 3.69Å; K183-F193 HydrophobicContact CB-CE2 4.37Å; K183-F193 HydrophobicContact CB-CG 4.15Å; K183-F193 HydrophobicContact CD-CB 4.33Å; K183-F193 HydrophobicContact CD-CD1 3.8Å; K183-F193 HydrophobicContact CD-CD2 3.27Å; K183-F193 HydrophobicContact CD-CE1 3.91Å; K183-F193 HydrophobicContact CD-CE2 3.38Å; K183-F193 HydrophobicContact CD-CG 3.5Å; K183-F193 HydrophobicContact CD-CZ 3.72Å; K183-F193 HydrophobicContact CG-CD2 4.14Å; K183-F193 HydrophobicContact CG-CG 4.42Å; K183-F193 VanDerWaalsContact NZ-CE1 3.26Å
184	D	93.3	Very high	88.8	Confident	25 Å²	25	48.9 Å²	48.9	13%	0.134	26%	0.257	C	S	.	.			trans	-164.2	112.2	-171	171.5	-4.5	0	0	0	101.8	P181 S187 D188 K189	P181-D184 HydrophobicContact CB-CB 4.03Å; P181-D184 HydrophobicContact CG-CB 4.34Å; D184-S187 WeakPolarHBondContact OD1-CA 3.32Å; D184-S187 PolarHBondContact OD1-N 3.01Å; D184-D188 PolarHBondContact OD1-N 3.27Å; D184-K189 VanDerWaalsContact OD2-CA 3.23Å; D184-K189 WeakPolarHBondContact OD2-CA 3.27Å; D184-K189 PolarHBondContact OD2-N 3.19Å; D184-K189 VanDerWaalsContact OD2-N 3.13Å
185	V	95.6	Very high	90	Very high	103 Å²	103	46.1 Å²	46.1	62%	0.624	24%	0.244	S	C	*	.	S	Bend	trans	-96.6	-39.4	-168	174.2	0	0	0	0	110.8	D208	V185-D208 WeakPolarHBondContact CB-O 3.41Å; V185-D208 WeakPolarHBondContact CB-OD1 3.42Å; V185-D208 PolarHBondContact N-OD1 3.28Å
186	D	96.4	Very high	91.4	Very high	23 Å²	23	48 Å²	48	12%	0.123	25%	0.252	C	S	.	.	S	Bend	trans	-93.6	-8.9	178.2	57.4	40	0	0	0	113.9	D188 S209 D210 E211	D186-D188 WeakPolarHBondContact OD1-CB 3.34Å; D186-D188 PolarHBondContact OD1-N 3.21Å; D186-D188 VanDerWaalsContact OD1-N 3.14Å; D186-S209 PolarHBondContact OD2-N 3.06Å; D186-D210 PolarHBondContact OD2-N 3.41Å; D186-E211 HydrophobicContact CB-CB 4.16Å
187	S	95.9	Very high	92.7	Very high	91 Å²	91	44.9 Å²	44.9	64%	0.636	24%	0.237	S	C	*	.			trans	74.6	24.6	176.6	-49.5	0	0	0	0	115.6	D184 K189	D184-S187 WeakPolarHBondContact OD1-CA 3.32Å; D184-S187 PolarHBondContact OD1-N 3.01Å; S187-K189 PolarHBondContact O-N 3.04Å
188	D	96.6	Very high	93.8	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.048	22%	0.215	C	C	.	.	S	Bend	trans	-72.1	-9	175.7	82.4	-19.6	0	0	0	114.7	D184 D186 Y190 Y214 S355	D184-D188 PolarHBondContact OD1-N 3.27Å; D186-D188 WeakPolarHBondContact OD1-CB 3.34Å; D186-D188 PolarHBondContact OD1-N 3.21Å; D186-D188 VanDerWaalsContact OD1-N 3.14Å; D188-Y190 HydrophobicContact CB-CD2 4.49Å; D188-Y190 WeakPolarHBondContact OD1-CA 3.45Å; D188-Y190 WeakPolarHBondContact OD1-CB 3.49Å; D188-Y190 PolarHBondContact OD1-N 3.22Å; D188-Y190 WeakPolarHBondContact OD2-CB 3.43Å; D188-Y190 VanDerWaalsContact OD2-CD2 3.25Å; D188-Y190 WeakPolarHBondContact OD2-CD2 3.49Å; D188-Y214 HydrophobicContact CB-CD1 4.17Å; D188-Y214 WeakPolarHBondContact OD2-CB 3.5Å; D188-S355 PolarHBondContact O-OG 3.22Å
189	K	97.5	Very high	94.8	Very high	57 Å²	57	37.6 Å²	37.6	25%	0.248	20%	0.202	C	C	.	.	S	Bend	trans	75.1	12.7	-175.4	-40.8	176.4	-161.3	175.1	0	115.4	V180 P181 D184 S187 R202 E352 S353 L354	V180-K189 HydrophobicContact CG1-CD 4.27Å; V180-K189 HydrophobicContact CG1-CG 4.25Å; P181-K189 WeakPolarHBondContact CD-O 3.31Å; P181-K189 VanDerWaalsContact CG-O 3.29Å; P181-K189 WeakPolarHBondContact CG-O 3.3Å; D184-K189 VanDerWaalsContact OD2-CA 3.23Å; D184-K189 WeakPolarHBondContact OD2-CA 3.27Å; D184-K189 PolarHBondContact OD2-N 3.19Å; D184-K189 VanDerWaalsContact OD2-N 3.13Å; S187-K189 PolarHBondContact O-N 3.04Å; K189-R202 WeakPolarHBondContact O-CD 3.45Å; K189-R202 VanDerWaalsContact O-CZ 3.32Å; K189-R202 PolarHBondContact O-NE 3.11Å; K189-R202 VanDerWaalsContact O-NE 3.11Å; K189-R202 PolarHBondContact O-NH1 3.2Å; K189-E352 PolarHBondContact NZ-O 3.46Å; K189-S353 VanDerWaalsContact CD-O 3.26Å; K189-S353 WeakPolarHBondContact CD-O 3.43Å; K189-L354 PolarHBondContact NZ-O 3.02Å
190	Y	98.4	Very high	95.3	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	21%	0.205	C	C	.	.			trans	-107.6	-176.6	169.7	-61.6	-89.8	0	0	0	110	P181 D188 R202 G203 Y214 P215 Q335	P181-Y190 WeakPolarHBondContact CG-O 3.31Å; D188-Y190 HydrophobicContact CB-CD2 4.49Å; D188-Y190 WeakPolarHBondContact OD1-CA 3.45Å; D188-Y190 WeakPolarHBondContact OD1-CB 3.49Å; D188-Y190 PolarHBondContact OD1-N 3.22Å; D188-Y190 WeakPolarHBondContact OD2-CB 3.43Å; D188-Y190 VanDerWaalsContact OD2-CD2 3.25Å; D188-Y190 WeakPolarHBondContact OD2-CD2 3.49Å; Y190-R202 HydrophobicContact CD1-CB 3.59Å; Y190-R202 HydrophobicContact CD1-CG 4.45Å; Y190-R202 HydrophobicContact CE1-CB 3.81Å; Y190-G203 WeakPolarHBondContact CD1-O 3.47Å; Y190-Y214 HydrophobicContact CD2-CG 4.41Å; Y190-Y214 HydrophobicContact CE2-CD2 4.02Å; Y190-Y214 HydrophobicContact CE2-CG 4.15Å; Y190-P215 HydrophobicContact CD1-CB 4.25Å; Y190-P215 HydrophobicContact CD1-CG 3.81Å; Y190-P215 HydrophobicContact CE1-CB 3.76Å; Y190-P215 HydrophobicContact CE1-CG 3.87Å; Y190-P215 HydrophobicContact CG-CG 4.32Å; Y190-P215 PolarHBondContact OH-O 3.11Å; Y190-Q335 HydrophobicContact CE1-CG 4.21Å; Y190-Q335 PolarHBondContact OH-NE2 3.03Å
191	S	97.8	Very high	95.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-165.4	147.4	-171.7	-170.2	0	0	0	0	113.9	K183 F193 R204 D205	K183-S191 VanDerWaalsContact O-CB 3.28Å; K183-S191 WeakPolarHBondContact O-CB 3.21Å; K183-S191 PolarHBondContact O-OG 3.07Å; S191-F193 VanDerWaalsContact C-N 3.34Å; S191-F193 PolarHBondContact OG-N 3.27Å; S191-R204 WeakPolarHBondContact O-CG 3.2Å; S191-D205 PolarHBondContact O-N 2.94Å
192	V	97.7	Very high	95.9	Very high	55 Å²	55	36.9 Å²	36.9	33%	0.333	20%	0.195	S	C	.	.	S	Bend	trans	-80.6	-9.4	164.8	-61.2	0	0	0	0	113.9	Y199 D208	V192-Y199 WeakPolarHBondContact O-CD1 3.3Å; V192-Y199 VanDerWaalsContact O-CE1 3.27Å; V192-Y199 WeakPolarHBondContact O-CE1 3.28Å; V192-D208 HydrophobicContact CG1-CB 3.92Å; V192-D208 HydrophobicContact CG2-CB 4.43Å; V192-D208 WeakPolarHBondContact CG2-OD2 3.4Å
193	F	96.4	Very high	96.3	Very high	90 Å²	90	34.9 Å²	34.9	40%	0.395	19%	0.187	S	C	.	.	S	Bend	trans	-98.6	146.7	178.8	-75.6	-92.7	0	0	0	112.6	K183 S191 G198 Y199	K183-F193 HydrophobicContact CB-CB 4.32Å; K183-F193 HydrophobicContact CB-CD2 3.69Å; K183-F193 HydrophobicContact CB-CE2 4.37Å; K183-F193 HydrophobicContact CB-CG 4.15Å; K183-F193 HydrophobicContact CD-CB 4.33Å; K183-F193 HydrophobicContact CD-CD1 3.8Å; K183-F193 HydrophobicContact CD-CD2 3.27Å; K183-F193 HydrophobicContact CD-CE1 3.91Å; K183-F193 HydrophobicContact CD-CE2 3.38Å; K183-F193 HydrophobicContact CD-CG 3.5Å; K183-F193 HydrophobicContact CD-CZ 3.72Å; K183-F193 HydrophobicContact CG-CD2 4.14Å; K183-F193 HydrophobicContact CG-CG 4.42Å; K183-F193 VanDerWaalsContact NZ-CE1 3.26Å; S191-F193 VanDerWaalsContact C-N 3.34Å; S191-F193 PolarHBondContact OG-N 3.27Å; F193-G198 CarbonylContact O-C 3.54Å; F193-G198 VanDerWaalsContact O-CA 3.28Å; F193-G198 WeakPolarHBondContact O-CA 3.27Å; F193-Y199 VanDerWaalsContact C-CE1 3.46Å; F193-Y199 WeakPolarHBondContact O-CD1 3.42Å; F193-Y199 PolarHBondContact O-N 3Å
194	P	97	Very high	96.7	Very high	38 Å²	38	35.5 Å²	35.5	25%	0.247	19%	0.186	C	C	.	.	S	Bend	trans	-72.5	-57.7	-172.3	21.1	-29	0	0	0	114.1	G198 Y199 H200	P194-G198 CarbonylContact O-C 3.59Å; P194-G198 VanDerWaalsContact O-C 3.23Å; P194-Y199 VanDerWaalsContact CA-CE1 3.5Å; P194-Y199 HydrophobicContact CB-CD1 4.39Å; P194-Y199 HydrophobicContact CB-CE1 3.81Å; P194-Y199 HydrophobicContact CB-CE2 3.93Å; P194-Y199 HydrophobicContact CG-CE1 4.25Å; P194-Y199 VanDerWaalsContact N-CE1 3.29Å; P194-Y199 PolarHBondContact O-N 3.45Å; P194-H200 VanDerWaalsContact CB-CD2 3.47Å; P194-H200 WeakPolarHBondContact CB-CD2 3.37Å; P194-H200 VanDerWaalsContact CB-NE2 3.31Å; P194-H200 WeakPolarHBondContact CB-NE2 3.47Å; P194-H200 VanDerWaalsContact O-CB 3.26Å; P194-H200 WeakPolarHBondContact O-CB 3.42Å; P194-H200 PolarHBondContact O-N 3.24Å
195	T	93.2	Very high	97	Very high	23 Å²	23	34.5 Å²	34.5	14%	0.141	18%	0.181	C	C	.	.	S	Bend	trans	-96.4	-169.6	-169.9	61.2	0	0	0	0	111.5	R197 G198 T290 T293 N294	T195-R197 VanDerWaalsContact C-N 3.32Å; T195-R197 PolarHBondContact O-N 3.12Å; T195-G198 PolarHBondContact O-N 2.93Å; T195-T290 HydrophobicContact CG2-CG2 3.8Å; T195-T293 WeakPolarHBondContact CB-OG1 3.19Å; T195-T293 WeakPolarHBondContact CG2-OG1 3.37Å; T195-T293 WeakPolarHBondContact OG1-CB 3.33Å; T195-T293 PolarHBondContact OG1-OG1 2.81Å; T195-N294 VanDerWaalsContact CA-OD1 3.28Å; T195-N294 WeakPolarHBondContact CA-OD1 3.41Å; T195-N294 WeakPolarHBondContact CB-OD1 3.31Å; T195-N294 WeakPolarHBondContact CG2-OD1 3.45Å
196	L	92	Very high	97.1	Very high	48 Å²	48	32 Å²	32	25%	0.251	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	51.6	-176.1	-56.9	173.9	0	0	0	111.2	P181 F182 G198 T293	P181-L196 WeakPolarHBondContact CA-O 3.46Å; F182-L196 HydrophobicContact CB-CB 3.82Å; F182-L196 HydrophobicContact CB-CD1 4.17Å; F182-L196 HydrophobicContact CD1-CD1 3.93Å; F182-L196 HydrophobicContact CG-CD1 4.26Å; F182-L196 PolarHBondContact N-O 3.08Å; L196-G198 PolarHBondContact O-N 3.09Å; L196-T293 WeakPolarHBondContact CA-O 3.27Å; L196-T293 HydrophobicContact CD2-CG2 4.15Å; L196-T293 HydrophobicContact CG-CG2 4.44Å; L196-T293 PolarHBondContact N-O 3.48Å
197	R	95.3	Very high	97.2	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.019	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	8.6	-178.7	-60.3	-70.7	172.5	166.6	-8.5	117	V180 P181 T195 W201 E295 S338	V180-R197 WeakPolarHBondContact O-CB 3.45Å; P181-R197 WeakPolarHBondContact CG-O 3.45Å; T195-R197 VanDerWaalsContact C-N 3.32Å; T195-R197 PolarHBondContact O-N 3.12Å; R197-W201 VanDerWaalsContact CZ-CH2 3.45Å; R197-W201 VanDerWaalsContact CZ-CZ3 3.49Å; R197-W201 VanDerWaalsContact NH1-CE3 3.32Å; R197-E295 IonicContact CZ-OE1 3.67Å; R197-E295 VanDerWaalsContact CZ-OE1 3.3Å; R197-E295 IonicContact CZ-OE2 2.76Å; R197-E295 IonicContact NE-OE1 2.83Å; R197-E295 PolarHBondContact NE-OE1 3.38Å; R197-E295 IonicContact NE-OE2 2.71Å; R197-E295 IonicContact NH2-OE1 3.7Å; R197-E295 PolarHBondContact NH2-OE1 3.18Å; R197-E295 IonicContact NH2-OE2 3.33Å; R197-E295 PolarHBondContact NH2-OE2 3.18Å; R197-S338 PolarHBondContact NH1-O 2.95Å; R197-S338 PolarHBondContact NH2-O 3.23Å
198	G	96.6	Very high	97.3	Very high	2 Å²	2	30 Å²	30	2%	0.021	15%	0.15	C	C	.	.	S	Bend	trans	-76.8	-147.7	174	0	0	0	0	0	115.5	F193 P194 T195 L196 H200 W201 R202	F193-G198 CarbonylContact O-C 3.54Å; F193-G198 VanDerWaalsContact O-CA 3.28Å; F193-G198 WeakPolarHBondContact O-CA 3.27Å; P194-G198 CarbonylContact O-C 3.59Å; P194-G198 VanDerWaalsContact O-C 3.23Å; T195-G198 PolarHBondContact O-N 2.93Å; L196-G198 PolarHBondContact O-N 3.09Å; G198-H200 PolarHBondContact O-N 2.94Å; G198-W201 WeakPolarHBondContact O-CA 3.4Å; G198-W201 VanDerWaalsContact O-CB 3.29Å; G198-W201 WeakPolarHBondContact O-CB 3.48Å; G198-W201 PolarHBondContact O-N 2.89Å; G198-R202 PolarHBondContact O-N 3.06Å
199	Y	98.4	Very high	97.3	Very high	44 Å²	44	34.1 Å²	34.1	17%	0.173	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.3	-164.6	76.4	-108.5	0	0	0	117	V192 F193 P194 W201 R202 R204 F307 Y334	V192-Y199 WeakPolarHBondContact O-CD1 3.3Å; V192-Y199 VanDerWaalsContact O-CE1 3.27Å; V192-Y199 WeakPolarHBondContact O-CE1 3.28Å; F193-Y199 VanDerWaalsContact C-CE1 3.46Å; F193-Y199 WeakPolarHBondContact O-CD1 3.42Å; F193-Y199 PolarHBondContact O-N 3Å; P194-Y199 VanDerWaalsContact CA-CE1 3.5Å; P194-Y199 HydrophobicContact CB-CD1 4.39Å; P194-Y199 HydrophobicContact CB-CE1 3.81Å; P194-Y199 HydrophobicContact CB-CE2 3.93Å; P194-Y199 HydrophobicContact CG-CE1 4.25Å; P194-Y199 VanDerWaalsContact N-CE1 3.29Å; P194-Y199 PolarHBondContact O-N 3.45Å; Y199-W201 PolarHBondContact O-N 3.26Å; Y199-R202 CarbonylContact C-O 3.28Å; Y199-R202 VanDerWaalsContact C-O 3.31Å; Y199-R202 WeakPolarHBondContact CA-O 3.03Å; Y199-R204 HydrophobicContact CD1-CB 4.29Å; Y199-R204 HydrophobicContact CD1-CG 3.76Å; Y199-R204 VanDerWaalsContact CE1-NH2 3.3Å; Y199-R204 HydrophobicContact CG-CB 3.97Å; Y199-R204 HydrophobicContact CG-CG 3.96Å; Y199-R204 PolarHBondContact OH-NH2 3.04Å; Y199-R204 VanDerWaalsContact OH-NH2 3.1Å; Y199-F307 HydrophobicContact CD2-CZ 4.01Å; Y199-F307 HydrophobicContact CE2-CZ 4.33Å; Y199-F307 WeakPolarHBondContact O-CE1 3.31Å; Y199-Y334 PolarHBondContact O-OH 3.21Å
200	H	98.6	Very high	97.4	Very high	18 Å²	18	33.8 Å²	33.8	8%	0.083	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.4	164	-75.7	-169.8	0	0	0	111.5	P194 G198 N294 P299 Q300	P194-H200 VanDerWaalsContact CB-CD2 3.47Å; P194-H200 WeakPolarHBondContact CB-CD2 3.37Å; P194-H200 VanDerWaalsContact CB-NE2 3.31Å; P194-H200 WeakPolarHBondContact CB-NE2 3.47Å; P194-H200 VanDerWaalsContact O-CB 3.26Å; P194-H200 WeakPolarHBondContact O-CB 3.42Å; P194-H200 PolarHBondContact O-N 3.24Å; G198-H200 PolarHBondContact O-N 2.94Å; H200-N294 PolarHBondContact ND1-ND2 3.05Å; H200-N294 VanDerWaalsContact ND1-ND2 3.2Å; H200-P299 HydrophobicContact CB-CG 4.23Å; H200-P299 CarbonylContact O-C 3.59Å; H200-P299 WeakPolarHBondContact O-CB 3.18Å; H200-P299 VanDerWaalsContact O-CG 3.31Å; H200-P299 WeakPolarHBondContact O-CG 3.26Å; H200-Q300 HydrophobicContact CB-CB 4.19Å; H200-Q300 PolarHBondContact ND1-OE1 3.19Å; H200-Q300 PolarHBondContact O-N 3.23Å
201	W	98.6	Very high	97.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-31.4	-174.9	-58.5	79	0	0	0	112.7	R197 G198 Y199 A266 N294 D297 P299 Q335 N336	R197-W201 VanDerWaalsContact CZ-CH2 3.45Å; R197-W201 VanDerWaalsContact CZ-CZ3 3.49Å; R197-W201 VanDerWaalsContact NH1-CE3 3.32Å; G198-W201 WeakPolarHBondContact O-CA 3.4Å; G198-W201 VanDerWaalsContact O-CB 3.29Å; G198-W201 WeakPolarHBondContact O-CB 3.48Å; G198-W201 PolarHBondContact O-N 2.89Å; Y199-W201 PolarHBondContact O-N 3.26Å; W201-A266 HydrophobicContact CH2-CB 4.46Å; W201-A266 HydrophobicContact CZ3-CB 4.2Å; W201-N294 HydrophobicContact CZ2-CB 4.47Å; W201-N294 WeakPolarHBondContact CZ2-O 3.09Å; W201-N294 PolarHBondContact NE1-OD1 3.13Å; W201-D297 HydrophobicContact CH2-CB 3.75Å; W201-D297 WeakPolarHBondContact CH2-OD2 3.46Å; W201-D297 HydrophobicContact CZ2-CB 4.15Å; W201-P299 HydrophobicContact CD2-CB 4.39Å; W201-P299 HydrophobicContact CD2-CG 3.64Å; W201-P299 HydrophobicContact CE3-CB 4.19Å; W201-P299 HydrophobicContact CE3-CG 3.85Å; W201-P299 HydrophobicContact CG-CG 4Å; W201-P299 HydrophobicContact CH2-CG 4.43Å; W201-P299 HydrophobicContact CZ2-CG 4.24Å; W201-P299 HydrophobicContact CZ3-CG 4.22Å; W201-Q335 CarbonylContact O-C 3.46Å; W201-N336 HydrophobicContact CE3-CB 4.48Å; W201-N336 WeakPolarHBondContact O-CB 3.29Å; W201-N336 PolarHBondContact O-N 2.98Å
202	R	98.7	Very high	97.3	Very high	3 Å²	3	42 Å²	42	1%	0.011	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-139.4	169.8	-176.9	-50.3	179.4	-165.6	-136.9	-2	110.8	S179 K189 Y190 G198 Y199 R204 Y334 Q335 S353	S179-R202 PolarHBondContact O-NH2 3.46Å; K189-R202 WeakPolarHBondContact O-CD 3.45Å; K189-R202 VanDerWaalsContact O-CZ 3.32Å; K189-R202 PolarHBondContact O-NE 3.11Å; K189-R202 VanDerWaalsContact O-NE 3.11Å; K189-R202 PolarHBondContact O-NH1 3.2Å; Y190-R202 HydrophobicContact CD1-CB 3.59Å; Y190-R202 HydrophobicContact CD1-CG 4.45Å; Y190-R202 HydrophobicContact CE1-CB 3.81Å; G198-R202 PolarHBondContact O-N 3.06Å; Y199-R202 CarbonylContact C-O 3.28Å; Y199-R202 VanDerWaalsContact C-O 3.31Å; Y199-R202 WeakPolarHBondContact CA-O 3.03Å; R202-R204 PolarHBondContact O-N 3.42Å; R202-Y334 VanDerWaalsContact C-CZ 3.43Å; R202-Y334 CarbonylContact C-O 3.55Å; R202-Y334 VanDerWaalsContact CA-O 3.23Å; R202-Y334 WeakPolarHBondContact CA-O 3.31Å; R202-Y334 WeakPolarHBondContact O-CE2 3.39Å; R202-Y334 VanDerWaalsContact O-CZ 3.26Å; R202-Y334 PolarHBondContact O-OH 3.44Å; R202-Y334 VanDerWaalsContact O-OH 3.1Å; R202-Q335 HydrophobicContact CB-CG 4.42Å; R202-Q335 HydrophobicContact CG-CB 4.41Å; R202-Q335 HydrophobicContact CG-CG 4.21Å; R202-S353 PolarHBondContact NH1-O 3Å; R202-S353 PolarHBondContact NH2-O 3.41Å
203	G	98.7	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.			trans	-44.4	138.1	167.9	0	0	0	0	0	112.4	Y190 D205 R332 Y334	Y190-G203 WeakPolarHBondContact CD1-O 3.47Å; G203-D205 PolarHBondContact O-N 3.09Å; G203-R332 WeakPolarHBondContact CA-O 3.43Å; G203-R332 PolarHBondContact N-O 3.02Å; G203-Y334 PolarHBondContact N-O 2.62Å
204	R	98.8	Very high	97.5	Very high	108 Å²	108	36 Å²	36	41%	0.408	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-68.4	124.3	170.7	-167.3	-164.3	-80.8	-174.9	-4.4	108	S191 Y199 R202 R332	S191-R204 WeakPolarHBondContact O-CG 3.2Å; Y199-R204 HydrophobicContact CD1-CB 4.29Å; Y199-R204 HydrophobicContact CD1-CG 3.76Å; Y199-R204 VanDerWaalsContact CE1-NH2 3.3Å; Y199-R204 HydrophobicContact CG-CB 3.97Å; Y199-R204 HydrophobicContact CG-CG 3.96Å; Y199-R204 PolarHBondContact OH-NH2 3.04Å; Y199-R204 VanDerWaalsContact OH-NH2 3.1Å; R202-R204 PolarHBondContact O-N 3.42Å; R204-R332 WeakPolarHBondContact O-CD 3.38Å; R204-R332 PolarHBondContact O-NH1 3.46Å
205	D	98.6	Very high	97.6	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	18%	0.179	C	C	.	.			trans	-60	146.3	168.5	159.7	45.2	0	0	0	110.8	S191 G203 N207 D208	S191-D205 PolarHBondContact O-N 2.94Å; G203-D205 PolarHBondContact O-N 3.09Å; D205-N207 PolarHBondContact OD1-N 2.74Å; D205-D208 WeakPolarHBondContact OD2-CA 3.14Å; D205-D208 WeakPolarHBondContact OD2-CB 3.48Å; D205-D208 PolarHBondContact OD2-N 3.47Å
206	C	98.5	Very high	97.8	Very high	51 Å²	51	33.3 Å²	33.3	35%	0.345	18%	0.175	S	C	.	.	S	Bend	trans	-102.7	-13.3	-179.5	55	0	0	0	0	113.2	V213 C230	C206-V213 WeakPolarHBondContact SG-CG1 3.49Å; C206-C230 HydrophobicContact CB-CB 3.75Å; C206-C230 WeakPolarHBondContact CB-SG 3.47Å; C206-C230 PolarHBondContact N-SG 3.43Å; C206-C230 WeakPolarHBondContact SG-CA 3.42Å; C206-C230 WeakPolarHBondContact SG-CB 3.22Å; C206-C230 CovalentContact SG-SG 2.05Å; C206-C230 PolarHBondContact SG-SG 2.76Å
207	N	97.9	Very high	98.1	Very high	52 Å²	52	32.7 Å²	32.7	28%	0.278	17%	0.169	S	C	.	.			trans	-155.4	74.2	-179.7	-171.5	35.2	0	0	0	113.7	D205 S209 D210 V213 Q226	D205-N207 PolarHBondContact OD1-N 2.74Å; N207-S209 PolarHBondContact O-N 3.41Å; N207-D210 WeakPolarHBondContact ND2-CB 3.34Å; N207-D210 PolarHBondContact O-N 3.39Å; N207-D210 VanDerWaalsContact O-N 3.11Å; N207-V213 HydrophobicContact CB-CB 4.2Å; N207-V213 HydrophobicContact CB-CG1 3.73Å; N207-Q226 PolarHBondContact ND2-NE2 3.5Å
208	D	97.5	Very high	98.3	Very high	21 Å²	21	37.9 Å²	37.9	11%	0.112	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	55.8	178.2	-163.8	9.7	0	0	0	112.7	V185 V192 D205	V185-D208 WeakPolarHBondContact CB-O 3.41Å; V185-D208 WeakPolarHBondContact CB-OD1 3.42Å; V185-D208 PolarHBondContact N-OD1 3.28Å; V192-D208 HydrophobicContact CG1-CB 3.92Å; V192-D208 HydrophobicContact CG2-CB 4.43Å; V192-D208 WeakPolarHBondContact CG2-OD2 3.4Å; D205-D208 WeakPolarHBondContact OD2-CA 3.14Å; D205-D208 WeakPolarHBondContact OD2-CB 3.48Å; D205-D208 PolarHBondContact OD2-N 3.47Å
209	S	97.9	Very high	98.3	Very high	95 Å²	95	38.8 Å²	38.8	66%	0.664	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-169.3	1.9	-173.1	-70.6	0	0	0	0	112.5	D186 N207	D186-S209 PolarHBondContact OD2-N 3.06Å; N207-S209 PolarHBondContact O-N 3.41Å
210	D	97.9	Very high	98.3	Very high	50 Å²	50	41.6 Å²	41.6	27%	0.267	21%	0.212	S	C	.	.			trans	-147.8	99.6	-178.4	-174.4	-17.1	0	0	0	109.8	D186 N207 S212 V213	D186-D210 PolarHBondContact OD2-N 3.41Å; N207-D210 WeakPolarHBondContact ND2-CB 3.34Å; N207-D210 PolarHBondContact O-N 3.39Å; N207-D210 VanDerWaalsContact O-N 3.11Å; D210-S212 PolarHBondContact O-N 2.95Å; D210-S212 WeakPolarHBondContact OD1-CA 3.39Å; D210-S212 VanDerWaalsContact OD1-CB 3.23Å; D210-S212 WeakPolarHBondContact OD1-CB 3.22Å; D210-S212 PolarHBondContact OD1-N 3.42Å; D210-S212 PolarHBondContact OD1-OG 3.25Å; D210-V213 HydrophobicContact CB-CB 4.37Å; D210-V213 HydrophobicContact CB-CG2 4.17Å; D210-V213 PolarHBondContact O-N 3.08Å
211	E	97.5	Very high	98.2	Very high	140 Å²	140	45.9 Å²	45.9	65%	0.654	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-6.1	179	61.7	161.3	-147.5	0	0	114.2	D186 Y214	D186-E211 HydrophobicContact CB-CB 4.16Å; E211-Y214 WeakPolarHBondContact O-CD1 3.33Å; E211-Y214 WeakPolarHBondContact O-CE1 3.07Å
212	S	97.7	Very high	98.2	Very high	34 Å²	34	49.3 Å²	49.3	24%	0.238	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	1.9	177.1	84.7	0	0	0	0	114.6	D210 R217	D210-S212 PolarHBondContact O-N 2.95Å; D210-S212 WeakPolarHBondContact OD1-CA 3.39Å; D210-S212 VanDerWaalsContact OD1-CB 3.23Å; D210-S212 WeakPolarHBondContact OD1-CB 3.22Å; D210-S212 PolarHBondContact OD1-N 3.42Å; D210-S212 PolarHBondContact OD1-OG 3.25Å; S212-R217 WeakPolarHBondContact O-CD 3.12Å; S212-R217 PolarHBondContact O-NE 3.45Å; S212-R217 PolarHBondContact O-NH1 3.41Å
213	V	98.6	Very high	98.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.248	C	C	.	.			trans	-122.3	98.1	-175.9	173	0	0	0	0	110.7	C206 N207 D210 D227 S228	C206-V213 WeakPolarHBondContact SG-CG1 3.49Å; N207-V213 HydrophobicContact CB-CB 4.2Å; N207-V213 HydrophobicContact CB-CG1 3.73Å; D210-V213 HydrophobicContact CB-CB 4.37Å; D210-V213 HydrophobicContact CB-CG2 4.17Å; D210-V213 PolarHBondContact O-N 3.08Å; V213-D227 WeakPolarHBondContact CG1-O 3.45Å; V213-S228 WeakPolarHBondContact CA-O 3.32Å
214	Y	98.8	Very high	98.2	Very high	18 Å²	18	50.9 Å²	50.9	7%	0.071	26%	0.259	C	S	.	.			trans	-157.7	156.1	-173.6	56	-107.3	0	0	0	116	D188 Y190 E211 G216 R217 S228 N229 D361	D188-Y214 HydrophobicContact CB-CD1 4.17Å; D188-Y214 WeakPolarHBondContact OD2-CB 3.5Å; Y190-Y214 HydrophobicContact CD2-CG 4.41Å; Y190-Y214 HydrophobicContact CE2-CD2 4.02Å; Y190-Y214 HydrophobicContact CE2-CG 4.15Å; E211-Y214 WeakPolarHBondContact O-CD1 3.33Å; E211-Y214 WeakPolarHBondContact O-CE1 3.07Å; Y214-G216 PolarHBondContact O-N 3.4Å; Y214-R217 HydrophobicContact CD2-CB 3.93Å; Y214-R217 HydrophobicContact CE2-CB 3.79Å; Y214-R217 HydrophobicContact CE2-CG 4.06Å; Y214-R217 WeakPolarHBondContact O-CB 3.49Å; Y214-R217 PolarHBondContact O-N 3.2Å; Y214-R217 PolarHBondContact OH-NH1 3.15Å; Y214-S228 PolarHBondContact N-O 3.42Å; Y214-N229 CarbonylContact O-C 3.54Å; Y214-N229 VanDerWaalsContact O-CA 3.32Å; Y214-N229 WeakPolarHBondContact O-CA 3.33Å; Y214-D361 WeakPolarHBondContact CE2-OD1 3.28Å; Y214-D361 PolarHBondContact OH-OD1 2.93Å
215	P	98.8	Very high	98.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	121.9	178.2	-29.3	35.9	0	0	0	115.2	Y190 N229 C230 R332	Y190-P215 HydrophobicContact CD1-CB 4.25Å; Y190-P215 HydrophobicContact CD1-CG 3.81Å; Y190-P215 HydrophobicContact CE1-CB 3.76Å; Y190-P215 HydrophobicContact CE1-CG 3.87Å; Y190-P215 HydrophobicContact CG-CG 4.32Å; Y190-P215 PolarHBondContact OH-O 3.11Å; P215-N229 VanDerWaalsContact CA-O 3.28Å; P215-N229 WeakPolarHBondContact CA-O 3.39Å; P215-C230 HydrophobicContact CG-CB 4.1Å; P215-R332 HydrophobicContact CB-CB 4.18Å; P215-R332 HydrophobicContact CG-CB 4.15Å
216	G	98.3	Very high	98.1	Very high	5 Å²	5	56.9 Å²	56.9	5%	0.052	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	4.6	172.4	0	0	0	0	0	116.4	Y214 N229 D333 Y362	Y214-G216 PolarHBondContact O-N 3.4Å; G216-N229 PolarHBondContact N-O 2.86Å; G216-D333 WeakPolarHBondContact CA-OD2 3.36Å; G216-Y362 PolarHBondContact O-N 3.3Å
217	R	98.6	Very high	98.1	Very high	35 Å²	35	55.4 Å²	55.4	13%	0.132	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-62.5	155.3	165.5	-160.8	-174	173.9	100.1	-12.2	111.1	S212 Y214 N229 Y362	S212-R217 WeakPolarHBondContact O-CD 3.12Å; S212-R217 PolarHBondContact O-NE 3.45Å; S212-R217 PolarHBondContact O-NH1 3.41Å; Y214-R217 HydrophobicContact CD2-CB 3.93Å; Y214-R217 HydrophobicContact CE2-CB 3.79Å; Y214-R217 HydrophobicContact CE2-CG 4.06Å; Y214-R217 WeakPolarHBondContact O-CB 3.49Å; Y214-R217 PolarHBondContact O-N 3.2Å; Y214-R217 PolarHBondContact OH-NH1 3.15Å; R217-N229 HydrophobicContact CB-CB 4.23Å; R217-N229 WeakPolarHBondContact O-CB 3.49Å; R217-Y362 VanDerWaalsContact O-CD2 3.29Å; R217-Y362 WeakPolarHBondContact O-CD2 3.4Å; R217-Y362 VanDerWaalsContact O-CE2 3.31Å; R217-Y362 WeakPolarHBondContact O-CE2 3.48Å
218	R	98.5	Very high	98.1	Very high	114 Å²	114	53 Å²	53	43%	0.43	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-73.6	139.7	164.9	-65.5	166.4	-171.8	-113.2	-4	109.7	N220 L360 D361 Y362	R218-N220 PolarHBondContact O-N 2.71Å; R218-L360 WeakPolarHBondContact CB-O 3.08Å; R218-L360 WeakPolarHBondContact CD-O 3.12Å; R218-L360 WeakPolarHBondContact CG-O 3.38Å; R218-L360 PolarHBondContact N-O 2.82Å; R218-D361 PolarHBondContact NE-O 2.86Å; R218-D361 PolarHBondContact NH2-O 2.9Å; R218-Y362 HydrophobicContact CG-CD1 4.32Å; R218-Y362 HydrophobicContact CG-CD2 4.33Å; R218-Y362 HydrophobicContact CG-CE1 4.25Å; R218-Y362 HydrophobicContact CG-CE2 4.29Å; R218-Y362 HydrophobicContact CG-CG 4.35Å
219	P	98.1	Very high	98.2	Very high	20 Å²	20	52.2 Å²	52.2	13%	0.13	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-65.4	130.8	-173.1	27.8	-36.6	0	0	0	112.2	N221 W222 D223 S228 E245 Y362	P219-N221 PolarHBondContact O-N 3.15Å; P219-W222 HydrophobicContact CG-CE3 3.98Å; P219-W222 HydrophobicContact CG-CZ3 4.34Å; P219-D223 VanDerWaalsContact C-OD1 3.31Å; P219-D223 WeakPolarHBondContact CA-OD1 3.05Å; P219-D223 HydrophobicContact CB-CB 4.36Å; P219-D223 VanDerWaalsContact CB-CG 3.5Å; P219-D223 WeakPolarHBondContact CB-OD1 3.05Å; P219-S228 WeakPolarHBondContact CA-OG 3.33Å; P219-E245 HydrophobicContact CB-CG 3.57Å; P219-E245 HydrophobicContact CG-CG 3.63Å; P219-Y362 WeakPolarHBondContact CD-OH 2.93Å
220	N	97.6	Very high	98.2	Very high	103 Å²	103	47.7 Å²	47.7	55%	0.551	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-74.2	110	178.2	-173.7	10	0	0	0	109.9	R218 W222 D223 S228	R218-N220 PolarHBondContact O-N 2.71Å; N220-W222 PolarHBondContact O-N 2.93Å; N220-D223 PolarHBondContact N-OD1 3.46Å; N220-D223 PolarHBondContact O-N 3.41Å; N220-S228 PolarHBondContact N-OG 3.15Å
221	N	97.6	Very high	98.2	Very high	109 Å²	109	45.7 Å²	45.7	58%	0.583	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	51.8	39.8	-175.7	-169.1	38.4	0	0	0	113.1	P219 D223 V224	P219-N221 PolarHBondContact O-N 3.15Å; N221-D223 PolarHBondContact O-N 3.25Å; N221-V224 VanDerWaalsContact O-CG2 3.31Å; N221-V224 WeakPolarHBondContact O-CG2 3.49Å
222	W	98.4	Very high	98.3	Very high	73 Å²	73	41.3 Å²	41.3	28%	0.277	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	56.7	31.5	-176.2	-55.6	104.3	0	0	0	114.4	P219 N220 V224 P243 E245 K246 E250	P219-W222 HydrophobicContact CG-CE3 3.98Å; P219-W222 HydrophobicContact CG-CZ3 4.34Å; N220-W222 PolarHBondContact O-N 2.93Å; W222-V224 PolarHBondContact O-N 3.3Å; W222-V224 VanDerWaalsContact O-N 3.13Å; W222-P243 HydrophobicContact CB-CB 3.66Å; W222-P243 HydrophobicContact CB-CG 3.96Å; W222-P243 WeakPolarHBondContact O-CB 3.36Å; W222-E245 HydrophobicContact CE3-CG 4.39Å; W222-K246 HydrophobicContact CB-CB 4.09Å; W222-K246 HydrophobicContact CD2-CB 3.61Å; W222-K246 HydrophobicContact CD2-CD 4.27Å; W222-K246 HydrophobicContact CD2-CG 3.85Å; W222-K246 VanDerWaalsContact CE3-CA 3.45Å; W222-K246 HydrophobicContact CE3-CB 3.7Å; W222-K246 HydrophobicContact CE3-CG 4.08Å; W222-K246 HydrophobicContact CG-CB 3.81Å; W222-K246 HydrophobicContact CG-CD 4.38Å; W222-K246 HydrophobicContact CG-CG 4.3Å; W222-K246 HydrophobicContact CH2-CG 4.35Å; W222-K246 HydrophobicContact CZ2-CD 4.46Å; W222-K246 HydrophobicContact CZ2-CG 4.15Å; W222-K246 HydrophobicContact CZ3-CB 4.32Å; W222-K246 HydrophobicContact CZ3-CG 4.32Å; W222-E250 HydrophobicContact CH2-CB 3.74Å; W222-E250 HydrophobicContact CH2-CG 3.69Å; W222-E250 HydrophobicContact CZ2-CG 4.3Å; W222-E250 VanDerWaalsContact CZ2-OE1 3.3Å; W222-E250 WeakPolarHBondContact CZ2-OE1 3.41Å; W222-E250 HydrophobicContact CZ3-CB 3.95Å; W222-E250 HydrophobicContact CZ3-CG 4.41Å
223	D	98.4	Very high	98.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	55.5	34	171	-70	14.2	0	0	0	113.8	P219 N220 N221 H225 Q226 S228 W234 G235 E245	P219-D223 VanDerWaalsContact C-OD1 3.31Å; P219-D223 WeakPolarHBondContact CA-OD1 3.05Å; P219-D223 HydrophobicContact CB-CB 4.36Å; P219-D223 VanDerWaalsContact CB-CG 3.5Å; P219-D223 WeakPolarHBondContact CB-OD1 3.05Å; N220-D223 PolarHBondContact N-OD1 3.46Å; N220-D223 PolarHBondContact O-N 3.41Å; N221-D223 PolarHBondContact O-N 3.25Å; D223-H225 PolarHBondContact O-N 2.86Å; D223-Q226 VanDerWaalsContact CA-O 3.28Å; D223-Q226 WeakPolarHBondContact CA-O 3.48Å; D223-Q226 WeakPolarHBondContact CB-O 3.37Å; D223-Q226 VanDerWaalsContact CG-O 3.28Å; D223-S228 VanDerWaalsContact CG-OG 3.3Å; D223-S228 PolarHBondContact OD1-OG 2.85Å; D223-S228 PolarHBondContact OD2-N 3.16Å; D223-S228 PolarHBondContact OD2-OG 2.95Å; D223-W234 HydrophobicContact CB-CB 3.96Å; D223-W234 WeakPolarHBondContact O-CA 3.4Å; D223-W234 WeakPolarHBondContact O-CB 3.49Å; D223-G235 PolarHBondContact O-N 2.91Å; D223-E245 HydrophobicContact CB-CB 4.35Å
224	V	98.2	Very high	98.3	Very high	35 Å²	35	47.9 Å²	47.9	21%	0.212	24%	0.235	C	C	.	.	S	Bend	trans	-57.5	-32.1	-178.7	167.6	0	0	0	0	113.5	N221 W222 V236 P243	N221-V224 VanDerWaalsContact O-CG2 3.31Å; N221-V224 WeakPolarHBondContact O-CG2 3.49Å; W222-V224 PolarHBondContact O-N 3.3Å; W222-V224 VanDerWaalsContact O-N 3.13Å; V224-V236 HydrophobicContact CB-CG2 4.41Å; V224-V236 HydrophobicContact CG1-CG2 3.85Å; V224-V236 HydrophobicContact CG2-CG2 4.2Å; V224-P243 HydrophobicContact CG2-CB 3.89Å; V224-P243 HydrophobicContact CG2-CG 3.58Å
225	H	97.3	Very high	98.3	Very high	158 Å²	158	47.5 Å²	47.5	73%	0.731	24%	0.237	S	C	*	.	S	Bend	trans	-118.8	-20.1	-175	-61.4	-56.3	0	0	0	114.3	D223	D223-H225 PolarHBondContact O-N 2.86Å
226	Q	97.7	Very high	98.3	Very high	79 Å²	79	50.3 Å²	50.3	37%	0.369	25%	0.253	S	S	.	.	S	Bend	trans	-157.6	138.5	-172.8	-177	178.9	22.3	0	0	108.7	N207 D223 S228	N207-Q226 PolarHBondContact ND2-NE2 3.5Å; D223-Q226 VanDerWaalsContact CA-O 3.28Å; D223-Q226 WeakPolarHBondContact CA-O 3.48Å; D223-Q226 WeakPolarHBondContact CB-O 3.37Å; D223-Q226 VanDerWaalsContact CG-O 3.28Å; Q226-S228 PolarHBondContact O-N 2.87Å
227	D	98.6	Very high	98.3	Very high	20 Å²	20	50.8 Å²	50.8	11%	0.107	26%	0.255	C	S	.	.			trans	-68.6	103.5	165.5	-179.8	0.1	0	0	0	108.5	V213 N229 C230 N231 G232 W234	V213-D227 WeakPolarHBondContact CG1-O 3.45Å; D227-N229 PolarHBondContact OD1-N 2.76Å; D227-N229 PolarHBondContact OD1-OD1 3.37Å; D227-C230 WeakPolarHBondContact OD1-CA 3.27Å; D227-C230 PolarHBondContact OD1-N 2.98Å; D227-C230 WeakPolarHBondContact OD2-CA 3.18Å; D227-N231 PolarHBondContact OD1-N 2.99Å; D227-G232 VanDerWaalsContact OD2-CA 3.23Å; D227-G232 WeakPolarHBondContact OD2-CA 3.06Å; D227-G232 PolarHBondContact OD2-N 2.92Å; D227-W234 HydrophobicContact CB-CB 3.94Å; D227-W234 HydrophobicContact CB-CG 3.93Å
228	S	98.7	Very high	98.3	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.014	28%	0.284	C	S	.	.	S	Bend	trans	-97.2	-9.4	-175.1	73.9	0	0	0	0	113.4	V213 Y214 P219 N220 D223 Q226	V213-S228 WeakPolarHBondContact CA-O 3.32Å; Y214-S228 PolarHBondContact N-O 3.42Å; P219-S228 WeakPolarHBondContact CA-OG 3.33Å; N220-S228 PolarHBondContact N-OG 3.15Å; D223-S228 VanDerWaalsContact CG-OG 3.3Å; D223-S228 PolarHBondContact OD1-OG 2.85Å; D223-S228 PolarHBondContact OD2-N 3.16Å; D223-S228 PolarHBondContact OD2-OG 2.95Å; Q226-S228 PolarHBondContact O-N 2.87Å
229	N	98.6	Very high	98.3	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.303	C	S	.	.	S	Bend	trans	-116.5	6.5	177.4	71.1	25.5	0	0	0	113.8	Y214 P215 G216 R217 D227 N231 E245	Y214-N229 CarbonylContact O-C 3.54Å; Y214-N229 VanDerWaalsContact O-CA 3.32Å; Y214-N229 WeakPolarHBondContact O-CA 3.33Å; P215-N229 VanDerWaalsContact CA-O 3.28Å; P215-N229 WeakPolarHBondContact CA-O 3.39Å; G216-N229 PolarHBondContact N-O 2.86Å; R217-N229 HydrophobicContact CB-CB 4.23Å; R217-N229 WeakPolarHBondContact O-CB 3.49Å; D227-N229 PolarHBondContact OD1-N 2.76Å; D227-N229 PolarHBondContact OD1-OD1 3.37Å; N229-N231 PolarHBondContact O-N 2.03Å; N229-N231 WeakPolarHBondContact OD1-CB 3.49Å; N229-N231 PolarHBondContact OD1-N 2.2Å; N229-N231 VanDerWaalsContact OD1-N 3.11Å; N229-N231 PolarHBondContact OD1-ND2 2.95Å; N229-N231 VanDerWaalsContact OD1-ND2 3.15Å; N229-N231 PolarHBondContact OD1-OD1 3.27Å; N229-E245 PolarHBondContact ND2-OE1 3.03Å
230	C	98.8	Very high	98.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	56.6	22.3	179	-54.6	0	0	0	0	115.3	C206 P215 D227 G232 R332	C206-C230 HydrophobicContact CB-CB 3.75Å; C206-C230 WeakPolarHBondContact CB-SG 3.47Å; C206-C230 PolarHBondContact N-SG 3.43Å; C206-C230 WeakPolarHBondContact SG-CA 3.42Å; C206-C230 WeakPolarHBondContact SG-CB 3.22Å; C206-C230 CovalentContact SG-SG 2.05Å; C206-C230 PolarHBondContact SG-SG 2.76Å; P215-C230 HydrophobicContact CG-CB 4.1Å; D227-C230 WeakPolarHBondContact OD1-CA 3.27Å; D227-C230 PolarHBondContact OD1-N 2.98Å; D227-C230 WeakPolarHBondContact OD2-CA 3.18Å; C230-G232 VanDerWaalsContact C-N 3.34Å; C230-R332 VanDerWaalsContact O-CD 3.26Å; C230-R332 WeakPolarHBondContact O-CD 3.08Å; C230-R332 WeakPolarHBondContact O-CG 3.31Å; C230-R332 PolarHBondContact O-NE 2.84Å
231	N	98.6	Very high	98.2	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.048	32%	0.317	C	S	.	.	S	Bend	trans	-81.9	-12.4	-178.9	81.4	11.6	0	0	0	113	D227 N229 I233 E245 H331	D227-N231 PolarHBondContact OD1-N 2.99Å; N229-N231 PolarHBondContact O-N 2.03Å; N229-N231 WeakPolarHBondContact OD1-CB 3.49Å; N229-N231 PolarHBondContact OD1-N 2.2Å; N229-N231 VanDerWaalsContact OD1-N 3.11Å; N229-N231 PolarHBondContact OD1-ND2 2.95Å; N229-N231 VanDerWaalsContact OD1-ND2 3.15Å; N229-N231 PolarHBondContact OD1-OD1 3.27Å; N231-I233 WeakPolarHBondContact OD1-CA 3.04Å; N231-I233 WeakPolarHBondContact OD1-CB 3.3Å; N231-I233 WeakPolarHBondContact OD1-CG1 3.46Å; N231-I233 PolarHBondContact OD1-N 3.33Å; N231-E245 PolarHBondContact ND2-OE1 3.22Å; N231-E245 VanDerWaalsContact ND2-OE1 3.11Å; N231-E245 PolarHBondContact ND2-OE2 3.04Å; N231-H331 HydrophobicContact CB-CB 4.2Å; N231-H331 WeakPolarHBondContact O-CB 3.42Å; N231-H331 PolarHBondContact O-CD2 3.43Å; N231-H331 VanDerWaalsContact O-CD2 3.28Å
232	G	98.6	Very high	98.3	Very high	48 Å²	48	56 Å²	56	50%	0.495	30%	0.304	S	S	.	.	S	Bend	trans	87.7	5	-178.9	0	0	0	0	0	115.6	D227 C230	D227-G232 VanDerWaalsContact OD2-CA 3.23Å; D227-G232 WeakPolarHBondContact OD2-CA 3.06Å; D227-G232 PolarHBondContact OD2-N 2.92Å; C230-G232 VanDerWaalsContact C-N 3.34Å
233	I	98.7	Very high	98.3	Very high	34 Å²	34	53.5 Å²	53.5	17%	0.174	30%	0.297	C	S	.	.			trans	-112.4	106.8	-178.4	-52.8	171.3	0	0	0	108.3	N231 E245 F248	N231-I233 WeakPolarHBondContact OD1-CA 3.04Å; N231-I233 WeakPolarHBondContact OD1-CB 3.3Å; N231-I233 WeakPolarHBondContact OD1-CG1 3.46Å; N231-I233 PolarHBondContact OD1-N 3.33Å; I233-E245 WeakPolarHBondContact CB-OE2 3.37Å; I233-E245 HydrophobicContact CG2-CB 4.34Å; I233-F248 HydrophobicContact CG2-CD2 4.04Å
234	W	98.7	Very high	98.3	Very high	138 Å²	138	56.9 Å²	56.9	52%	0.523	31%	0.31	S	S	.	.			trans	-155.3	169.5	-177.6	68.9	-80.6	0	0	0	110.2	D223 D227 Y244	D223-W234 HydrophobicContact CB-CB 3.96Å; D223-W234 WeakPolarHBondContact O-CA 3.4Å; D223-W234 WeakPolarHBondContact O-CB 3.49Å; D227-W234 HydrophobicContact CB-CB 3.94Å; D227-W234 HydrophobicContact CB-CG 3.93Å; W234-Y244 WeakPolarHBondContact O-CD2 3.49Å
235	G	98.5	Very high	98.3	Very high	11 Å²	11	55.2 Å²	55.2	11%	0.113	30%	0.3	C	S	.	.	S	Bend	trans	83.4	-168.4	-177.1	0	0	0	0	0	113.7	D223 P243 Y244	D223-G235 PolarHBondContact O-N 2.91Å; G235-P243 CarbonylContact O-C 3.52Å; G235-P243 WeakPolarHBondContact O-CA 3.3Å; G235-Y244 PolarHBondContact O-N 2.9Å
236	V	98.6	Very high	98.4	Very high	58 Å²	58	51.2 Å²	51.2	35%	0.352	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-124	138.2	-169.2	-177.5	0	0	0	0	110.7	V224 P238 G241 Y244	V224-V236 HydrophobicContact CB-CG2 4.41Å; V224-V236 HydrophobicContact CG1-CG2 3.85Å; V224-V236 HydrophobicContact CG2-CG2 4.2Å; V236-P238 WeakPolarHBondContact O-CD 3.28Å; V236-G241 WeakPolarHBondContact CG1-O 3.08Å; V236-Y244 WeakPolarHBondContact O-CE2 3.5Å
237	D	98	Very high	98.4	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.08	28%	0.281	C	S	.	.			trans	-70.3	116.5	171.8	-171.8	-26.2	0	0	0	109.7	K239 D240 G241 V242 Y244 K247	D237-K239 PolarHBondContact O-N 3.46Å; D237-K239 VanDerWaalsContact OD1-CB 3.27Å; D237-K239 WeakPolarHBondContact OD1-CB 3.29Å; D237-K239 WeakPolarHBondContact OD1-CG 3.41Å; D237-K239 PolarHBondContact OD1-N 2.92Å; D237-D240 WeakPolarHBondContact CB-OD1 3.24Å; D237-D240 PolarHBondContact O-N 3.41Å; D237-G241 WeakPolarHBondContact O-CA 3.17Å; D237-G241 PolarHBondContact O-N 3.27Å; D237-V242 PolarHBondContact N-O 3.34Å; D237-Y244 HydrophobicContact CB-CD1 4.1Å; D237-Y244 HydrophobicContact CB-CE1 3.55Å; D237-K247 IonicContact OD2-NZ 2.71Å; D237-K247 PolarHBondContact OD2-NZ 3.17Å
238	P	97.9	Very high	98.3	Very high	116 Å²	116	56.1 Å²	56.1	75%	0.753	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.3	-176.6	29.8	-36.6	0	0	0	113.5	V236 Y244	V236-P238 WeakPolarHBondContact O-CD 3.28Å; P238-Y244 WeakPolarHBondContact CD-OH 3.3Å
239	K	97.9	Very high	98.3	Very high	188 Å²	188	56.1 Å²	56.1	82%	0.817	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-33	179.5	-62.5	174	-179	173.7	0	113.7	D237	D237-K239 PolarHBondContact O-N 3.46Å; D237-K239 VanDerWaalsContact OD1-CB 3.27Å; D237-K239 WeakPolarHBondContact OD1-CB 3.29Å; D237-K239 WeakPolarHBondContact OD1-CG 3.41Å; D237-K239 PolarHBondContact OD1-N 2.92Å
240	D	97.4	Very high	98.3	Very high	84 Å²	84	61 Å²	61	45%	0.449	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-4.7	-173.9	59.8	21.6	0	0	0	114.3	D237 V242 K247	D237-D240 WeakPolarHBondContact CB-OD1 3.24Å; D237-D240 PolarHBondContact O-N 3.41Å; D240-V242 HydrophobicContact CB-CG2 4.31Å; D240-V242 PolarHBondContact O-N 2.86Å; D240-V242 WeakPolarHBondContact OD1-CB 3.49Å; D240-V242 WeakPolarHBondContact OD1-CG2 3.45Å; D240-V242 PolarHBondContact OD1-N 3.03Å; D240-K247 IonicContact OD1-NZ 3.26Å; D240-K247 IonicContact OD2-NZ 3.75Å; D240-K247 PolarHBondContact OD2-NZ 3.43Å
241	G	97.6	Very high	98.1	Very high	52 Å²	52	64.4 Å²	64.4	54%	0.536	36%	0.358	S	S	.	.			trans	74.3	10.5	179.4	0	0	0	0	0	114	V236 D237	V236-G241 WeakPolarHBondContact CG1-O 3.08Å; D237-G241 WeakPolarHBondContact O-CA 3.17Å; D237-G241 PolarHBondContact O-N 3.27Å
242	V	98.3	Very high	97.8	Very high	50 Å²	50	66.1 Å²	66.1	30%	0.303	37%	0.37	S	S	.	.			trans	-87	134.3	-179.9	-175.2	0	0	0	0	110.2	D237 D240 Y244 K246 K247	D237-V242 PolarHBondContact N-O 3.34Å; D240-V242 HydrophobicContact CB-CG2 4.31Å; D240-V242 PolarHBondContact O-N 2.86Å; D240-V242 WeakPolarHBondContact OD1-CB 3.49Å; D240-V242 WeakPolarHBondContact OD1-CG2 3.45Å; D240-V242 PolarHBondContact OD1-N 3.03Å; V242-Y244 PolarHBondContact O-N 3.42Å; V242-K246 HydrophobicContact CG1-CB 4.49Å; V242-K247 HydrophobicContact CG1-CB 4.11Å
243	P	98.7	Very high	97.6	Very high	21 Å²	21	70.2 Å²	70.2	14%	0.136	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-60.2	136.6	174.4	-21.1	32.4	0	0	0	111.5	W222 V224 G235 E245 K246 K247	W222-P243 HydrophobicContact CB-CB 3.66Å; W222-P243 HydrophobicContact CB-CG 3.96Å; W222-P243 WeakPolarHBondContact O-CB 3.36Å; V224-P243 HydrophobicContact CG2-CB 3.89Å; V224-P243 HydrophobicContact CG2-CG 3.58Å; G235-P243 CarbonylContact O-C 3.52Å; G235-P243 WeakPolarHBondContact O-CA 3.3Å; P243-E245 VanDerWaalsContact C-N 3.34Å; P243-E245 PolarHBondContact O-N 3.32Å; P243-K246 HydrophobicContact CB-CB 4.16Å; P243-K246 HydrophobicContact CG-CB 4.48Å; P243-K246 WeakPolarHBondContact O-CB 3.34Å; P243-K246 PolarHBondContact O-N 3.36Å; P243-K247 WeakPolarHBondContact O-CB 3.19Å; P243-K247 PolarHBondContact O-N 3.42Å
244	Y	98.7	Very high	97.4	Very high	72 Å²	72	68.9 Å²	68.9	28%	0.282	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-41.5	-176.8	-75	-62.4	0	0	0	112.5	W234 G235 V236 D237 P238 V242 K246 K247 F248	W234-Y244 WeakPolarHBondContact O-CD2 3.49Å; G235-Y244 PolarHBondContact O-N 2.9Å; V236-Y244 WeakPolarHBondContact O-CE2 3.5Å; D237-Y244 HydrophobicContact CB-CD1 4.1Å; D237-Y244 HydrophobicContact CB-CE1 3.55Å; P238-Y244 WeakPolarHBondContact CD-OH 3.3Å; V242-Y244 PolarHBondContact O-N 3.42Å; Y244-K246 VanDerWaalsContact C-N 3.3Å; Y244-K246 PolarHBondContact O-N 3.27Å; Y244-K247 PolarHBondContact O-N 2.04Å; Y244-K247 VanDerWaalsContact O-N 3.14Å; Y244-F248 HydrophobicContact CD1-CD2 4.32Å; Y244-F248 AromaticContact CD1-CE2 3.42Å; Y244-F248 HydrophobicContact CD1-CE2 3.42Å; Y244-F248 VanDerWaalsContact CD1-CE2 3.42Å; Y244-F248 AromaticContact CD1-CZ 3.7Å; Y244-F248 HydrophobicContact CD1-CZ 3.7Å; Y244-F248 HydrophobicContact CE1-CE2 4.24Å; Y244-F248 HydrophobicContact CE1-CZ 4.23Å; Y244-F248 HydrophobicContact CG-CE2 4.06Å; Y244-F248 WeakPolarHBondContact O-CB 3.32Å; Y244-F248 WeakPolarHBondContact O-CD2 3.44Å; Y244-F248 WeakPolarHBondContact O-CG 3.24Å; Y244-F248 PolarHBondContact O-N 3.33Å
245	E	98.6	Very high	97.3	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.4	-39.4	177.4	-177.6	67.8	176.9	0	0	111.2	P219 W222 D223 N229 N231 I233 P243 C249	P219-E245 HydrophobicContact CB-CG 3.57Å; P219-E245 HydrophobicContact CG-CG 3.63Å; W222-E245 HydrophobicContact CE3-CG 4.39Å; D223-E245 HydrophobicContact CB-CB 4.35Å; N229-E245 PolarHBondContact ND2-OE1 3.03Å; N231-E245 PolarHBondContact ND2-OE1 3.22Å; N231-E245 VanDerWaalsContact ND2-OE1 3.11Å; N231-E245 PolarHBondContact ND2-OE2 3.04Å; I233-E245 WeakPolarHBondContact CB-OE2 3.37Å; I233-E245 HydrophobicContact CG2-CB 4.34Å; P243-E245 VanDerWaalsContact C-N 3.34Å; P243-E245 PolarHBondContact O-N 3.32Å; E245-C249 WeakPolarHBondContact O-CA 3.45Å; E245-C249 WeakPolarHBondContact O-CB 3.24Å; E245-C249 PolarHBondContact O-N 3.15Å; E245-C249 PolarHBondContact OE2-SG 3.04Å
246	K	98.5	Very high	97.2	Very high	75 Å²	75	63.3 Å²	63.3	33%	0.326	35%	0.346	S	S	.	.	H	α-helix	trans	-62.7	-52	171.2	-169.2	176.8	-178.5	-180	0	111	W222 V242 P243 Y244 F248 E250	W222-K246 HydrophobicContact CB-CB 4.09Å; W222-K246 HydrophobicContact CD2-CB 3.61Å; W222-K246 HydrophobicContact CD2-CD 4.27Å; W222-K246 HydrophobicContact CD2-CG 3.85Å; W222-K246 VanDerWaalsContact CE3-CA 3.45Å; W222-K246 HydrophobicContact CE3-CB 3.7Å; W222-K246 HydrophobicContact CE3-CG 4.08Å; W222-K246 HydrophobicContact CG-CB 3.81Å; W222-K246 HydrophobicContact CG-CD 4.38Å; W222-K246 HydrophobicContact CG-CG 4.3Å; W222-K246 HydrophobicContact CH2-CG 4.35Å; W222-K246 HydrophobicContact CZ2-CD 4.46Å; W222-K246 HydrophobicContact CZ2-CG 4.15Å; W222-K246 HydrophobicContact CZ3-CB 4.32Å; W222-K246 HydrophobicContact CZ3-CG 4.32Å; V242-K246 HydrophobicContact CG1-CB 4.49Å; P243-K246 HydrophobicContact CB-CB 4.16Å; P243-K246 HydrophobicContact CG-CB 4.48Å; P243-K246 WeakPolarHBondContact O-CB 3.34Å; P243-K246 PolarHBondContact O-N 3.36Å; Y244-K246 VanDerWaalsContact C-N 3.3Å; Y244-K246 PolarHBondContact O-N 3.27Å; K246-F248 VanDerWaalsContact C-N 3.29Å; K246-F248 PolarHBondContact O-N 3.3Å; K246-E250 WeakPolarHBondContact CE-OE2 3.1Å; K246-E250 HydrophobicContact CG-CB 4.18Å; K246-E250 WeakPolarHBondContact CG-OE2 3.44Å; K246-E250 IonicContact NZ-OE2 3.12Å; K246-E250 WeakPolarHBondContact O-CB 3.17Å; K246-E250 PolarHBondContact O-N 3.17Å; K246-E250 VanDerWaalsContact O-N 3.14Å
247	K	97.9	Very high	97.2	Very high	86 Å²	86	60.5 Å²	60.5	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-32	-174.4	-169.3	169.8	-175.4	165.4	0	113.8	D237 D240 V242 P243 Y244	D237-K247 IonicContact OD2-NZ 2.71Å; D237-K247 PolarHBondContact OD2-NZ 3.17Å; D240-K247 IonicContact OD1-NZ 3.26Å; D240-K247 IonicContact OD2-NZ 3.75Å; D240-K247 PolarHBondContact OD2-NZ 3.43Å; V242-K247 HydrophobicContact CG1-CB 4.11Å; P243-K247 WeakPolarHBondContact O-CB 3.19Å; P243-K247 PolarHBondContact O-N 3.42Å; Y244-K247 PolarHBondContact O-N 2.04Å; Y244-K247 VanDerWaalsContact O-N 3.14Å
248	F	98	Very high	97.2	Very high	116 Å²	116	59.8 Å²	59.8	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-106.2	-28.8	-175.2	-57.3	-34.7	0	0	0	114	I233 Y244 K246	I233-F248 HydrophobicContact CG2-CD2 4.04Å; Y244-F248 HydrophobicContact CD1-CD2 4.32Å; Y244-F248 AromaticContact CD1-CE2 3.42Å; Y244-F248 HydrophobicContact CD1-CE2 3.42Å; Y244-F248 VanDerWaalsContact CD1-CE2 3.42Å; Y244-F248 AromaticContact CD1-CZ 3.7Å; Y244-F248 HydrophobicContact CD1-CZ 3.7Å; Y244-F248 HydrophobicContact CE1-CE2 4.24Å; Y244-F248 HydrophobicContact CE1-CZ 4.23Å; Y244-F248 HydrophobicContact CG-CE2 4.06Å; Y244-F248 WeakPolarHBondContact O-CB 3.32Å; Y244-F248 WeakPolarHBondContact O-CD2 3.44Å; Y244-F248 WeakPolarHBondContact O-CG 3.24Å; Y244-F248 PolarHBondContact O-N 3.33Å; K246-F248 VanDerWaalsContact C-N 3.29Å; K246-F248 PolarHBondContact O-N 3.3Å
249	C	98.1	Very high	97.2	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-114	-18.6	-171.3	-53	0	0	0	0	114.6	E245 G251 S252 C329	E245-C249 WeakPolarHBondContact O-CA 3.45Å; E245-C249 WeakPolarHBondContact O-CB 3.24Å; E245-C249 PolarHBondContact O-N 3.15Å; E245-C249 PolarHBondContact OE2-SG 3.04Å; C249-G251 PolarHBondContact O-N 3.03Å; C249-S252 WeakPolarHBondContact CA-OG 3.27Å; C249-S252 WeakPolarHBondContact O-CB 3.25Å; C249-S252 PolarHBondContact O-N 3.03Å; C249-S252 VanDerWaalsContact O-N 3.13Å; C249-S252 PolarHBondContact O-OG 3.04Å; C249-C329 WeakPolarHBondContact CA-SG 3.36Å; C249-C329 HydrophobicContact CB-CB 3.78Å; C249-C329 WeakPolarHBondContact CB-SG 2.97Å; C249-C329 WeakPolarHBondContact SG-CB 3.37Å; C249-C329 CovalentContact SG-SG 2.02Å; C249-C329 PolarHBondContact SG-SG 2.93Å
250	E	97.8	Very high	97.3	Very high	107 Å²	107	45.3 Å²	45.3	50%	0.5	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	131.8	172.6	-171.3	169.4	-131.8	0	0	110.5	W222 K246 S252	W222-E250 HydrophobicContact CH2-CB 3.74Å; W222-E250 HydrophobicContact CH2-CG 3.69Å; W222-E250 HydrophobicContact CZ2-CG 4.3Å; W222-E250 VanDerWaalsContact CZ2-OE1 3.3Å; W222-E250 WeakPolarHBondContact CZ2-OE1 3.41Å; W222-E250 HydrophobicContact CZ3-CB 3.95Å; W222-E250 HydrophobicContact CZ3-CG 4.41Å; K246-E250 WeakPolarHBondContact CE-OE2 3.1Å; K246-E250 HydrophobicContact CG-CB 4.18Å; K246-E250 WeakPolarHBondContact CG-OE2 3.44Å; K246-E250 IonicContact NZ-OE2 3.12Å; K246-E250 WeakPolarHBondContact O-CB 3.17Å; K246-E250 PolarHBondContact O-N 3.17Å; K246-E250 VanDerWaalsContact O-N 3.14Å; E250-S252 PolarHBondContact O-N 3.3Å; E250-S252 VanDerWaalsContact O-N 3.08Å
251	G	94.6	Very high	97.3	Very high	72 Å²	72	41.3 Å²	41.3	74%	0.742	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	-12.4	-176.4	0	0	0	0	0	116.2	C249 Q253	C249-G251 PolarHBondContact O-N 3.03Å; G251-Q253 PolarHBondContact O-N 2.8Å
252	S	92.1	Very high	97.2	Very high	44 Å²	44	39 Å²	39	31%	0.308	21%	0.205	S	C	.	.	S	Bend	trans	-72.5	-9.4	-179.2	76.8	0	0	0	0	114.9	C249 E250 P254 N327	C249-S252 WeakPolarHBondContact CA-OG 3.27Å; C249-S252 WeakPolarHBondContact O-CB 3.25Å; C249-S252 PolarHBondContact O-N 3.03Å; C249-S252 VanDerWaalsContact O-N 3.13Å; C249-S252 PolarHBondContact O-OG 3.04Å; E250-S252 PolarHBondContact O-N 3.3Å; E250-S252 VanDerWaalsContact O-N 3.08Å; S252-P254 WeakPolarHBondContact OG-CD 3.4Å; S252-N327 VanDerWaalsContact CB-ND2 3.3Å; S252-N327 WeakPolarHBondContact CB-ND2 3.31Å; S252-N327 PolarHBondContact O-ND2 3.48Å; S252-N327 VanDerWaalsContact O-ND2 3.09Å; S252-N327 PolarHBondContact OG-ND2 3.33Å
253	Q	94.6	Very high	97.1	Very high	134 Å²	134	37 Å²	37	63%	0.626	19%	0.192	S	C	*	.			trans	49.4	63.4	-176.2	-56.4	-177.3	7.9	0	0	114.4	G251	G251-Q253 PolarHBondContact O-N 2.8Å
254	P	95.3	Very high	96.9	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.039	19%	0.19	C	C	.	.			trans	-55.8	147.9	173.3	-21	33.4	0	0	0	111.9	S252 C329 N330 Y362	S252-P254 WeakPolarHBondContact OG-CD 3.4Å; P254-C329 HydrophobicContact CB-CB 4.39Å; P254-C329 HydrophobicContact CG-CB 3.98Å; P254-N330 WeakPolarHBondContact CA-OD1 3.4Å; P254-N330 WeakPolarHBondContact CB-OD1 3.39Å; P254-Y362 HydrophobicContact CB-CD1 3.95Å; P254-Y362 HydrophobicContact CB-CD2 4.06Å; P254-Y362 HydrophobicContact CB-CE1 4.04Å; P254-Y362 HydrophobicContact CB-CE2 4.11Å; P254-Y362 HydrophobicContact CB-CG 3.97Å; P254-Y362 HydrophobicContact CG-CD1 4.24Å; P254-Y362 HydrophobicContact CG-CE1 3.82Å; P254-Y362 HydrophobicContact CG-CE2 4.22Å
255	R	96.1	Very high	96.7	Very high	32 Å²	32	33.1 Å²	33.1	12%	0.121	18%	0.177	C	C	.	.			trans	-158.2	145.3	178.3	62.4	-176.3	75.2	178.2	6.9	111.6	L323 N330 P363 H412 E553	R255-L323 HydrophobicContact CG-CD1 4.07Å; R255-L323 WeakPolarHBondContact O-CD2 3.26Å; R255-N330 PolarHBondContact N-OD1 3.1Å; R255-N330 PolarHBondContact O-OD1 3.37Å; R255-P363 CarbonylContact C-O 3.57Å; R255-P363 WeakPolarHBondContact CA-O 3.17Å; R255-P363 WeakPolarHBondContact CB-O 3.15Å; R255-H412 PolarHBondContact NH1-NE2 2.98Å; R255-H412 VanDerWaalsContact NH1-NE2 3.13Å; R255-E553 IonicContact CZ-OE1 3.4Å; R255-E553 VanDerWaalsContact CZ-OE1 3.26Å; R255-E553 IonicContact NH1-OE1 3.11Å; R255-E553 PolarHBondContact NH1-OE1 3.2Å; R255-E553 IonicContact NH2-OE1 3.99Å; R255-E553 PolarHBondContact NH2-OE1 3.09Å; R255-E553 IonicContact NH2-OE2 3.51Å
256	G	96.4	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	167.4	179.1	0	0	0	0	0	114.3	D333 P363 A364 I365	G256-D333 WeakPolarHBondContact CA-O 3.42Å; G256-D333 WeakPolarHBondContact CA-OD1 3.21Å; G256-D333 WeakPolarHBondContact CA-OD2 3.39Å; G256-D333 PolarHBondContact N-OD2 2.85Å; G256-D333 VanDerWaalsContact N-OD2 3.07Å; G256-P363 PolarHBondContact N-O 3.01Å; G256-A364 WeakPolarHBondContact O-CA 3.31Å; G256-I365 PolarHBondContact O-N 2.94Å
257	I	97.9	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.9	168.8	178.4	63.4	0	0	0	111	I319 Y320 L323 D333 Y334 Q335 I365 I367	I257-I319 HydrophobicContact CB-CG2 4.47Å; I257-I319 HydrophobicContact CD1-CG2 3.73Å; I257-I319 HydrophobicContact CG1-CB 4.45Å; I257-I319 HydrophobicContact CG1-CG2 3.78Å; I257-Y320 HydrophobicContact CG2-CD2 4.19Å; I257-Y320 HydrophobicContact CG2-CG 4.44Å; I257-L323 HydrophobicContact CB-CD2 3.98Å; I257-L323 HydrophobicContact CG2-CD2 4.26Å; I257-D333 PolarHBondContact N-O 2.92Å; I257-Y334 CarbonylContact O-C 3.58Å; I257-Y334 VanDerWaalsContact O-CA 3.3Å; I257-Y334 WeakPolarHBondContact O-CA 3.49Å; I257-Q335 PolarHBondContact O-N 3.26Å; I257-I365 HydrophobicContact CD1-CB 4.19Å; I257-I365 HydrophobicContact CD1-CG2 4.1Å; I257-I367 HydrophobicContact CD1-CD1 3.87Å; I257-I367 HydrophobicContact CD1-CG1 4.18Å
258	I	98.8	Very high	96.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127	178.1	-54.1	178.6	0	0	0	108.6	L260 Q335 I337 L354 A364 I365 V366 I367 L407	I258-L260 HydrophobicContact CG2-CD2 4.35Å; I258-Q335 CarbonylContact C-O 3.56Å; I258-Q335 WeakPolarHBondContact CA-O 3.18Å; I258-Q335 HydrophobicContact CG1-CB 4.22Å; I258-Q335 HydrophobicContact CG2-CB 4.28Å; I258-I337 HydrophobicContact CG2-CG1 4.06Å; I258-L354 HydrophobicContact CD1-CD1 4.15Å; I258-L354 HydrophobicContact CD1-CG 4.26Å; I258-L354 HydrophobicContact CG2-CD1 3.94Å; I258-L354 HydrophobicContact CG2-CG 4.49Å; I258-A364 HydrophobicContact CD1-CB 3.76Å; I258-A364 HydrophobicContact CG1-CB 4.07Å; I258-I365 PolarHBondContact N-O 3.01Å; I258-V366 HydrophobicContact CB-CG1 4.36Å; I258-V366 HydrophobicContact CB-CG2 4.2Å; I258-V366 HydrophobicContact CD1-CG2 4.4Å; I258-V366 HydrophobicContact CG2-CG1 4.36Å; I258-V366 CarbonylContact O-C 3.21Å; I258-V366 VanDerWaalsContact O-CA 3.28Å; I258-V366 WeakPolarHBondContact O-CA 3.47Å; I258-I367 PolarHBondContact O-N 3.01Å; I258-L407 HydrophobicContact CD1-CD2 4.49Å
259	L	98.5	Very high	96.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.3	170.6	-178.7	67.3	0	0	0	109.5	G265 A304 Q335 I337 I367 A369	L259-G265 VanDerWaalsContact CD2-O 3.26Å; L259-G265 WeakPolarHBondContact CD2-O 3.26Å; L259-A304 HydrophobicContact CB-CB 4.39Å; L259-A304 HydrophobicContact CD2-CB 3.89Å; L259-Q335 PolarHBondContact N-O 3.26Å; L259-I337 CarbonylContact O-C 3.51Å; L259-I337 VanDerWaalsContact O-C 3.28Å; L259-I337 VanDerWaalsContact O-CA 3.27Å; L259-I337 WeakPolarHBondContact O-CA 3.49Å; L259-I337 WeakPolarHBondContact O-CB 3.41Å; L259-I337 PolarHBondContact O-N 3.26Å; L259-I367 HydrophobicContact CD1-CB 3.86Å; L259-I367 HydrophobicContact CD1-CG2 3.79Å; L259-A369 HydrophobicContact CD1-CB 4.02Å
260	L	98.6	Very high	96.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	96	162	-54.1	-179.4	0	0	0	106.8	I258 I337 L347 L354 V366 I367 A369 M370 T399 L403	I258-L260 HydrophobicContact CG2-CD2 4.35Å; L260-I337 WeakPolarHBondContact CA-O 3.36Å; L260-I337 HydrophobicContact CD2-CB 3.93Å; L260-I337 HydrophobicContact CD2-CG2 4.04Å; L260-L347 HydrophobicContact CB-CD1 4.43Å; L260-L347 HydrophobicContact CB-CD2 4.48Å; L260-L347 HydrophobicContact CD1-CD2 4.29Å; L260-L354 HydrophobicContact CD2-CD1 4.24Å; L260-V366 HydrophobicContact CD1-CG1 3.85Å; L260-V366 HydrophobicContact CG-CG1 3.82Å; L260-I367 PolarHBondContact N-O 2.7Å; L260-A369 PolarHBondContact O-N 3.22Å; L260-M370 HydrophobicContact CB-CE 4.46Å; L260-M370 WeakPolarHBondContact O-CE 3.49Å; L260-T399 HydrophobicContact CD1-CG2 4.27Å; L260-L403 HydrophobicContact CD1-CD1 3.99Å; L260-L403 HydrophobicContact CD1-CD2 4.27Å
261	G	97.4	Very high	95.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	172.5	-166.8	0	0	0	0	0	115.7	I337 S338 R339 A342 M370	G261-I337 PolarHBondContact N-O 3.32Å; G261-S338 WeakPolarHBondContact CA-OG 3.46Å; G261-S338 PolarHBondContact N-OG 2.85Å; G261-S338 WeakPolarHBondContact O-CA 3.17Å; G261-S338 WeakPolarHBondContact O-CB 3.44Å; G261-R339 PolarHBondContact O-N 3.13Å; G261-R339 VanDerWaalsContact O-N 3.16Å; G261-A342 WeakPolarHBondContact O-CB 3.35Å; G261-M370 VanDerWaalsContact C-CE 3.42Å; G261-M370 WeakPolarHBondContact O-CE 3.38Å
262	D	96.3	Very high	95.9	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	9%	0.091	C	C	.	.			trans	-101.3	-161.2	167.2	62.1	24.5	0	0	0	111.8	A264 G265 A266 R339 A342 A369 I371 G372	D262-A264 VanDerWaalsContact C-N 3.27Å; D262-A264 PolarHBondContact O-N 2.64Å; D262-A264 WeakPolarHBondContact OD1-CB 3.43Å; D262-A264 PolarHBondContact OD1-N 2.77Å; D262-G265 CarbonylContact O-C 3.6Å; D262-G265 VanDerWaalsContact O-CA 3.31Å; D262-G265 WeakPolarHBondContact O-CA 3.43Å; D262-G265 PolarHBondContact O-N 3.06Å; D262-G265 PolarHBondContact OD1-N 3.36Å; D262-A266 PolarHBondContact O-N 3.31Å; D262-R339 CarbonylContact C-O 3.55Å; D262-R339 VanDerWaalsContact CA-O 3.28Å; D262-R339 WeakPolarHBondContact CA-O 3.45Å; D262-A342 HydrophobicContact CB-CB 4.23Å; D262-A369 PolarHBondContact N-O 3.32Å; D262-I371 WeakPolarHBondContact OD2-CG1 3.48Å; D262-I371 PolarHBondContact OD2-N 3.07Å; D262-G372 PolarHBondContact OD2-N 3.35Å
263	S	95.8	Very high	96	Very high	7 Å²	7	19 Å²	19	5%	0.049	9%	0.094	C	C	.	.	H	α-helix	trans	-57.5	-34.1	176.9	43.1	0	0	0	0	114.2	G265 H267 F268 N340 H530	S263-G265 VanDerWaalsContact C-N 3.29Å; S263-H267 WeakPolarHBondContact O-CA 3.29Å; S263-H267 PolarHBondContact O-N 3.02Å; S263-F268 PolarHBondContact O-N 3.25Å; S263-N340 WeakPolarHBondContact CA-OD1 3.38Å; S263-N340 WeakPolarHBondContact CB-OD1 3.27Å; S263-H530 VanDerWaalsContact CB-NE2 3.29Å; S263-H530 WeakPolarHBondContact CB-NE2 3.43Å; S263-H530 PolarHBondContact OG-CD2 3.23Å; S263-H530 PolarHBondContact OG-NE2 3.07Å
264	A	95.4	Very high	96	Very high	10 Å²	10	13.6 Å²	13.6	8%	0.083	7%	0.068	C	C	.	.	H	α-helix	trans	-73.3	-25.8	173.3	0	0	0	0	0	112	D262 I371 P531	D262-A264 VanDerWaalsContact C-N 3.27Å; D262-A264 PolarHBondContact O-N 2.64Å; D262-A264 WeakPolarHBondContact OD1-CB 3.43Å; D262-A264 PolarHBondContact OD1-N 2.77Å; A264-I371 HydrophobicContact CB-CD1 3.7Å; A264-I371 HydrophobicContact CB-CG1 4.19Å; A264-P531 HydrophobicContact CB-CG 3.55Å
265	G	94.8	Very high	96	Very high	2 Å²	2	13.6 Å²	13.6	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-73.4	-42	171.3	0	0	0	0	0	113.8	L259 D262 S263 H267 N336	L259-G265 VanDerWaalsContact CD2-O 3.26Å; L259-G265 WeakPolarHBondContact CD2-O 3.26Å; D262-G265 CarbonylContact O-C 3.6Å; D262-G265 VanDerWaalsContact O-CA 3.31Å; D262-G265 WeakPolarHBondContact O-CA 3.43Å; D262-G265 PolarHBondContact O-N 3.06Å; D262-G265 PolarHBondContact OD1-N 3.36Å; S263-G265 VanDerWaalsContact C-N 3.29Å; G265-H267 PolarHBondContact O-N 3.17Å; G265-N336 PolarHBondContact O-ND2 3.16Å
266	A	96.5	Very high	96	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-72	-16.6	173.9	0	0	0	0	0	113	W201 D262 D297 W298 P299	W201-A266 HydrophobicContact CH2-CB 4.46Å; W201-A266 HydrophobicContact CZ3-CB 4.2Å; D262-A266 PolarHBondContact O-N 3.31Å; A266-D297 HydrophobicContact CB-CB 3.71Å; A266-D297 VanDerWaalsContact CB-CG 3.43Å; A266-D297 WeakPolarHBondContact CB-OD2 3.4Å; A266-W298 CarbonylContact O-C 3.52Å; A266-W298 PolarHBondContact O-N 3.48Å; A266-P299 WeakPolarHBondContact O-CA 3.07Å; A266-P299 WeakPolarHBondContact O-CD 3.17Å
267	H	96.9	Very high	96	Very high	5 Å²	5	12.5 Å²	12.5	2%	0.023	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	63.6	-168.5	-174.6	14.1	0	0	0	111.6	S263 G265 H269 W298 E524 E533	S263-H267 WeakPolarHBondContact O-CA 3.29Å; S263-H267 PolarHBondContact O-N 3.02Å; G265-H267 PolarHBondContact O-N 3.17Å; H267-H269 PolarHBondContact O-N 3.36Å; H267-W298 HydrophobicContact CB-CB 4.5Å; H267-W298 PolarHBondContact O-N 3.29Å; H267-E524 IonicContact CE1-OE1 3.71Å; H267-E524 PolarHBondContact CE1-OE1 3.47Å; H267-E524 IonicContact ND1-OE1 3.41Å; H267-E533 PolarHBondContact CE1-N 3.19Å; H267-E533 WeakPolarHBondContact NE2-CB 3.29Å
268	F	96.1	Very high	95.8	Very high	11 Å²	11	15.8 Å²	15.8	5%	0.048	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-53.6	128.6	163.4	-174.7	-90.2	0	0	0	109.9	S263 I270 L296 D297 N340 D527 H530	S263-F268 PolarHBondContact O-N 3.25Å; F268-I270 HydrophobicContact CE1-CD1 3.92Å; F268-I270 HydrophobicContact CE1-CG1 3.86Å; F268-I270 HydrophobicContact CZ-CD1 3.88Å; F268-I270 HydrophobicContact CZ-CG1 3.98Å; F268-L296 HydrophobicContact CD2-CB 3.97Å; F268-L296 HydrophobicContact CE2-CB 3.62Å; F268-L296 HydrophobicContact CE2-CD1 4.01Å; F268-L296 HydrophobicContact CE2-CG 4.44Å; F268-L296 HydrophobicContact CZ-CB 4.21Å; F268-L296 HydrophobicContact CZ-CD1 4.06Å; F268-D297 VanDerWaalsContact CA-OD1 3.31Å; F268-D297 WeakPolarHBondContact CA-OD1 3.37Å; F268-D297 WeakPolarHBondContact CB-OD1 3.21Å; F268-D297 WeakPolarHBondContact CD2-OD1 3.12Å; F268-N340 WeakPolarHBondContact CD2-ND2 2.95Å; F268-D527 WeakPolarHBondContact CD1-OD2 3.24Å; F268-H530 AromaticContact CD1-CE1 3.51Å; F268-H530 AromaticContact CD1-ND1 3.35Å; F268-H530 WeakPolarHBondContact CD1-ND1 3.38Å; F268-H530 AromaticContact CG-CE1 3.88Å; F268-H530 AromaticContact CG-ND1 4Å
269	H	95.4	Very high	95.6	Very high	38 Å²	38	21.9 Å²	21.9	18%	0.176	12%	0.116	C	C	.	.			trans	-155	125.7	177	162.9	81.5	0	0	0	110.5	H267 S271 L296 W298 E524	H267-H269 PolarHBondContact O-N 3.36Å; H269-S271 WeakPolarHBondContact NE2-CA 3.2Å; H269-L296 PolarHBondContact N-O 3.47Å; H269-W298 HydrophobicContact CB-CG 4.48Å; H269-W298 AromaticContact CD2-CE2 3.98Å; H269-W298 AromaticContact CD2-NE1 3.65Å; H269-W298 PolarHBondContact O-NE1 2.76Å; H269-E524 IonicContact CE1-OE2 3.67Å; H269-E524 IonicContact CG-OE1 2.74Å; H269-E524 IonicContact CG-OE2 3.06Å; H269-E524 IonicContact ND1-OE1 2.62Å; H269-E524 PolarHBondContact ND1-OE1 3.1Å; H269-E524 IonicContact ND1-OE2 3.91Å; H269-E524 PolarHBondContact ND1-OE2 2.72Å
270	I	92.3	Very high	95.5	Very high	41 Å²	41	22.2 Å²	22.2	21%	0.21	12%	0.118	C	C	.	.			trans	-103.3	122.8	168.1	-58	174.6	0	0	0	106.4	F268 W274 L296 V526	F268-I270 HydrophobicContact CE1-CD1 3.92Å; F268-I270 HydrophobicContact CE1-CG1 3.86Å; F268-I270 HydrophobicContact CZ-CD1 3.88Å; F268-I270 HydrophobicContact CZ-CG1 3.98Å; I270-W274 HydrophobicContact CB-CZ3 4.39Å; I270-W274 HydrophobicContact CG2-CE3 3.61Å; I270-W274 HydrophobicContact CG2-CZ3 3.8Å; I270-L296 HydrophobicContact CD1-CD1 4.29Å; I270-L296 HydrophobicContact CG1-CD1 4.15Å; I270-V526 HydrophobicContact CB-CB 3.96Å; I270-V526 HydrophobicContact CB-CG1 3.86Å; I270-V526 HydrophobicContact CB-CG2 4.27Å; I270-V526 HydrophobicContact CD1-CG1 4.21Å; I270-V526 HydrophobicContact CG2-CB 4.24Å; I270-V526 HydrophobicContact CG2-CG1 3.77Å; I270-V526 HydrophobicContact CG2-CG2 4.27Å; I270-V526 WeakPolarHBondContact O-CG2 3.18Å
271	S	94.5	Very high	95.4	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.021	13%	0.131	C	C	.	.			trans	-70.9	128.4	-175.2	99.3	0	0	0	0	110.9	H269 E273 W274	H269-S271 WeakPolarHBondContact NE2-CA 3.2Å; S271-E273 VanDerWaalsContact CB-OE2 3.27Å; S271-E273 WeakPolarHBondContact CB-OE2 3Å; S271-E273 PolarHBondContact O-N 3.2Å; S271-E273 PolarHBondContact OG-OE2 3.41Å; S271-W274 WeakPolarHBondContact O-CB 3.43Å; S271-W274 PolarHBondContact O-N 3.21Å; S271-W274 VanDerWaalsContact O-N 3.09Å; S271-W274 PolarHBondContact OG-NE1 3.47Å; S271-W274 VanDerWaalsContact OG-NE1 3.09Å
272	P	94.9	Very high	95.2	Very high	26 Å²	26	28.9 Å²	28.9	17%	0.169	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-61.6	-23.9	178.2	25.7	-34.7	0	0	0	112.3	W274 I275 T276 P434 P525 V526	P272-W274 PolarHBondContact O-N 3.09Å; P272-I275 WeakPolarHBondContact O-CG1 3.23Å; P272-I275 PolarHBondContact O-N 3.1Å; P272-T276 VanDerWaalsContact O-CB 3.29Å; P272-T276 WeakPolarHBondContact O-CB 3.44Å; P272-T276 PolarHBondContact O-N 3.21Å; P272-T276 PolarHBondContact O-OG1 3Å; P272-P434 HydrophobicContact CB-CB 4.45Å; P272-P434 HydrophobicContact CB-CG 4.13Å; P272-P525 HydrophobicContact CB-CG 4.12Å; P272-P525 HydrophobicContact CG-CG 3.9Å; P272-V526 HydrophobicContact CB-CG2 4.14Å
273	E	94.8	Very high	95.2	Very high	79 Å²	79	34.2 Å²	34.2	37%	0.369	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-61.7	-22.9	175.1	-62	76.1	-169.7	0	0	112.7	S271 I275	S271-E273 VanDerWaalsContact CB-OE2 3.27Å; S271-E273 WeakPolarHBondContact CB-OE2 3Å; S271-E273 PolarHBondContact O-N 3.2Å; S271-E273 PolarHBondContact OG-OE2 3.41Å; E273-I275 VanDerWaalsContact C-N 3.31Å
274	W	94.2	Very high	95.2	Very high	21 Å²	21	34.5 Å²	34.5	8%	0.08	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-75.6	-16.9	174.6	-61.1	-14.7	0	0	0	113.9	I270 S271 P272 M280 S284 F285 N287 L288 A291 L296 W298	I270-W274 HydrophobicContact CB-CZ3 4.39Å; I270-W274 HydrophobicContact CG2-CE3 3.61Å; I270-W274 HydrophobicContact CG2-CZ3 3.8Å; S271-W274 WeakPolarHBondContact O-CB 3.43Å; S271-W274 PolarHBondContact O-N 3.21Å; S271-W274 VanDerWaalsContact O-N 3.09Å; S271-W274 PolarHBondContact OG-NE1 3.47Å; S271-W274 VanDerWaalsContact OG-NE1 3.09Å; P272-W274 PolarHBondContact O-N 3.09Å; W274-M280 WeakPolarHBondContact O-CE 3.3Å; W274-S284 PolarHBondContact NE1-O 3.34Å; W274-F285 HydrophobicContact CB-CD1 4.26Å; W274-F285 HydrophobicContact CB-CE1 3.68Å; W274-F285 HydrophobicContact CB-CZ 4.43Å; W274-F285 AromaticContact CD1-CD1 3.53Å; W274-F285 AromaticContact CD1-CE1 3.81Å; W274-F285 AromaticContact CG-CD1 3.92Å; W274-F285 HydrophobicContact CG-CD1 3.92Å; W274-F285 AromaticContact CG-CE1 3.86Å; W274-F285 HydrophobicContact CG-CE1 3.86Å; W274-N287 WeakPolarHBondContact CZ2-OD1 3.48Å; W274-N287 PolarHBondContact NE1-OD1 3.18Å; W274-L288 HydrophobicContact CD2-CD1 4.04Å; W274-L288 HydrophobicContact CE3-CD1 3.89Å; W274-L288 HydrophobicContact CH2-CD1 3.76Å; W274-L288 HydrophobicContact CZ2-CB 4.11Å; W274-L288 HydrophobicContact CZ2-CD1 3.86Å; W274-L288 HydrophobicContact CZ3-CD1 3.75Å; W274-A291 HydrophobicContact CH2-CB 3.55Å; W274-A291 HydrophobicContact CZ2-CB 4.11Å; W274-L296 HydrophobicContact CH2-CD2 4.33Å; W274-L296 HydrophobicContact CZ3-CD2 4.07Å; W274-W298 HydrophobicContact CH2-CZ2 4.49Å
275	I	94.4	Very high	95	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.031	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-1.3	-174.5	67.7	177.9	0	0	0	113.9	L46 V50 P272 E273 H433 P434 L435 V526	L46-I275 HydrophobicContact CD1-CG2 4.15Å; L46-I275 HydrophobicContact CD2-CG2 4.05Å; L46-I275 HydrophobicContact CG-CG2 4.26Å; V50-I275 HydrophobicContact CG2-CB 4.37Å; P272-I275 WeakPolarHBondContact O-CG1 3.23Å; P272-I275 PolarHBondContact O-N 3.1Å; E273-I275 VanDerWaalsContact C-N 3.31Å; I275-H433 WeakPolarHBondContact CD1-CE1 3.23Å; I275-P434 HydrophobicContact CD1-CB 4Å; I275-P434 HydrophobicContact CG1-CB 4.01Å; I275-L435 HydrophobicContact CB-CD2 4.09Å; I275-L435 HydrophobicContact CB-CG 4.42Å; I275-L435 HydrophobicContact CD1-CG 4.22Å; I275-V526 HydrophobicContact CD1-CB 4.24Å; I275-V526 HydrophobicContact CD1-CG1 3.65Å; I275-V526 HydrophobicContact CD1-CG2 3.72Å; I275-V526 HydrophobicContact CG1-CG2 4.4Å
276	T	96.2	Very high	95	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.049	21%	0.211	C	C	.	.			trans	-100.6	89	179.9	-53.4	0	0	0	0	109.6	P272 S278 Q279 M280	P272-T276 VanDerWaalsContact O-CB 3.29Å; P272-T276 WeakPolarHBondContact O-CB 3.44Å; P272-T276 PolarHBondContact O-N 3.21Å; P272-T276 PolarHBondContact O-OG1 3Å; T276-S278 PolarHBondContact O-N 3.43Å; T276-Q279 HydrophobicContact CG2-CG 4.41Å; T276-Q279 PolarHBondContact O-N 3.47Å; T276-M280 PolarHBondContact O-N 3.33Å
277	A	95.6	Very high	94.8	Very high	2 Å²	2	42 Å²	42	2%	0.017	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-53.1	-33.3	-172.6	0	0	0	0	0	114.3	Q53 L54 V57 Q279 M280	Q53-A277 HydrophobicContact CB-CB 3.53Å; L54-A277 HydrophobicContact CD2-CB 4Å; L54-A277 HydrophobicContact CG-CB 3.96Å; V57-A277 HydrophobicContact CG2-CB 4.24Å; A277-Q279 PolarHBondContact O-N 3.13Å; A277-M280 PolarHBondContact O-N 2.88Å
278	S	95.4	Very high	94.3	Very high	68 Å²	68	42.5 Å²	42.5	48%	0.476	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-67.3	-13.6	179.8	56.3	0	0	0	0	115	T276	T276-S278 PolarHBondContact O-N 3.43Å
279	Q	94.6	Very high	93.8	Very high	128 Å²	128	42.4 Å²	42.4	60%	0.598	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-124.5	4.4	179.6	-59.9	177.9	10.4	0	0	112.1	T276 A277	T276-Q279 HydrophobicContact CG2-CG 4.41Å; T276-Q279 PolarHBondContact O-N 3.47Å; A277-Q279 PolarHBondContact O-N 3.13Å
280	M	95.3	Very high	93.6	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.039	23%	0.234	C	C	.	.			trans	-78	131.2	-169.4	-169.6	177.1	-67.5	0	0	112.1	V50 L54 L69 Y72 W274 T276 A277 F285	V50-M280 HydrophobicContact CG1-CE 3.62Å; V50-M280 HydrophobicContact CG1-SD 4.03Å; L54-M280 HydrophobicContact CD1-SD 4Å; L54-M280 HydrophobicContact CD2-CB 4.35Å; L54-M280 HydrophobicContact CD2-SD 4.26Å; L54-M280 HydrophobicContact CG-SD 4.47Å; L69-M280 HydrophobicContact CD1-SD 3.71Å; Y72-M280 HydrophobicContact CD2-CG 3.82Å; Y72-M280 HydrophobicContact CD2-SD 4.3Å; Y72-M280 HydrophobicContact CE2-CB 4.4Å; Y72-M280 HydrophobicContact CE2-CG 4.03Å; Y72-M280 VanDerWaalsContact CE2-O 3.3Å; Y72-M280 WeakPolarHBondContact CE2-O 3.49Å; Y72-M280 PolarHBondContact OH-O 2.98Å; W274-M280 WeakPolarHBondContact O-CE 3.3Å; T276-M280 PolarHBondContact O-N 3.33Å; A277-M280 PolarHBondContact O-N 2.88Å; M280-F285 HydrophobicContact CE-CZ 4.05Å; M280-F285 HydrophobicContact CG-CE2 3.64Å; M280-F285 HydrophobicContact CG-CZ 4.04Å; M280-F285 HydrophobicContact SD-CE2 3.76Å; M280-F285 HydrophobicContact SD-CZ 3.71Å
281	S	95.8	Very high	93.4	Very high	40 Å²	40	41.3 Å²	41.3	28%	0.28	23%	0.225	S	C	.	.			trans	-150.8	176	-179.4	67.2	0	0	0	0	111.1	N283 S284	S281-N283 PolarHBondContact O-N 3.45Å; S281-N283 PolarHBondContact OG-N 2.56Å; S281-S284 PolarHBondContact N-OG 3.37Å; S281-S284 VanDerWaalsContact O-CB 3.23Å; S281-S284 WeakPolarHBondContact O-CB 3.45Å; S281-S284 PolarHBondContact O-N 2.84Å; S281-S284 VanDerWaalsContact O-N 3.07Å; S281-S284 PolarHBondContact O-OG 3.1Å; S281-S284 PolarHBondContact OG-OG 3.31Å
282	L	94.6	Very high	92.8	Very high	99 Å²	99	42.3 Å²	42.3	52%	0.518	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-55.4	-35.1	169.9	-176.8	148.5	0	0	0	112.3	Y72 S284 F285 I286	Y72-L282 HydrophobicContact CD1-CB 4.34Å; L282-S284 VanDerWaalsContact C-N 3.27Å; L282-S284 PolarHBondContact O-N 3.16Å; L282-F285 PolarHBondContact O-N 2.91Å; L282-I286 HydrophobicContact CD2-CG1 4.48Å
283	N	96.1	Very high	92.3	Very high	117 Å²	117	42.4 Å²	42.4	63%	0.626	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-65.8	-31.1	178.5	-71.3	-16.9	0	0	0	112.5	S281 F285 I286	S281-N283 PolarHBondContact O-N 3.45Å; S281-N283 PolarHBondContact OG-N 2.56Å; N283-F285 PolarHBondContact O-N 3.01Å; N283-I286 HydrophobicContact CB-CD1 4.34Å; N283-I286 PolarHBondContact O-N 3.18Å
284	S	94.7	Very high	92.2	Very high	13 Å²	13	38.7 Å²	38.7	9%	0.091	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-57.6	-34.8	179.7	-51.9	0	0	0	0	112	W274 S281 L282 N287	W274-S284 PolarHBondContact NE1-O 3.34Å; S281-S284 PolarHBondContact N-OG 3.37Å; S281-S284 VanDerWaalsContact O-CB 3.23Å; S281-S284 WeakPolarHBondContact O-CB 3.45Å; S281-S284 PolarHBondContact O-N 2.84Å; S281-S284 VanDerWaalsContact O-N 3.07Å; S281-S284 PolarHBondContact O-OG 3.1Å; S281-S284 PolarHBondContact OG-OG 3.31Å; L282-S284 VanDerWaalsContact C-N 3.27Å; L282-S284 PolarHBondContact O-N 3.16Å; S284-N287 PolarHBondContact O-OD1 3.18Å
285	F	92.1	Very high	92	Very high	11 Å²	11	38.3 Å²	38.3	5%	0.048	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-104	4	-173.2	-58.5	-79.4	0	0	0	115.1	L69 Y72 L73 P74 W274 M280 L282 N283 N287 L288	L69-F285 HydrophobicContact CD1-CZ 4.22Å; Y72-F285 HydrophobicContact CD2-CE2 4.43Å; L73-F285 HydrophobicContact CD2-CB 4.31Å; L73-F285 HydrophobicContact CD2-CD1 3.79Å; L73-F285 HydrophobicContact CD2-CD2 4.33Å; L73-F285 HydrophobicContact CD2-CE1 4.1Å; L73-F285 HydrophobicContact CD2-CG 3.9Å; L73-F285 HydrophobicContact CD2-CZ 4.5Å; P74-F285 HydrophobicContact CG-CB 4.44Å; P74-F285 VanDerWaalsContact CG-O 3.23Å; P74-F285 WeakPolarHBondContact CG-O 3.27Å; W274-F285 HydrophobicContact CB-CD1 4.26Å; W274-F285 HydrophobicContact CB-CE1 3.68Å; W274-F285 HydrophobicContact CB-CZ 4.43Å; W274-F285 AromaticContact CD1-CD1 3.53Å; W274-F285 AromaticContact CD1-CE1 3.81Å; W274-F285 AromaticContact CG-CD1 3.92Å; W274-F285 HydrophobicContact CG-CD1 3.92Å; W274-F285 AromaticContact CG-CE1 3.86Å; W274-F285 HydrophobicContact CG-CE1 3.86Å; M280-F285 HydrophobicContact CE-CZ 4.05Å; M280-F285 HydrophobicContact CG-CE2 3.64Å; M280-F285 HydrophobicContact CG-CZ 4.04Å; M280-F285 HydrophobicContact SD-CE2 3.76Å; M280-F285 HydrophobicContact SD-CZ 3.71Å; L282-F285 PolarHBondContact O-N 2.91Å; N283-F285 PolarHBondContact O-N 3.01Å; F285-N287 PolarHBondContact O-N 3.13Å; F285-L288 HydrophobicContact CB-CB 4.34Å; F285-L288 HydrophobicContact CD1-CD2 3.93Å; F285-L288 VanDerWaalsContact O-CB 3.3Å; F285-L288 WeakPolarHBondContact O-CB 3.33Å; F285-L288 PolarHBondContact O-N 2.86Å; F285-L288 VanDerWaalsContact O-N 3.07Å
286	I	94.2	Very high	91.8	Very high	108 Å²	108	39 Å²	39	55%	0.554	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.1	178.6	-70.3	175.6	0	0	0	111.6	L282 N283	L282-I286 HydrophobicContact CD2-CG1 4.48Å; N283-I286 HydrophobicContact CB-CD1 4.34Å; N283-I286 PolarHBondContact O-N 3.18Å
287	N	92.4	Very high	91.8	Very high	50 Å²	50	38.6 Å²	38.6	27%	0.267	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.1	-176.9	73.2	-22.2	0	0	0	113.4	W274 S284 F285 T290 A291 W298	W274-N287 WeakPolarHBondContact CZ2-OD1 3.48Å; W274-N287 PolarHBondContact NE1-OD1 3.18Å; S284-N287 PolarHBondContact O-OD1 3.18Å; F285-N287 PolarHBondContact O-N 3.13Å; N287-T290 WeakPolarHBondContact O-CB 3.45Å; N287-T290 PolarHBondContact O-N 2.93Å; N287-A291 PolarHBondContact O-N 2.84Å; N287-W298 HydrophobicContact CB-CH2 3.92Å
288	L	85.8	Confident	91.9	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-56.1	-49.6	-176.2	179	64.9	0	0	0	112.3	L73 L79 W274 F285 T290 A291 L292	L73-L288 HydrophobicContact CD2-CD2 3.94Å; L79-L288 HydrophobicContact CD1-CD2 3.88Å; L79-L288 HydrophobicContact CD1-CG 4.11Å; W274-L288 HydrophobicContact CD2-CD1 4.04Å; W274-L288 HydrophobicContact CE3-CD1 3.89Å; W274-L288 HydrophobicContact CH2-CD1 3.76Å; W274-L288 HydrophobicContact CZ2-CB 4.11Å; W274-L288 HydrophobicContact CZ2-CD1 3.86Å; W274-L288 HydrophobicContact CZ3-CD1 3.75Å; F285-L288 HydrophobicContact CB-CB 4.34Å; F285-L288 HydrophobicContact CD1-CD2 3.93Å; F285-L288 VanDerWaalsContact O-CB 3.3Å; F285-L288 WeakPolarHBondContact O-CB 3.33Å; F285-L288 PolarHBondContact O-N 2.86Å; F285-L288 VanDerWaalsContact O-N 3.07Å; L288-T290 VanDerWaalsContact C-N 3.28Å; L288-T290 PolarHBondContact O-N 3.19Å; L288-A291 WeakPolarHBondContact O-CB 3.09Å; L288-A291 PolarHBondContact O-N 3.07Å; L288-L292 HydrophobicContact CD1-CD2 3.54Å; L288-L292 HydrophobicContact CD1-CG 4.04Å; L288-L292 HydrophobicContact CG-CD1 4.44Å; L288-L292 HydrophobicContact CG-CD2 4.22Å; L288-L292 HydrophobicContact CG-CG 4.18Å; L288-L292 VanDerWaalsContact O-CG 3.29Å; L288-L292 WeakPolarHBondContact O-CG 3.22Å; L288-L292 PolarHBondContact O-N 3.07Å
289	P	86.5	Confident	92	Very high	10 Å²	10	36.4 Å²	36.4	7%	0.065	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-38.1	-178.4	-22.1	33.8	0	0	0	112.9	P74 K76 L77 L79 L292 T293	P74-P289 HydrophobicContact CB-CG 3.91Å; P74-P289 HydrophobicContact CG-CG 3.81Å; K76-P289 HydrophobicContact CB-CB 4.05Å; K76-P289 HydrophobicContact CB-CG 3.91Å; K76-P289 HydrophobicContact CD-CG 4.48Å; L77-P289 HydrophobicContact CD1-CB 3.88Å; L77-P289 HydrophobicContact CG-CB 4.26Å; L79-P289 HydrophobicContact CD1-CG 4.09Å; P289-L292 PolarHBondContact O-N 2.82Å; P289-T293 PolarHBondContact O-N 3.14Å; P289-T293 VanDerWaalsContact O-N 3.1Å; P289-T293 PolarHBondContact O-OG1 3.38Å; P289-T293 VanDerWaalsContact O-OG1 3.09Å
290	T	91.4	Very high	92.1	Very high	55 Å²	55	30.5 Å²	30.5	34%	0.337	17%	0.166	S	C	.	.	H	α-helix	trans	-63.7	-44.9	175.1	-66.4	0	0	0	0	110.9	T195 N287 L288 T293 N294	T195-T290 HydrophobicContact CG2-CG2 3.8Å; N287-T290 WeakPolarHBondContact O-CB 3.45Å; N287-T290 PolarHBondContact O-N 2.93Å; L288-T290 VanDerWaalsContact C-N 3.28Å; L288-T290 PolarHBondContact O-N 3.19Å; T290-T293 PolarHBondContact O-N 2.99Å; T290-T293 PolarHBondContact O-OG1 2.98Å; T290-N294 WeakPolarHBondContact O-CB 3.34Å; T290-N294 PolarHBondContact O-N 3.47Å; T290-N294 VanDerWaalsContact O-N 3.13Å
291	A	87.3	Confident	92.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-44.7	176.9	0	0	0	0	0	111.9	W274 N287 L288 T293 N294 E295 L296 W298	W274-A291 HydrophobicContact CH2-CB 3.55Å; W274-A291 HydrophobicContact CZ2-CB 4.11Å; N287-A291 PolarHBondContact O-N 2.84Å; L288-A291 WeakPolarHBondContact O-CB 3.09Å; L288-A291 PolarHBondContact O-N 3.07Å; A291-T293 PolarHBondContact O-N 2.85Å; A291-N294 CarbonylContact O-C 3.57Å; A291-N294 VanDerWaalsContact O-C 3.31Å; A291-N294 WeakPolarHBondContact O-CA 3.38Å; A291-N294 PolarHBondContact O-N 3.45Å; A291-E295 PolarHBondContact O-N 2.83Å; A291-L296 HydrophobicContact CB-CD2 4.14Å; A291-L296 WeakPolarHBondContact O-CA 3.28Å; A291-L296 PolarHBondContact O-N 3.05Å; A291-W298 HydrophobicContact CB-CH2 4.11Å; A291-W298 HydrophobicContact CB-CZ2 3.51Å
292	L	81.9	Confident	92.1	Very high	23 Å²	23	29.2 Å²	29.2	12%	0.12	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-44.8	178.8	-57.2	-162.5	0	0	0	111.5	L19 L77 L79 L288 P289 N294 E295 L296	L19-L292 HydrophobicContact CD1-CD1 4.14Å; L19-L292 HydrophobicContact CD1-CD2 3.62Å; L19-L292 HydrophobicContact CD1-CG 4.39Å; L19-L292 HydrophobicContact CD2-CB 4.28Å; L19-L292 HydrophobicContact CD2-CD2 3.71Å; L19-L292 HydrophobicContact CD2-CG 4.46Å; L19-L292 HydrophobicContact CG-CD2 4.27Å; L77-L292 HydrophobicContact CD1-CB 4.11Å; L77-L292 HydrophobicContact CD1-CD1 4.26Å; L79-L292 HydrophobicContact CD1-CD1 4.16Å; L79-L292 HydrophobicContact CD2-CD1 3.71Å; L288-L292 HydrophobicContact CD1-CD2 3.54Å; L288-L292 HydrophobicContact CD1-CG 4.04Å; L288-L292 HydrophobicContact CG-CD1 4.44Å; L288-L292 HydrophobicContact CG-CD2 4.22Å; L288-L292 HydrophobicContact CG-CG 4.18Å; L288-L292 VanDerWaalsContact O-CG 3.29Å; L288-L292 WeakPolarHBondContact O-CG 3.22Å; L288-L292 PolarHBondContact O-N 3.07Å; P289-L292 PolarHBondContact O-N 2.82Å; L292-N294 PolarHBondContact O-N 2.98Å; L292-E295 PolarHBondContact O-N 2.95Å; L292-L296 HydrophobicContact CD2-CD2 3.86Å
293	T	85.9	Confident	91.9	Very high	28 Å²	28	24.5 Å²	24.5	17%	0.172	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.4	176.8	58.1	0	0	0	0	114	L77 T195 L196 P289 T290 A291	L77-T293 HydrophobicContact CD1-CG2 3.99Å; L77-T293 HydrophobicContact CD2-CG2 4.24Å; T195-T293 WeakPolarHBondContact CB-OG1 3.19Å; T195-T293 WeakPolarHBondContact CG2-OG1 3.37Å; T195-T293 WeakPolarHBondContact OG1-CB 3.33Å; T195-T293 PolarHBondContact OG1-OG1 2.81Å; L196-T293 WeakPolarHBondContact CA-O 3.27Å; L196-T293 HydrophobicContact CD2-CG2 4.15Å; L196-T293 HydrophobicContact CG-CG2 4.44Å; L196-T293 PolarHBondContact N-O 3.48Å; P289-T293 PolarHBondContact O-N 3.14Å; P289-T293 VanDerWaalsContact O-N 3.1Å; P289-T293 PolarHBondContact O-OG1 3.38Å; P289-T293 VanDerWaalsContact O-OG1 3.09Å; T290-T293 PolarHBondContact O-N 2.99Å; T290-T293 PolarHBondContact O-OG1 2.98Å; A291-T293 PolarHBondContact O-N 2.85Å
294	N	91.8	Very high	91.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	17.1	170.4	-104.9	16.6	0	0	0	112.2	T195 H200 W201 T290 A291 L292 L296 D297 Q300	T195-N294 VanDerWaalsContact CA-OD1 3.28Å; T195-N294 WeakPolarHBondContact CA-OD1 3.41Å; T195-N294 WeakPolarHBondContact CB-OD1 3.31Å; T195-N294 WeakPolarHBondContact CG2-OD1 3.45Å; H200-N294 PolarHBondContact ND1-ND2 3.05Å; H200-N294 VanDerWaalsContact ND1-ND2 3.2Å; W201-N294 HydrophobicContact CZ2-CB 4.47Å; W201-N294 WeakPolarHBondContact CZ2-O 3.09Å; W201-N294 PolarHBondContact NE1-OD1 3.13Å; T290-N294 WeakPolarHBondContact O-CB 3.34Å; T290-N294 PolarHBondContact O-N 3.47Å; T290-N294 VanDerWaalsContact O-N 3.13Å; A291-N294 CarbonylContact O-C 3.57Å; A291-N294 VanDerWaalsContact O-C 3.31Å; A291-N294 WeakPolarHBondContact O-CA 3.38Å; A291-N294 PolarHBondContact O-N 3.45Å; L292-N294 PolarHBondContact O-N 2.98Å; N294-L296 PolarHBondContact O-N 3.46Å; N294-D297 VanDerWaalsContact CB-O 3.27Å; N294-D297 WeakPolarHBondContact CB-O 3.49Å; N294-D297 PolarHBondContact ND2-O 3.32Å; N294-D297 VanDerWaalsContact ND2-O 3.13Å; N294-D297 WeakPolarHBondContact O-CB 3.49Å; N294-D297 PolarHBondContact O-N 3.45Å; N294-Q300 PolarHBondContact ND2-OE1 3.27Å
295	E	89.2	Confident	91.8	Very high	14 Å²	14	18.3 Å²	18.3	7%	0.065	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	22.5	177.3	-56.8	160	-124.2	0	0	113.9	S22 M176 R197 A291 L292 D297 N340	S22-E295 WeakPolarHBondContact CB-O 3.47Å; M176-E295 HydrophobicContact CE-CG 3.85Å; R197-E295 IonicContact CZ-OE1 3.67Å; R197-E295 VanDerWaalsContact CZ-OE1 3.3Å; R197-E295 IonicContact CZ-OE2 2.76Å; R197-E295 IonicContact NE-OE1 2.83Å; R197-E295 PolarHBondContact NE-OE1 3.38Å; R197-E295 IonicContact NE-OE2 2.71Å; R197-E295 IonicContact NH2-OE1 3.7Å; R197-E295 PolarHBondContact NH2-OE1 3.18Å; R197-E295 IonicContact NH2-OE2 3.33Å; R197-E295 PolarHBondContact NH2-OE2 3.18Å; A291-E295 PolarHBondContact O-N 2.83Å; L292-E295 PolarHBondContact O-N 2.95Å; E295-D297 VanDerWaalsContact C-N 3.3Å; E295-N340 PolarHBondContact O-ND2 3.15Å
296	L	90.6	Very high	91.9	Very high	20 Å²	20	18 Å²	18	11%	0.105	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	13.5	-170	-55.4	170.6	0	0	0	115.3	L19 F268 H269 I270 W274 A291 L292 N294 W298	L19-L296 HydrophobicContact CD2-CD1 4.44Å; L19-L296 HydrophobicContact CD2-CD2 4.46Å; L19-L296 HydrophobicContact CD2-CG 4.2Å; F268-L296 HydrophobicContact CD2-CB 3.97Å; F268-L296 HydrophobicContact CE2-CB 3.62Å; F268-L296 HydrophobicContact CE2-CD1 4.01Å; F268-L296 HydrophobicContact CE2-CG 4.44Å; F268-L296 HydrophobicContact CZ-CB 4.21Å; F268-L296 HydrophobicContact CZ-CD1 4.06Å; H269-L296 PolarHBondContact N-O 3.47Å; I270-L296 HydrophobicContact CD1-CD1 4.29Å; I270-L296 HydrophobicContact CG1-CD1 4.15Å; W274-L296 HydrophobicContact CH2-CD2 4.33Å; W274-L296 HydrophobicContact CZ3-CD2 4.07Å; A291-L296 HydrophobicContact CB-CD2 4.14Å; A291-L296 WeakPolarHBondContact O-CA 3.28Å; A291-L296 PolarHBondContact O-N 3.05Å; L292-L296 HydrophobicContact CD2-CD2 3.86Å; N294-L296 PolarHBondContact O-N 3.46Å; L296-W298 PolarHBondContact O-NE1 3.4Å
297	D	96.1	Very high	92	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-96.6	150.8	179.5	-59.1	-32	0	0	0	113.5	W201 A266 F268 N294 E295 P299 N340	W201-D297 HydrophobicContact CH2-CB 3.75Å; W201-D297 WeakPolarHBondContact CH2-OD2 3.46Å; W201-D297 HydrophobicContact CZ2-CB 4.15Å; A266-D297 HydrophobicContact CB-CB 3.71Å; A266-D297 VanDerWaalsContact CB-CG 3.43Å; A266-D297 WeakPolarHBondContact CB-OD2 3.4Å; F268-D297 VanDerWaalsContact CA-OD1 3.31Å; F268-D297 WeakPolarHBondContact CA-OD1 3.37Å; F268-D297 WeakPolarHBondContact CB-OD1 3.21Å; F268-D297 WeakPolarHBondContact CD2-OD1 3.12Å; N294-D297 VanDerWaalsContact CB-O 3.27Å; N294-D297 WeakPolarHBondContact CB-O 3.49Å; N294-D297 PolarHBondContact ND2-O 3.32Å; N294-D297 VanDerWaalsContact ND2-O 3.13Å; N294-D297 WeakPolarHBondContact O-CB 3.49Å; N294-D297 PolarHBondContact O-N 3.45Å; E295-D297 VanDerWaalsContact C-N 3.3Å; D297-P299 WeakPolarHBondContact O-CD 3.43Å; D297-N340 VanDerWaalsContact CG-ND2 3.3Å; D297-N340 PolarHBondContact OD1-ND2 3.35Å; D297-N340 PolarHBondContact OD1-OD1 3.19Å; D297-N340 VanDerWaalsContact OD1-OD1 3.06Å; D297-N340 PolarHBondContact OD2-ND2 3.21Å; D297-N340 PolarHBondContact OD2-OD1 3.41Å
298	W	97.7	Very high	92.2	Very high	23 Å²	23	16.8 Å²	16.8	9%	0.087	9%	0.089	C	C	.	.			trans	-124.8	57.4	-179.5	-55.8	76.2	0	0	0	110.8	A266 H267 H269 W274 N287 A291 L296 Q300 L301 S302	A266-W298 CarbonylContact O-C 3.52Å; A266-W298 PolarHBondContact O-N 3.48Å; H267-W298 HydrophobicContact CB-CB 4.5Å; H267-W298 PolarHBondContact O-N 3.29Å; H269-W298 HydrophobicContact CB-CG 4.48Å; H269-W298 AromaticContact CD2-CE2 3.98Å; H269-W298 AromaticContact CD2-NE1 3.65Å; H269-W298 PolarHBondContact O-NE1 2.76Å; W274-W298 HydrophobicContact CH2-CZ2 4.49Å; N287-W298 HydrophobicContact CB-CH2 3.92Å; A291-W298 HydrophobicContact CB-CH2 4.11Å; A291-W298 HydrophobicContact CB-CZ2 3.51Å; L296-W298 PolarHBondContact O-NE1 3.4Å; W298-Q300 VanDerWaalsContact C-OE1 3.3Å; W298-Q300 VanDerWaalsContact CE3-NE2 3.3Å; W298-Q300 PolarHBondContact O-N 3.05Å; W298-Q300 VanDerWaalsContact O-N 3.1Å; W298-L301 HydrophobicContact CB-CB 4.3Å; W298-L301 HydrophobicContact CB-CD1 4.48Å; W298-L301 HydrophobicContact CE3-CD1 4.15Å; W298-L301 CarbonylContact O-C 3.55Å; W298-L301 WeakPolarHBondContact O-CA 3.36Å; W298-L301 PolarHBondContact O-N 3.47Å; W298-S302 PolarHBondContact O-N 3.23Å
299	P	97.4	Very high	92.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.5	-177	23.3	-34.6	0	0	0	112.7	H200 W201 A266 D297 L301 S302 T305 G306 N336	H200-P299 HydrophobicContact CB-CG 4.23Å; H200-P299 CarbonylContact O-C 3.59Å; H200-P299 WeakPolarHBondContact O-CB 3.18Å; H200-P299 VanDerWaalsContact O-CG 3.31Å; H200-P299 WeakPolarHBondContact O-CG 3.26Å; W201-P299 HydrophobicContact CD2-CB 4.39Å; W201-P299 HydrophobicContact CD2-CG 3.64Å; W201-P299 HydrophobicContact CE3-CB 4.19Å; W201-P299 HydrophobicContact CE3-CG 3.85Å; W201-P299 HydrophobicContact CG-CG 4Å; W201-P299 HydrophobicContact CH2-CG 4.43Å; W201-P299 HydrophobicContact CZ2-CG 4.24Å; W201-P299 HydrophobicContact CZ3-CG 4.22Å; A266-P299 WeakPolarHBondContact O-CA 3.07Å; A266-P299 WeakPolarHBondContact O-CD 3.17Å; D297-P299 WeakPolarHBondContact O-CD 3.43Å; P299-L301 PolarHBondContact O-N 3.1Å; P299-S302 WeakPolarHBondContact O-CB 3.33Å; P299-S302 PolarHBondContact O-N 3.22Å; P299-S302 PolarHBondContact O-OG 2.96Å; P299-T305 PolarHBondContact O-OG1 3.37Å; P299-G306 WeakPolarHBondContact O-CA 3.36Å; P299-G306 PolarHBondContact O-N 3.02Å; P299-N336 HydrophobicContact CB-CB 3.98Å
300	Q	97.4	Very high	92.3	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.019	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.3	173.7	75.1	-74.7	0.2	0	0	115	H200 N294 W298 G306 F307 L308	H200-Q300 HydrophobicContact CB-CB 4.19Å; H200-Q300 PolarHBondContact ND1-OE1 3.19Å; H200-Q300 PolarHBondContact O-N 3.23Å; N294-Q300 PolarHBondContact ND2-OE1 3.27Å; W298-Q300 VanDerWaalsContact C-OE1 3.3Å; W298-Q300 VanDerWaalsContact CE3-NE2 3.3Å; W298-Q300 PolarHBondContact O-N 3.05Å; W298-Q300 VanDerWaalsContact O-N 3.1Å; Q300-G306 VanDerWaalsContact C-CA 3.42Å; Q300-G306 CarbonylContact O-C 3.54Å; Q300-G306 WeakPolarHBondContact O-CA 3.36Å; Q300-F307 HydrophobicContact CB-CD1 4.02Å; Q300-F307 HydrophobicContact CB-CE1 3.35Å; Q300-F307 HydrophobicContact CB-CE2 4.33Å; Q300-F307 HydrophobicContact CB-CZ 3.54Å; Q300-F307 PolarHBondContact O-N 3.11Å; Q300-L308 HydrophobicContact CB-CD1 4.25Å; Q300-L308 HydrophobicContact CB-CG 4.28Å; Q300-L308 HydrophobicContact CG-CD1 3.58Å; Q300-L308 HydrophobicContact CG-CG 4.14Å; Q300-L308 PolarHBondContact O-N 2.98Å; Q300-L308 VanDerWaalsContact O-N 3.16Å
301	L	95.9	Very high	92	Very high	22 Å²	22	25.2 Å²	25.2	12%	0.115	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-3.7	170.5	-68.2	171.9	0	0	0	112.6	W298 P299 L308 D309 T311	W298-L301 HydrophobicContact CB-CB 4.3Å; W298-L301 HydrophobicContact CB-CD1 4.48Å; W298-L301 HydrophobicContact CE3-CD1 4.15Å; W298-L301 CarbonylContact O-C 3.55Å; W298-L301 WeakPolarHBondContact O-CA 3.36Å; W298-L301 PolarHBondContact O-N 3.47Å; P299-L301 PolarHBondContact O-N 3.1Å; L301-L308 HydrophobicContact CD2-CB 3.91Å; L301-D309 WeakPolarHBondContact CD2-O 3.42Å; L301-T311 HydrophobicContact CD1-CG2 3.97Å; L301-T311 HydrophobicContact CD2-CG2 4.46Å
302	S	94.7	Very high	91.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-62.4	146.9	-179.3	75.9	0	0	0	0	112	W298 P299 A304 T305 G306 N336	W298-S302 PolarHBondContact O-N 3.23Å; P299-S302 WeakPolarHBondContact O-CB 3.33Å; P299-S302 PolarHBondContact O-N 3.22Å; P299-S302 PolarHBondContact O-OG 2.96Å; S302-A304 PolarHBondContact O-N 3.43Å; S302-T305 PolarHBondContact OG-N 3.36Å; S302-T305 PolarHBondContact OG-OG1 2.84Å; S302-T305 VanDerWaalsContact OG-OG1 3.05Å; S302-G306 WeakPolarHBondContact O-CA 3.45Å; S302-G306 PolarHBondContact O-N 3.39Å; S302-N336 PolarHBondContact OG-ND2 3.12Å
303	G	90.6	Very high	91.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-10.4	179	0	0	0	0	0	114.9	S318 I319 S536 K540	G303-S318 CarbonylContact O-C 3.54Å; G303-S318 WeakPolarHBondContact O-CA 3.36Å; G303-S318 WeakPolarHBondContact O-CB 3.4Å; G303-I319 PolarHBondContact O-N 3.29Å; G303-S536 PolarHBondContact N-OG 2.83Å; G303-S536 VanDerWaalsContact N-OG 3.14Å; G303-K540 WeakPolarHBondContact O-CD 3.28Å
304	A	91.3	Very high	90.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-59.9	177.1	0	0	0	0	0	111.6	L259 S302 I319 Y320 K540	L259-A304 HydrophobicContact CB-CB 4.39Å; L259-A304 HydrophobicContact CD2-CB 3.89Å; S302-A304 PolarHBondContact O-N 3.43Å; A304-I319 PolarHBondContact O-N 3.22Å; A304-Y320 WeakPolarHBondContact O-CB 3.27Å; A304-Y320 PolarHBondContact O-N 3.09Å; A304-K540 HydrophobicContact CB-CD 4.13Å
305	T	96.7	Very high	90.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	0.3	-171.2	61	0	0	0	0	113.3	P299 S302 F307 Y334 N336	P299-T305 PolarHBondContact O-OG1 3.37Å; S302-T305 PolarHBondContact OG-N 3.36Å; S302-T305 PolarHBondContact OG-OG1 2.84Å; S302-T305 VanDerWaalsContact OG-OG1 3.05Å; T305-F307 PolarHBondContact O-N 3.33Å; T305-Y334 HydrophobicContact CG2-CD2 4.43Å; T305-N336 HydrophobicContact CG2-CB 3.88Å; T305-N336 WeakPolarHBondContact OG1-CB 3.43Å; T305-N336 PolarHBondContact OG1-ND2 3.18Å
306	G	96.1	Very high	89.8	Confident	4 Å²	4	39.7 Å²	39.7	4%	0.041	22%	0.222	C	C	.	.			trans	-61.1	135.6	-176.8	0	0	0	0	0	112	P299 Q300 S302 S318	P299-G306 WeakPolarHBondContact O-CA 3.36Å; P299-G306 PolarHBondContact O-N 3.02Å; Q300-G306 VanDerWaalsContact C-CA 3.42Å; Q300-G306 CarbonylContact O-C 3.54Å; Q300-G306 WeakPolarHBondContact O-CA 3.36Å; S302-G306 WeakPolarHBondContact O-CA 3.45Å; S302-G306 PolarHBondContact O-N 3.39Å; G306-S318 VanDerWaalsContact O-CB 3.24Å; G306-S318 WeakPolarHBondContact O-CB 3.46Å; G306-S318 PolarHBondContact O-OG 3.41Å
307	F	96.1	Very high	89.6	Confident	49 Å²	49	42.1 Å²	42.1	22%	0.215	23%	0.232	C	C	.	.			trans	-130.2	-13.4	-174.1	61.6	-95.9	0	0	0	113	Y199 Q300 T305 Y320 Y334	Y199-F307 HydrophobicContact CD2-CZ 4.01Å; Y199-F307 HydrophobicContact CE2-CZ 4.33Å; Y199-F307 WeakPolarHBondContact O-CE1 3.31Å; Q300-F307 HydrophobicContact CB-CD1 4.02Å; Q300-F307 HydrophobicContact CB-CE1 3.35Å; Q300-F307 HydrophobicContact CB-CE2 4.33Å; Q300-F307 HydrophobicContact CB-CZ 3.54Å; Q300-F307 PolarHBondContact O-N 3.11Å; T305-F307 PolarHBondContact O-N 3.33Å; F307-Y320 HydrophobicContact CB-CD1 3.88Å; F307-Y320 HydrophobicContact CB-CE1 3.63Å; F307-Y334 HydrophobicContact CD1-CE1 4.2Å; F307-Y334 AromaticContact CD1-CE2 3.84Å; F307-Y334 HydrophobicContact CD1-CE2 3.84Å; F307-Y334 AromaticContact CD1-CZ 3.48Å; F307-Y334 VanDerWaalsContact CD1-CZ 3.48Å; F307-Y334 WeakPolarHBondContact CD1-OH 3.3Å; F307-Y334 AromaticContact CE1-CE2 3.97Å; F307-Y334 HydrophobicContact CE1-CE2 3.97Å; F307-Y334 AromaticContact CE1-CZ 3.74Å; F307-Y334 WeakPolarHBondContact CE1-OH 3.43Å
308	L	95.3	Very high	89.3	Confident	84 Å²	84	42.4 Å²	42.4	44%	0.44	23%	0.234	S	C	.	.	S	Bend	trans	-79	164.1	170.1	-61.3	-175.2	0	0	0	110.7	Q300 L301	Q300-L308 HydrophobicContact CB-CD1 4.25Å; Q300-L308 HydrophobicContact CB-CG 4.28Å; Q300-L308 HydrophobicContact CG-CD1 3.58Å; Q300-L308 HydrophobicContact CG-CG 4.14Å; Q300-L308 PolarHBondContact O-N 2.98Å; Q300-L308 VanDerWaalsContact O-N 3.16Å; L301-L308 HydrophobicContact CD2-CB 3.91Å
309	D	90.1	Very high	89	Confident	127 Å²	127	41.4 Å²	41.4	68%	0.679	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-68	140.7	172.5	-83.8	-50.1	0	0	0	111.9	L301 K317	L301-D309 WeakPolarHBondContact CD2-O 3.42Å; D309-K317 IonicContact OD1-NZ 3.54Å; D309-K317 PolarHBondContact OD1-NZ 3.03Å
310	S	85.9	Confident	88.8	Confident	24 Å²	24	41.8 Å²	41.8	17%	0.168	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-66.3	131.7	-176.1	173.4	0	0	0	0	111.4	V312 E533	S310-V312 PolarHBondContact O-N 3.13Å; S310-V312 WeakPolarHBondContact OG-CG2 3.44Å; S310-V312 PolarHBondContact OG-N 3.03Å; S310-E533 WeakPolarHBondContact CA-OE1 3.39Å; S310-E533 WeakPolarHBondContact CB-OE1 3.39Å; S310-E533 PolarHBondContact OG-OE1 3.07Å
311	T	83.3	Confident	88.6	Confident	106 Å²	106	42.9 Å²	42.9	65%	0.65	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.8	-179.5	74.6	0	0	0	0	112.1	L301 E533	L301-T311 HydrophobicContact CD1-CG2 3.97Å; L301-T311 HydrophobicContact CD2-CG2 4.46Å; T311-E533 WeakPolarHBondContact CB-OE2 3.36Å; T311-E533 PolarHBondContact N-OE1 3.35Å; T311-E533 VanDerWaalsContact N-OE1 3.09Å; T311-E533 PolarHBondContact N-OE2 3.45Å; T311-E533 PolarHBondContact OG1-OE2 2.83Å
312	V	80.3	Confident	88.4	Confident	38 Å²	38	45.2 Å²	45.2	23%	0.23	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5	-172.2	-65.6	0	0	0	0	114.4	S310 I314 E533 R534	S310-V312 PolarHBondContact O-N 3.13Å; S310-V312 WeakPolarHBondContact OG-CG2 3.44Å; S310-V312 PolarHBondContact OG-N 3.03Å; V312-I314 VanDerWaalsContact C-N 3.26Å; V312-I314 HydrophobicContact CB-CD1 4.44Å; V312-I314 HydrophobicContact CB-CG1 4.45Å; V312-I314 HydrophobicContact CG2-CB 4.21Å; V312-I314 HydrophobicContact CG2-CD1 3.79Å; V312-I314 HydrophobicContact CG2-CG1 3.89Å; V312-I314 PolarHBondContact O-N 3.27Å; V312-E533 HydrophobicContact CG1-CB 4.3Å; V312-E533 HydrophobicContact CG2-CB 4.41Å; V312-E533 HydrophobicContact CG2-CG 4.4Å; V312-R534 HydrophobicContact CB-CG 3.84Å; V312-R534 HydrophobicContact CG1-CG 3.78Å; V312-R534 HydrophobicContact CG2-CG 3.87Å
313	G	73.5	Confident	88.1	Confident	74 Å²	74	46 Å²	46	76%	0.763	25%	0.249	S	C	*	.			trans	68.9	19.1	174.2	0	0	0	0	0	115
314	I	75.7	Confident	88.2	Confident	22 Å²	22	50.4 Å²	50.4	11%	0.113	27%	0.266	C	S	.	.			trans	-86.3	140.7	-178	-67.4	-179.3	0	0	0	109.9	V312 E316 W512 R534 I537	V312-I314 VanDerWaalsContact C-N 3.26Å; V312-I314 HydrophobicContact CB-CD1 4.44Å; V312-I314 HydrophobicContact CB-CG1 4.45Å; V312-I314 HydrophobicContact CG2-CB 4.21Å; V312-I314 HydrophobicContact CG2-CD1 3.79Å; V312-I314 HydrophobicContact CG2-CG1 3.89Å; V312-I314 PolarHBondContact O-N 3.27Å; I314-E316 HydrophobicContact CG2-CB 4Å; I314-E316 WeakPolarHBondContact CG2-OE2 3.47Å; I314-W512 HydrophobicContact CD1-CZ3 4.31Å; I314-R534 HydrophobicContact CD1-CB 3.79Å; I314-R534 HydrophobicContact CD1-CG 3.77Å; I314-I537 HydrophobicContact CG2-CG2 4.09Å
315	K	80.1	Confident	88.3	Confident	196 Å²	196	58.4 Å²	58.4	85%	0.852	30%	0.301	S	S	*	.	S	Bend	trans	-74.5	-30.9	-176.5	-74.3	-174.2	177.3	179.9	0	113	K317	K315-K317 PolarHBondContact O-N 3.22Å
316	E	80.8	Confident	88	Confident	40 Å²	40	66 Å²	66	19%	0.187	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-59.3	130.2	176.8	-73.7	79	177.9	0	0	111	I314 R515 I537	I314-E316 HydrophobicContact CG2-CB 4Å; I314-E316 WeakPolarHBondContact CG2-OE2 3.47Å; E316-R515 VanDerWaalsContact CD-NH1 3.26Å; E316-R515 IonicContact OE1-CZ 2.76Å; E316-R515 VanDerWaalsContact OE1-CZ 3.26Å; E316-R515 IonicContact OE1-NH1 2.93Å; E316-R515 PolarHBondContact OE1-NH1 3.3Å; E316-R515 IonicContact OE1-NH2 3.96Å; E316-R515 PolarHBondContact OE1-NH2 2.73Å; E316-R515 IonicContact OE2-NH1 2.97Å; E316-R515 PolarHBondContact OE2-NH1 2.84Å; E316-I537 HydrophobicContact CB-CG2 3.37Å; E316-I537 WeakPolarHBondContact O-CG2 3.33Å
317	K	86.8	Confident	87.8	Confident	71 Å²	71	67.1 Å²	67.1	31%	0.309	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-102.6	166.9	174.4	-60.9	-62.3	-167.6	172.7	0	110.8	D309 K315 L321 R322	D309-K317 IonicContact OD1-NZ 3.54Å; D309-K317 PolarHBondContact OD1-NZ 3.03Å; K315-K317 PolarHBondContact O-N 3.22Å; K317-L321 HydrophobicContact CB-CB 3.89Å; K317-L321 HydrophobicContact CB-CD1 4.16Å; K317-L321 HydrophobicContact CD-CD1 4.07Å; K317-L321 HydrophobicContact CG-CD1 4.41Å; K317-R322 PolarHBondContact O-NE 3.39Å
318	S	90.6	Very high	87.9	Confident	7 Å²	7	70.1 Å²	70.1	5%	0.049	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-61.1	168.5	177.1	68.4	0	0	0	0	113.4	G303 G306 L321 R322	G303-S318 CarbonylContact O-C 3.54Å; G303-S318 WeakPolarHBondContact O-CA 3.36Å; G303-S318 WeakPolarHBondContact O-CB 3.4Å; G306-S318 VanDerWaalsContact O-CB 3.24Å; G306-S318 WeakPolarHBondContact O-CB 3.46Å; G306-S318 PolarHBondContact O-OG 3.41Å; S318-L321 PolarHBondContact O-N 2.87Å; S318-L321 WeakPolarHBondContact OG-CB 3.47Å; S318-L321 WeakPolarHBondContact OG-CG 3.35Å; S318-L321 PolarHBondContact OG-N 3.48Å; S318-R322 VanDerWaalsContact O-CG 3.25Å; S318-R322 WeakPolarHBondContact O-CG 3.11Å; S318-R322 PolarHBondContact O-N 3.31Å; S318-R322 VanDerWaalsContact O-N 3.07Å
319	I	89.7	Confident	88.1	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-58.3	-48.1	171.5	-64.7	178.1	0	0	0	110.8	I257 G303 A304 L321 R322 L323 I367 K540 M544	I257-I319 HydrophobicContact CB-CG2 4.47Å; I257-I319 HydrophobicContact CD1-CG2 3.73Å; I257-I319 HydrophobicContact CG1-CB 4.45Å; I257-I319 HydrophobicContact CG1-CG2 3.78Å; G303-I319 PolarHBondContact O-N 3.29Å; A304-I319 PolarHBondContact O-N 3.22Å; I319-L321 PolarHBondContact O-N 2.9Å; I319-R322 PolarHBondContact O-N 2.98Å; I319-L323 WeakPolarHBondContact O-CB 3.49Å; I319-L323 PolarHBondContact O-N 3.18Å; I319-I367 HydrophobicContact CD1-CD1 3.44Å; I319-I367 VanDerWaalsContact CD1-CD1 3.44Å; I319-K540 HydrophobicContact CD1-CB 4.1Å; I319-K540 HydrophobicContact CD1-CD 4Å; I319-K540 HydrophobicContact CD1-CG 3.94Å; I319-K540 HydrophobicContact CG1-CB 3.93Å; I319-K540 HydrophobicContact CG1-CD 4.34Å; I319-K540 HydrophobicContact CG1-CG 4.29Å; I319-M544 HydrophobicContact CB-CE 4.31Å; I319-M544 HydrophobicContact CD1-CE 4.45Å; I319-M544 HydrophobicContact CG1-CE 4.16Å; I319-M544 HydrophobicContact CG2-CE 3.49Å; I319-M544 VanDerWaalsContact CG2-CE 3.49Å
320	Y	95	Very high	88.4	Confident	7 Å²	7	60.9 Å²	60.9	3%	0.027	30%	0.3	C	S	.	.	H	α-helix	trans	-54.1	-52.9	176.8	165.2	-115	0	0	0	112.3	I257 A304 F307 R322 L323 W324 H331 R332 Y334	I257-Y320 HydrophobicContact CG2-CD2 4.19Å; I257-Y320 HydrophobicContact CG2-CG 4.44Å; A304-Y320 WeakPolarHBondContact O-CB 3.27Å; A304-Y320 PolarHBondContact O-N 3.09Å; F307-Y320 HydrophobicContact CB-CD1 3.88Å; F307-Y320 HydrophobicContact CB-CE1 3.63Å; Y320-R322 VanDerWaalsContact C-N 3.26Å; Y320-R322 PolarHBondContact O-N 2.91Å; Y320-L323 PolarHBondContact O-N 2.04Å; Y320-L323 VanDerWaalsContact O-N 3.13Å; Y320-W324 HydrophobicContact CE2-CB 4.4Å; Y320-W324 WeakPolarHBondContact O-CB 3.45Å; Y320-W324 PolarHBondContact O-N 3.44Å; Y320-H331 PolarHBondContact OH-ND1 2.91Å; Y320-R332 PolarHBondContact OH-N 3.15Å; Y320-Y334 AromaticContact CD1-CD1 3.9Å; Y320-Y334 HydrophobicContact CD1-CD1 3.9Å; Y320-Y334 HydrophobicContact CD1-CE1 4.32Å; Y320-Y334 HydrophobicContact CD1-CG 4.43Å; Y320-Y334 AromaticContact CD2-CD1 3.68Å; Y320-Y334 HydrophobicContact CD2-CD1 3.68Å; Y320-Y334 HydrophobicContact CD2-CG 4.15Å; Y320-Y334 AromaticContact CE1-CD1 3.76Å; Y320-Y334 HydrophobicContact CE1-CD1 3.76Å; Y320-Y334 AromaticContact CE1-CE1 3.88Å; Y320-Y334 HydrophobicContact CE1-CE1 3.88Å; Y320-Y334 AromaticContact CE2-CD1 3.53Å; Y320-Y334 HydrophobicContact CE2-CD1 3.53Å; Y320-Y334 HydrophobicContact CE2-CE1 4.27Å; Y320-Y334 HydrophobicContact CE2-CG 4.43Å; Y320-Y334 AromaticContact CG-CD1 3.86Å; Y320-Y334 HydrophobicContact CG-CD1 3.86Å; Y320-Y334 HydrophobicContact CG-CG 4.16Å; Y320-Y334 AromaticContact CZ-CD1 3.58Å; Y320-Y334 AromaticContact CZ-CE1 3.85Å
321	L	93.3	Very high	89	Confident	27 Å²	27	62.4 Å²	62.4	14%	0.141	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-27.3	-178.6	-71.4	176.7	0	0	0	112.8	K317 S318 I319 W324 K325	K317-L321 HydrophobicContact CB-CB 3.89Å; K317-L321 HydrophobicContact CB-CD1 4.16Å; K317-L321 HydrophobicContact CD-CD1 4.07Å; K317-L321 HydrophobicContact CG-CD1 4.41Å; S318-L321 PolarHBondContact O-N 2.87Å; S318-L321 WeakPolarHBondContact OG-CB 3.47Å; S318-L321 WeakPolarHBondContact OG-CG 3.35Å; S318-L321 PolarHBondContact OG-N 3.48Å; I319-L321 PolarHBondContact O-N 2.9Å; L321-W324 HydrophobicContact CD2-CE3 4.03Å; L321-W324 HydrophobicContact CD2-CZ3 4.42Å; L321-K325 VanDerWaalsContact O-CB 3.24Å; L321-K325 WeakPolarHBondContact O-CB 3.06Å; L321-K325 PolarHBondContact O-N 3.46Å
322	R	90.1	Very high	89.8	Confident	71 Å²	71	60.1 Å²	60.1	27%	0.268	28%	0.284	S	S	.	.	H	α-helix	trans	-73.6	-40	171.7	-70.6	169.1	-171.8	-96.1	4.2	112.2	K317 S318 I319 Y320 K325 R326	K317-R322 PolarHBondContact O-NE 3.39Å; S318-R322 VanDerWaalsContact O-CG 3.25Å; S318-R322 WeakPolarHBondContact O-CG 3.11Å; S318-R322 PolarHBondContact O-N 3.31Å; S318-R322 VanDerWaalsContact O-N 3.07Å; I319-R322 PolarHBondContact O-N 2.98Å; Y320-R322 VanDerWaalsContact C-N 3.26Å; Y320-R322 PolarHBondContact O-N 2.91Å; R322-K325 PolarHBondContact O-N 2.71Å; R322-R326 WeakPolarHBondContact O-CB 3.04Å; R322-R326 PolarHBondContact O-N 2.85Å
323	L	88.3	Confident	90.6	Very high	18 Å²	18	58.5 Å²	58.5	9%	0.094	28%	0.275	C	S	.	.	H	α-helix	trans	-66.7	-41.7	177.5	-177.8	57.3	0	0	0	111.4	R255 I257 I319 Y320 R326 N327 N330	R255-L323 HydrophobicContact CG-CD1 4.07Å; R255-L323 WeakPolarHBondContact O-CD2 3.26Å; I257-L323 HydrophobicContact CB-CD2 3.98Å; I257-L323 HydrophobicContact CG2-CD2 4.26Å; I319-L323 WeakPolarHBondContact O-CB 3.49Å; I319-L323 PolarHBondContact O-N 3.18Å; Y320-L323 PolarHBondContact O-N 2.04Å; Y320-L323 VanDerWaalsContact O-N 3.13Å; L323-R326 PolarHBondContact O-N 3.18Å; L323-N327 PolarHBondContact O-N 3.18Å; L323-N330 HydrophobicContact CG-CB 4.27Å; L323-N330 PolarHBondContact O-ND2 2.95Å; L323-N330 VanDerWaalsContact O-ND2 3.07Å
324	W	94.4	Very high	91.8	Very high	91 Å²	91	55.3 Å²	55.3	35%	0.345	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-47.7	168.5	173.2	64.7	0	0	0	111.7	Y320 L321 R326 N327 H328 H331	Y320-W324 HydrophobicContact CE2-CB 4.4Å; Y320-W324 WeakPolarHBondContact O-CB 3.45Å; Y320-W324 PolarHBondContact O-N 3.44Å; L321-W324 HydrophobicContact CD2-CE3 4.03Å; L321-W324 HydrophobicContact CD2-CZ3 4.42Å; W324-R326 VanDerWaalsContact C-N 3.26Å; W324-R326 PolarHBondContact O-N 2.88Å; W324-N327 CarbonylContact O-C 3.52Å; W324-N327 PolarHBondContact O-N 2.71Å; W324-H328 AromaticContact CE2-CD2 3.78Å; W324-H328 AromaticContact NE1-CD2 3.71Å; W324-H328 WeakPolarHBondContact O-CA 3.28Å; W324-H328 PolarHBondContact O-CD2 3.32Å; W324-H328 PolarHBondContact O-N 3.13Å; W324-H328 VanDerWaalsContact O-N 3.12Å; W324-H331 AromaticContact NE1-ND1 3.75Å
325	K	92.9	Very high	92.9	Very high	168 Å²	168	54.3 Å²	54.3	73%	0.73	23%	0.234	S	C	*	.	H	α-helix	trans	-62	-30.2	176.9	-176.4	176.2	178.4	-176.8	0	113.4	L321 R322	L321-K325 VanDerWaalsContact O-CB 3.24Å; L321-K325 WeakPolarHBondContact O-CB 3.06Å; L321-K325 PolarHBondContact O-N 3.46Å; R322-K325 PolarHBondContact O-N 2.71Å
326	R	90.1	Very high	93.8	Very high	161 Å²	161	45 Å²	45	61%	0.608	19%	0.194	S	C	*	.	H	α-helix	trans	-74.6	-37.3	175.5	-177.4	174.4	175.4	130	-13.6	111.9	R322 L323 W324 D550	R322-R326 WeakPolarHBondContact O-CB 3.04Å; R322-R326 PolarHBondContact O-N 2.85Å; L323-R326 PolarHBondContact O-N 3.18Å; W324-R326 VanDerWaalsContact C-N 3.26Å; W324-R326 PolarHBondContact O-N 2.88Å; R326-D550 IonicContact CZ-OD1 3.94Å; R326-D550 VanDerWaalsContact CZ-OD1 3.25Å; R326-D550 VanDerWaalsContact NH1-CG 3.33Å; R326-D550 IonicContact NH1-OD1 3.39Å; R326-D550 PolarHBondContact NH1-OD1 3.4Å; R326-D550 IonicContact NH1-OD2 3.26Å; R326-D550 PolarHBondContact NH1-OD2 3.16Å; R326-D550 IonicContact NH2-OD1 3.74Å; R326-D550 PolarHBondContact NH2-OD1 3.01Å
327	N	92.8	Very high	94.6	Very high	26 Å²	26	43.2 Å²	43.2	14%	0.139	19%	0.185	C	C	.	.			trans	-148.7	111.3	173.7	176	-0.7	0	0	0	109.2	S252 L323 W324 C329 N330	S252-N327 VanDerWaalsContact CB-ND2 3.3Å; S252-N327 WeakPolarHBondContact CB-ND2 3.31Å; S252-N327 PolarHBondContact O-ND2 3.48Å; S252-N327 VanDerWaalsContact O-ND2 3.09Å; S252-N327 PolarHBondContact OG-ND2 3.33Å; L323-N327 PolarHBondContact O-N 3.18Å; W324-N327 CarbonylContact O-C 3.52Å; W324-N327 PolarHBondContact O-N 2.71Å; N327-C329 PolarHBondContact O-N 3.18Å; N327-C329 VanDerWaalsContact OD1-CB 3.26Å; N327-C329 WeakPolarHBondContact OD1-CB 3.02Å; N327-C329 PolarHBondContact OD1-N 3.34Å; N327-C329 PolarHBondContact OD1-SG 3.38Å; N327-N330 WeakPolarHBondContact O-CB 2.96Å; N327-N330 PolarHBondContact O-N 3.01Å; N327-N330 VanDerWaalsContact O-N 3.08Å; N327-N330 PolarHBondContact O-ND2 3.46Å
328	H	97.7	Very high	95.1	Very high	112 Å²	112	39.8 Å²	39.8	52%	0.519	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-65.3	-19.8	-174.5	-67.1	149.3	0	0	0	113.6	W324 N330 H331	W324-H328 AromaticContact CE2-CD2 3.78Å; W324-H328 AromaticContact NE1-CD2 3.71Å; W324-H328 WeakPolarHBondContact O-CA 3.28Å; W324-H328 PolarHBondContact O-CD2 3.32Å; W324-H328 PolarHBondContact O-N 3.13Å; W324-H328 VanDerWaalsContact O-N 3.12Å; H328-N330 PolarHBondContact O-N 3.18Å; H328-N330 VanDerWaalsContact O-N 3.11Å; H328-H331 WeakPolarHBondContact O-CB 3.02Å; H328-H331 PolarHBondContact O-N 2.77Å
329	C	98.3	Very high	95.4	Very high	12 Å²	12	41.7 Å²	41.7	8%	0.081	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62.2	-15	173.4	-49.7	0	0	0	0	112.8	C249 P254 N327 H331	C249-C329 WeakPolarHBondContact CA-SG 3.36Å; C249-C329 HydrophobicContact CB-CB 3.78Å; C249-C329 WeakPolarHBondContact CB-SG 2.97Å; C249-C329 WeakPolarHBondContact SG-CB 3.37Å; C249-C329 CovalentContact SG-SG 2.02Å; C249-C329 PolarHBondContact SG-SG 2.93Å; P254-C329 HydrophobicContact CB-CB 4.39Å; P254-C329 HydrophobicContact CG-CB 3.98Å; N327-C329 PolarHBondContact O-N 3.18Å; N327-C329 VanDerWaalsContact OD1-CB 3.26Å; N327-C329 WeakPolarHBondContact OD1-CB 3.02Å; N327-C329 PolarHBondContact OD1-N 3.34Å; N327-C329 PolarHBondContact OD1-SG 3.38Å; C329-H331 PolarHBondContact O-N 2.88Å
330	N	97.4	Very high	95.4	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.027	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-81.5	13.5	172.3	-56.2	-37.1	0	0	0	113.2	P254 R255 L323 N327 H328 R332 D333	P254-N330 WeakPolarHBondContact CA-OD1 3.4Å; P254-N330 WeakPolarHBondContact CB-OD1 3.39Å; R255-N330 PolarHBondContact N-OD1 3.1Å; R255-N330 PolarHBondContact O-OD1 3.37Å; L323-N330 HydrophobicContact CG-CB 4.27Å; L323-N330 PolarHBondContact O-ND2 2.95Å; L323-N330 VanDerWaalsContact O-ND2 3.07Å; N327-N330 WeakPolarHBondContact O-CB 2.96Å; N327-N330 PolarHBondContact O-N 3.01Å; N327-N330 VanDerWaalsContact O-N 3.08Å; N327-N330 PolarHBondContact O-ND2 3.46Å; H328-N330 PolarHBondContact O-N 3.18Å; H328-N330 VanDerWaalsContact O-N 3.11Å; N330-R332 PolarHBondContact O-N 3.1Å; N330-D333 PolarHBondContact O-N 3.15Å
331	H	98.8	Very high	95.2	Very high	56 Å²	56	42 Å²	42	26%	0.259	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	135.9	178.7	-175	62.6	0	0	0	110.4	N231 Y320 W324 H328 C329 D333	N231-H331 HydrophobicContact CB-CB 4.2Å; N231-H331 WeakPolarHBondContact O-CB 3.42Å; N231-H331 PolarHBondContact O-CD2 3.43Å; N231-H331 VanDerWaalsContact O-CD2 3.28Å; Y320-H331 PolarHBondContact OH-ND1 2.91Å; W324-H331 AromaticContact NE1-ND1 3.75Å; H328-H331 WeakPolarHBondContact O-CB 3.02Å; H328-H331 PolarHBondContact O-N 2.77Å; C329-H331 PolarHBondContact O-N 2.88Å; H331-D333 PolarHBondContact O-N 3.5Å
332	R	98.7	Very high	95.4	Very high	58 Å²	58	40.8 Å²	40.8	22%	0.219	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-8	-173.4	-47.6	-164.8	-168.8	167.6	12.2	117.4	G203 R204 P215 C230 Y320 N330 Y334	G203-R332 WeakPolarHBondContact CA-O 3.43Å; G203-R332 PolarHBondContact N-O 3.02Å; R204-R332 WeakPolarHBondContact O-CD 3.38Å; R204-R332 PolarHBondContact O-NH1 3.46Å; P215-R332 HydrophobicContact CB-CB 4.18Å; P215-R332 HydrophobicContact CG-CB 4.15Å; C230-R332 VanDerWaalsContact O-CD 3.26Å; C230-R332 WeakPolarHBondContact O-CD 3.08Å; C230-R332 WeakPolarHBondContact O-CG 3.31Å; C230-R332 PolarHBondContact O-NE 2.84Å; Y320-R332 PolarHBondContact OH-N 3.15Å; N330-R332 PolarHBondContact O-N 3.1Å; R332-Y334 VanDerWaalsContact O-CD1 3.29Å; R332-Y334 WeakPolarHBondContact O-CD1 3.35Å; R332-Y334 PolarHBondContact O-N 2.99Å
333	D	98.6	Very high	95.8	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.027	16%	0.161	C	C	.	.			trans	-75.9	67.5	-178.2	-163.7	0.1	0	0	0	113	G216 G256 I257 N330 H331 R356	G216-D333 WeakPolarHBondContact CA-OD2 3.36Å; G256-D333 WeakPolarHBondContact CA-O 3.42Å; G256-D333 WeakPolarHBondContact CA-OD1 3.21Å; G256-D333 WeakPolarHBondContact CA-OD2 3.39Å; G256-D333 PolarHBondContact N-OD2 2.85Å; G256-D333 VanDerWaalsContact N-OD2 3.07Å; I257-D333 PolarHBondContact N-O 2.92Å; N330-D333 PolarHBondContact O-N 3.15Å; H331-D333 PolarHBondContact O-N 3.5Å; D333-R356 IonicContact OD1-CZ 3.99Å; D333-R356 IonicContact OD1-NH1 2.92Å; D333-R356 PolarHBondContact OD1-NH1 2.78Å; D333-R356 IonicContact OD1-NH2 2.85Å; D333-R356 IonicContact OD2-CZ 3.6Å; D333-R356 IonicContact OD2-NH1 3Å; D333-R356 PolarHBondContact OD2-NH1 3.06Å; D333-R356 IonicContact OD2-NH2 3.25Å; D333-R356 PolarHBondContact OD2-NH2 3.31Å
334	Y	98.7	Very high	96.3	Very high	7 Å²	7	36.8 Å²	36.8	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.5	173.2	64.7	-88.9	0	0	0	111.8	Y199 R202 G203 I257 T305 F307 Y320 R332	Y199-Y334 PolarHBondContact O-OH 3.21Å; R202-Y334 VanDerWaalsContact C-CZ 3.43Å; R202-Y334 CarbonylContact C-O 3.55Å; R202-Y334 VanDerWaalsContact CA-O 3.23Å; R202-Y334 WeakPolarHBondContact CA-O 3.31Å; R202-Y334 WeakPolarHBondContact O-CE2 3.39Å; R202-Y334 VanDerWaalsContact O-CZ 3.26Å; R202-Y334 PolarHBondContact O-OH 3.44Å; R202-Y334 VanDerWaalsContact O-OH 3.1Å; G203-Y334 PolarHBondContact N-O 2.62Å; I257-Y334 CarbonylContact O-C 3.58Å; I257-Y334 VanDerWaalsContact O-CA 3.3Å; I257-Y334 WeakPolarHBondContact O-CA 3.49Å; T305-Y334 HydrophobicContact CG2-CD2 4.43Å; F307-Y334 HydrophobicContact CD1-CE1 4.2Å; F307-Y334 AromaticContact CD1-CE2 3.84Å; F307-Y334 HydrophobicContact CD1-CE2 3.84Å; F307-Y334 AromaticContact CD1-CZ 3.48Å; F307-Y334 VanDerWaalsContact CD1-CZ 3.48Å; F307-Y334 WeakPolarHBondContact CD1-OH 3.3Å; F307-Y334 AromaticContact CE1-CE2 3.97Å; F307-Y334 HydrophobicContact CE1-CE2 3.97Å; F307-Y334 AromaticContact CE1-CZ 3.74Å; F307-Y334 WeakPolarHBondContact CE1-OH 3.43Å; Y320-Y334 AromaticContact CD1-CD1 3.9Å; Y320-Y334 HydrophobicContact CD1-CD1 3.9Å; Y320-Y334 HydrophobicContact CD1-CE1 4.32Å; Y320-Y334 HydrophobicContact CD1-CG 4.43Å; Y320-Y334 AromaticContact CD2-CD1 3.68Å; Y320-Y334 HydrophobicContact CD2-CD1 3.68Å; Y320-Y334 HydrophobicContact CD2-CG 4.15Å; Y320-Y334 AromaticContact CE1-CD1 3.76Å; Y320-Y334 HydrophobicContact CE1-CD1 3.76Å; Y320-Y334 AromaticContact CE1-CE1 3.88Å; Y320-Y334 HydrophobicContact CE1-CE1 3.88Å; Y320-Y334 AromaticContact CE2-CD1 3.53Å; Y320-Y334 HydrophobicContact CE2-CD1 3.53Å; Y320-Y334 HydrophobicContact CE2-CE1 4.27Å; Y320-Y334 HydrophobicContact CE2-CG 4.43Å; Y320-Y334 AromaticContact CG-CD1 3.86Å; Y320-Y334 HydrophobicContact CG-CD1 3.86Å; Y320-Y334 HydrophobicContact CG-CG 4.16Å; Y320-Y334 AromaticContact CZ-CD1 3.58Å; Y320-Y334 AromaticContact CZ-CE1 3.85Å; R332-Y334 VanDerWaalsContact O-CD1 3.29Å; R332-Y334 WeakPolarHBondContact O-CD1 3.35Å; R332-Y334 PolarHBondContact O-N 2.99Å
335	Q	98.8	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	122.8	172.7	-64.5	173.4	49.1	0	0	110.8	Y190 W201 R202 I257 I258 L259 I337 S355	Y190-Q335 HydrophobicContact CE1-CG 4.21Å; Y190-Q335 PolarHBondContact OH-NE2 3.03Å; W201-Q335 CarbonylContact O-C 3.46Å; R202-Q335 HydrophobicContact CB-CG 4.42Å; R202-Q335 HydrophobicContact CG-CB 4.41Å; R202-Q335 HydrophobicContact CG-CG 4.21Å; I257-Q335 PolarHBondContact O-N 3.26Å; I258-Q335 CarbonylContact C-O 3.56Å; I258-Q335 WeakPolarHBondContact CA-O 3.18Å; I258-Q335 HydrophobicContact CG1-CB 4.22Å; I258-Q335 HydrophobicContact CG2-CB 4.28Å; L259-Q335 PolarHBondContact N-O 3.26Å; Q335-I337 HydrophobicContact CB-CD1 4.13Å; Q335-I337 HydrophobicContact CB-CG1 4.19Å; Q335-S355 PolarHBondContact NE2-O 3.17Å; Q335-S355 PolarHBondContact OE1-O 2.95Å
336	N	98.6	Very high	96.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	83.8	174.7	-159.7	-44.8	0	0	0	109.1	W201 G265 P299 S302 T305 S338	W201-N336 HydrophobicContact CE3-CB 4.48Å; W201-N336 WeakPolarHBondContact O-CB 3.29Å; W201-N336 PolarHBondContact O-N 2.98Å; G265-N336 PolarHBondContact O-ND2 3.16Å; P299-N336 HydrophobicContact CB-CB 3.98Å; S302-N336 PolarHBondContact OG-ND2 3.12Å; T305-N336 HydrophobicContact CG2-CB 3.88Å; T305-N336 WeakPolarHBondContact OG1-CB 3.43Å; T305-N336 PolarHBondContact OG1-ND2 3.18Å; N336-S338 PolarHBondContact O-N 2.82Å; N336-S338 WeakPolarHBondContact OD1-CB 3.45Å; N336-S338 PolarHBondContact OD1-OG 3.06Å
337	I	98.4	Very high	96.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	62.8	177.1	-47.1	-59	0	0	0	108.2	I258 L259 L260 G261 Q335 F350 S353 L354	I258-I337 HydrophobicContact CG2-CG1 4.06Å; L259-I337 CarbonylContact O-C 3.51Å; L259-I337 VanDerWaalsContact O-C 3.28Å; L259-I337 VanDerWaalsContact O-CA 3.27Å; L259-I337 WeakPolarHBondContact O-CA 3.49Å; L259-I337 WeakPolarHBondContact O-CB 3.41Å; L259-I337 PolarHBondContact O-N 3.26Å; L260-I337 WeakPolarHBondContact CA-O 3.36Å; L260-I337 HydrophobicContact CD2-CB 3.93Å; L260-I337 HydrophobicContact CD2-CG2 4.04Å; G261-I337 PolarHBondContact N-O 3.32Å; Q335-I337 HydrophobicContact CB-CD1 4.13Å; Q335-I337 HydrophobicContact CB-CG1 4.19Å; I337-F350 HydrophobicContact CG2-CD2 4.01Å; I337-F350 HydrophobicContact CG2-CE2 4.17Å; I337-S353 WeakPolarHBondContact CG2-OG 3.38Å; I337-L354 HydrophobicContact CG1-CB 4.45Å
338	S	97.3	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.5	179.9	-54.3	0	0	0	0	112.6	R197 G261 N336	R197-S338 PolarHBondContact NH1-O 2.95Å; R197-S338 PolarHBondContact NH2-O 3.23Å; G261-S338 WeakPolarHBondContact CA-OG 3.46Å; G261-S338 PolarHBondContact N-OG 2.85Å; G261-S338 WeakPolarHBondContact O-CA 3.17Å; G261-S338 WeakPolarHBondContact O-CB 3.44Å; N336-S338 PolarHBondContact O-N 2.82Å; N336-S338 WeakPolarHBondContact OD1-CB 3.45Å; N336-S338 PolarHBondContact OD1-OG 3.06Å
339	R	95.1	Very high	96.7	Very high	47 Å²	47	25.9 Å²	25.9	18%	0.177	11%	0.113	C	C	.	.			trans	-138.5	146.7	169.2	-83.7	-152.5	-176.6	155.7	29	112.5	M176 E177 Q178 S179 G261 D262 G341 A342 F350	M176-R339 PolarHBondContact O-NH1 3.17Å; M176-R339 PolarHBondContact O-NH2 3.28Å; M176-R339 VanDerWaalsContact O-NH2 3.1Å; E177-R339 PolarHBondContact O-NH1 3.14Å; E177-R339 VanDerWaalsContact O-NH1 3.09Å; E177-R339 PolarHBondContact O-NH2 3.03Å; Q178-R339 VanDerWaalsContact C-NH2 3.31Å; S179-R339 VanDerWaalsContact OG-CZ 3.27Å; S179-R339 PolarHBondContact OG-NE 2.76Å; S179-R339 PolarHBondContact OG-NH2 2.82Å; G261-R339 PolarHBondContact O-N 3.13Å; G261-R339 VanDerWaalsContact O-N 3.16Å; D262-R339 CarbonylContact C-O 3.55Å; D262-R339 VanDerWaalsContact CA-O 3.28Å; D262-R339 WeakPolarHBondContact CA-O 3.45Å; R339-G341 PolarHBondContact O-N 2.9Å; R339-A342 HydrophobicContact CB-CB 4.11Å; R339-A342 WeakPolarHBondContact O-CB 3.5Å; R339-A342 PolarHBondContact O-N 3.46Å; R339-F350 HydrophobicContact CB-CE1 4.1Å; R339-F350 HydrophobicContact CB-CZ 4.08Å; R339-F350 HydrophobicContact CG-CD1 4.34Å; R339-F350 HydrophobicContact CG-CD2 4.42Å; R339-F350 HydrophobicContact CG-CE1 4.35Å; R339-F350 HydrophobicContact CG-CE2 4.44Å; R339-F350 HydrophobicContact CG-CG 4.37Å; R339-F350 HydrophobicContact CG-CZ 4.4Å
340	N	90.6	Very high	96.6	Very high	13 Å²	13	25.6 Å²	25.6	7%	0.07	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	135	169.6	-56.6	-20.3	0	0	0	109.6	S22 S263 F268 E295 D297 A342	S22-N340 WeakPolarHBondContact O-CB 3.45Å; S22-N340 PolarHBondContact O-ND2 3.19Å; S22-N340 VanDerWaalsContact O-ND2 3.07Å; S263-N340 WeakPolarHBondContact CA-OD1 3.38Å; S263-N340 WeakPolarHBondContact CB-OD1 3.27Å; F268-N340 WeakPolarHBondContact CD2-ND2 2.95Å; E295-N340 PolarHBondContact O-ND2 3.15Å; D297-N340 VanDerWaalsContact CG-ND2 3.3Å; D297-N340 PolarHBondContact OD1-ND2 3.35Å; D297-N340 PolarHBondContact OD1-OD1 3.19Å; D297-N340 VanDerWaalsContact OD1-OD1 3.06Å; D297-N340 PolarHBondContact OD2-ND2 3.21Å; D297-N340 PolarHBondContact OD2-OD1 3.41Å; N340-A342 VanDerWaalsContact C-N 3.26Å; N340-A342 PolarHBondContact O-N 2.87Å
341	G	91.1	Very high	96.5	Very high	3 Å²	3	25.6 Å²	25.6	3%	0.031	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	7.7	-168.9	0	0	0	0	0	115.3	R339 N346	R339-G341 PolarHBondContact O-N 2.9Å; G341-N346 PolarHBondContact O-ND2 2.85Å
342	A	96.7	Very high	96.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	12%	0.123	C	C	.	.			trans	-66.5	135.1	174.6	0	0	0	0	0	112.2	G261 D262 R339 N340 N346 F350 M370 N373	G261-A342 WeakPolarHBondContact O-CB 3.35Å; D262-A342 HydrophobicContact CB-CB 4.23Å; R339-A342 HydrophobicContact CB-CB 4.11Å; R339-A342 WeakPolarHBondContact O-CB 3.5Å; R339-A342 PolarHBondContact O-N 3.46Å; N340-A342 VanDerWaalsContact C-N 3.26Å; N340-A342 PolarHBondContact O-N 2.87Å; A342-N346 VanDerWaalsContact CA-OD1 3.31Å; A342-N346 WeakPolarHBondContact CA-OD1 3.37Å; A342-F350 HydrophobicContact CB-CE1 3.89Å; A342-F350 HydrophobicContact CB-CZ 3.62Å; A342-M370 HydrophobicContact CB-CE 4.3Å; A342-M370 HydrophobicContact CB-SD 3.82Å; A342-N373 VanDerWaalsContact O-CB 3.28Å; A342-N373 WeakPolarHBondContact O-CB 3.49Å; A342-N373 PolarHBondContact O-ND2 3.37Å
343	S	98.2	Very high	96.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	11%	0.113	C	C	.	.			trans	-144.9	168.1	176.7	125.5	0	0	0	0	108.7	R345 N346 L347 D374	S343-R345 PolarHBondContact O-N 2.92Å; S343-R345 WeakPolarHBondContact OG-CG 3.42Å; S343-R345 PolarHBondContact OG-N 3.42Å; S343-R345 VanDerWaalsContact OG-N 3.14Å; S343-R345 PolarHBondContact OG-NE 3.41Å; S343-N346 PolarHBondContact N-OD1 2.87Å; S343-N346 PolarHBondContact O-N 2.86Å; S343-N346 PolarHBondContact O-OD1 3.07Å; S343-N346 VanDerWaalsContact O-OD1 3.07Å; S343-L347 PolarHBondContact O-N 3.44Å; S343-D374 WeakPolarHBondContact CA-OD2 3.36Å; S343-D374 VanDerWaalsContact CB-OD2 3.26Å; S343-D374 WeakPolarHBondContact CB-OD2 3.34Å; S343-D374 PolarHBondContact OG-OD1 3.23Å; S343-D374 PolarHBondContact OG-OD2 3.13Å
344	S	98.4	Very high	96.2	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.021	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.8	-35.9	171.3	76.5	0	0	0	0	113.1	N346 Y368 D374 N395	S344-N346 PolarHBondContact O-N 3.19Å; S344-Y368 WeakPolarHBondContact CA-OH 3.14Å; S344-Y368 VanDerWaalsContact CB-OH 3.23Å; S344-Y368 WeakPolarHBondContact CB-OH 3.29Å; S344-D374 PolarHBondContact N-OD2 2.99Å; S344-D374 PolarHBondContact OG-OD1 3.43Å; S344-N395 WeakPolarHBondContact O-CB 3.49Å; S344-N395 PolarHBondContact OG-ND2 2.6Å
345	R	97.6	Very high	96.2	Very high	89 Å²	89	26.1 Å²	26.1	34%	0.336	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.1	-175.7	-60.6	179	-76.3	-165.5	-7.4	113.8	S343 N373 D374 A385 T387 N395	S343-R345 PolarHBondContact O-N 2.92Å; S343-R345 WeakPolarHBondContact OG-CG 3.42Å; S343-R345 PolarHBondContact OG-N 3.42Å; S343-R345 VanDerWaalsContact OG-N 3.14Å; S343-R345 PolarHBondContact OG-NE 3.41Å; R345-N373 PolarHBondContact NH2-O 2.88Å; R345-D374 IonicContact NE-OD1 3.54Å; R345-A385 PolarHBondContact NH1-O 3.33Å; R345-T387 VanDerWaalsContact CD-OG1 3.3Å; R345-T387 WeakPolarHBondContact CD-OG1 3.43Å; R345-T387 PolarHBondContact NE-OG1 3.05Å; R345-N395 WeakPolarHBondContact CA-ND2 3.36Å; R345-N395 PolarHBondContact N-ND2 3.23Å
346	N	95.9	Very high	96.2	Very high	20 Å²	20	26.7 Å²	26.7	11%	0.107	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-5.3	-168.5	68	17.9	0	0	0	114.3	G341 A342 S343 S344 K348 K349	G341-N346 PolarHBondContact O-ND2 2.85Å; A342-N346 VanDerWaalsContact CA-OD1 3.31Å; A342-N346 WeakPolarHBondContact CA-OD1 3.37Å; S343-N346 PolarHBondContact N-OD1 2.87Å; S343-N346 PolarHBondContact O-N 2.86Å; S343-N346 PolarHBondContact O-OD1 3.07Å; S343-N346 VanDerWaalsContact O-OD1 3.07Å; S344-N346 PolarHBondContact O-N 3.19Å; N346-K348 PolarHBondContact O-N 3.06Å; N346-K348 VanDerWaalsContact O-N 3.16Å; N346-K349 HydrophobicContact CB-CD 4.26Å; N346-K349 VanDerWaalsContact O-CB 3.25Å; N346-K349 WeakPolarHBondContact O-CB 3.42Å; N346-K349 PolarHBondContact O-N 3.07Å
347	L	96.4	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-50.3	-39.7	172.7	177.4	59.1	0	0	0	112.4	L260 S343 K349 F350 I351 Y368 M370 T399	L260-L347 HydrophobicContact CB-CD1 4.43Å; L260-L347 HydrophobicContact CB-CD2 4.48Å; L260-L347 HydrophobicContact CD1-CD2 4.29Å; S343-L347 PolarHBondContact O-N 3.44Å; L347-K349 PolarHBondContact O-N 3.35Å; L347-F350 HydrophobicContact CD1-CD2 4.28Å; L347-F350 HydrophobicContact CD1-CE1 4.23Å; L347-F350 HydrophobicContact CD1-CE2 3.56Å; L347-F350 HydrophobicContact CD1-CZ 3.52Å; L347-F350 PolarHBondContact O-N 2.99Å; L347-I351 HydrophobicContact CD1-CB 4.38Å; L347-I351 HydrophobicContact CG-CB 4.34Å; L347-I351 HydrophobicContact CG-CD1 4.4Å; L347-I351 WeakPolarHBondContact O-CB 3.46Å; L347-I351 PolarHBondContact O-N 3.28Å; L347-Y368 HydrophobicContact CD2-CD2 3.99Å; L347-Y368 HydrophobicContact CD2-CE2 3.57Å; L347-M370 HydrophobicContact CD1-CE 4.36Å; L347-T399 HydrophobicContact CD2-CG2 3.65Å
348	K	94.5	Very high	96.1	Very high	110 Å²	110	33.6 Å²	33.6	48%	0.478	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-55.4	-20.6	174	68.2	-179.6	178.3	-176	0	115.1	N346 F350	N346-K348 PolarHBondContact O-N 3.06Å; N346-K348 VanDerWaalsContact O-N 3.16Å; K348-F350 VanDerWaalsContact C-N 3.3Å
349	K	93.3	Very high	96.1	Very high	110 Å²	110	38.9 Å²	38.9	48%	0.478	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-76.8	-15.1	177.6	-58.7	-173.3	-179.5	-176.9	0	112.6	D28 N346 L347	D28-K349 IonicContact OD1-NZ 2.68Å; D28-K349 PolarHBondContact OD1-NZ 3.33Å; N346-K349 HydrophobicContact CB-CD 4.26Å; N346-K349 VanDerWaalsContact O-CB 3.25Å; N346-K349 WeakPolarHBondContact O-CB 3.42Å; N346-K349 PolarHBondContact O-N 3.07Å; L347-K349 PolarHBondContact O-N 3.35Å
350	F	94.8	Very high	96.2	Very high	6 Å²	6	40 Å²	40	3%	0.026	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	0.8	-178.3	68	-92.1	0	0	0	115.2	I337 R339 A342 L347 K348 E352 S353	I337-F350 HydrophobicContact CG2-CD2 4.01Å; I337-F350 HydrophobicContact CG2-CE2 4.17Å; R339-F350 HydrophobicContact CB-CE1 4.1Å; R339-F350 HydrophobicContact CB-CZ 4.08Å; R339-F350 HydrophobicContact CG-CD1 4.34Å; R339-F350 HydrophobicContact CG-CD2 4.42Å; R339-F350 HydrophobicContact CG-CE1 4.35Å; R339-F350 HydrophobicContact CG-CE2 4.44Å; R339-F350 HydrophobicContact CG-CG 4.37Å; R339-F350 HydrophobicContact CG-CZ 4.4Å; A342-F350 HydrophobicContact CB-CE1 3.89Å; A342-F350 HydrophobicContact CB-CZ 3.62Å; L347-F350 HydrophobicContact CD1-CD2 4.28Å; L347-F350 HydrophobicContact CD1-CE1 4.23Å; L347-F350 HydrophobicContact CD1-CE2 3.56Å; L347-F350 HydrophobicContact CD1-CZ 3.52Å; L347-F350 PolarHBondContact O-N 2.99Å; K348-F350 VanDerWaalsContact C-N 3.3Å; F350-E352 PolarHBondContact O-N 3.33Å; F350-S353 VanDerWaalsContact O-CB 3.25Å; F350-S353 WeakPolarHBondContact O-CB 3.46Å; F350-S353 PolarHBondContact O-N 3.37Å; F350-S353 PolarHBondContact O-OG 2.96Å
351	I	96.4	Very high	96.6	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-59.4	-33.1	177.3	-164.4	170.9	0	0	0	112.7	L347 S353 L354 T399 H402	L347-I351 HydrophobicContact CD1-CB 4.38Å; L347-I351 HydrophobicContact CG-CB 4.34Å; L347-I351 HydrophobicContact CG-CD1 4.4Å; L347-I351 WeakPolarHBondContact O-CB 3.46Å; L347-I351 PolarHBondContact O-N 3.28Å; I351-S353 PolarHBondContact O-N 2.85Å; I351-L354 WeakPolarHBondContact O-CB 3.23Å; I351-L354 PolarHBondContact O-N 3.33Å; I351-T399 HydrophobicContact CD1-CG2 3.85Å; I351-H402 HydrophobicContact CD1-CB 4.49Å; I351-H402 VanDerWaalsContact CD1-CD2 3.44Å; I351-H402 WeakPolarHBondContact CD1-CD2 3.28Å
352	E	95.8	Very high	96.9	Very high	113 Å²	113	40.6 Å²	40.6	53%	0.528	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-59.5	-14	174.2	-56.4	-58.3	149.5	0	0	113.6	K189 F350 L354 H402	K189-E352 PolarHBondContact NZ-O 3.46Å; F350-E352 PolarHBondContact O-N 3.33Å; E352-L354 VanDerWaalsContact C-N 3.27Å; E352-L354 PolarHBondContact O-N 3.46Å; E352-H402 VanDerWaalsContact CD-CE1 3.45Å; E352-H402 IonicContact OE1-CE1 3.73Å; E352-H402 PolarHBondContact OE1-CE1 3.13Å; E352-H402 IonicContact OE1-ND1 3.3Å; E352-H402 PolarHBondContact OE1-ND1 3.19Å; E352-H402 VanDerWaalsContact OE1-ND1 3.12Å; E352-H402 IonicContact OE2-CE1 2.62Å; E352-H402 PolarHBondContact OE2-CE1 3.35Å
353	S	96.3	Very high	97	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.014	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-73	-17.2	172.3	71.9	0	0	0	0	113.4	Q178 S179 K189 R202 I337 F350 I351 S355	Q178-S353 VanDerWaalsContact O-CB 3.3Å; Q178-S353 WeakPolarHBondContact O-CB 3.35Å; S179-S353 WeakPolarHBondContact CB-OG 3.18Å; K189-S353 VanDerWaalsContact CD-O 3.26Å; K189-S353 WeakPolarHBondContact CD-O 3.43Å; R202-S353 PolarHBondContact NH1-O 3Å; R202-S353 PolarHBondContact NH2-O 3.41Å; I337-S353 WeakPolarHBondContact CG2-OG 3.38Å; F350-S353 VanDerWaalsContact O-CB 3.25Å; F350-S353 WeakPolarHBondContact O-CB 3.46Å; F350-S353 PolarHBondContact O-N 3.37Å; F350-S353 PolarHBondContact O-OG 2.96Å; I351-S353 PolarHBondContact O-N 2.85Å; S353-S355 PolarHBondContact O-N 2.92Å
354	L	98.1	Very high	97	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	20%	0.2	C	C	.	.			trans	-54.7	135.8	172.9	-177.2	151.1	0	0	0	110.2	K189 I258 L260 I337 I351 E352 R356 L403	K189-L354 PolarHBondContact NZ-O 3.02Å; I258-L354 HydrophobicContact CD1-CD1 4.15Å; I258-L354 HydrophobicContact CD1-CG 4.26Å; I258-L354 HydrophobicContact CG2-CD1 3.94Å; I258-L354 HydrophobicContact CG2-CG 4.49Å; L260-L354 HydrophobicContact CD2-CD1 4.24Å; I337-L354 HydrophobicContact CG1-CB 4.45Å; I351-L354 WeakPolarHBondContact O-CB 3.23Å; I351-L354 PolarHBondContact O-N 3.33Å; E352-L354 VanDerWaalsContact C-N 3.27Å; E352-L354 PolarHBondContact O-N 3.46Å; L354-R356 HydrophobicContact CD2-CB 3.72Å; L354-L403 HydrophobicContact CD1-CD2 3.9Å
355	S	98	Very high	96.9	Very high	14 Å²	14	42 Å²	42	10%	0.098	20%	0.202	C	C	.	.			trans	-111.9	97.6	176	-150.2	0	0	0	0	109.5	D188 Q335 S353	D188-S355 PolarHBondContact O-OG 3.22Å; Q335-S355 PolarHBondContact NE2-O 3.17Å; Q335-S355 PolarHBondContact OE1-O 2.95Å; S353-S355 PolarHBondContact O-N 2.92Å
356	R	98.4	Very high	97	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.049	19%	0.186	C	C	.	.			trans	-152.1	121	170.2	-147.9	68.7	168.2	-168	-7	110.8	D333 L354 D361 Y362 P363 P408	D333-R356 IonicContact OD1-CZ 3.99Å; D333-R356 IonicContact OD1-NH1 2.92Å; D333-R356 PolarHBondContact OD1-NH1 2.78Å; D333-R356 IonicContact OD1-NH2 2.85Å; D333-R356 IonicContact OD2-CZ 3.6Å; D333-R356 IonicContact OD2-NH1 3Å; D333-R356 PolarHBondContact OD2-NH1 3.06Å; D333-R356 IonicContact OD2-NH2 3.25Å; D333-R356 PolarHBondContact OD2-NH2 3.31Å; L354-R356 HydrophobicContact CD2-CB 3.72Å; R356-D361 VanDerWaalsContact CA-OD2 3.27Å; R356-D361 WeakPolarHBondContact CA-OD2 3.34Å; R356-D361 WeakPolarHBondContact CD-OD2 3.03Å; R356-D361 HydrophobicContact CG-CB 4.1Å; R356-Y362 VanDerWaalsContact CZ-O 3.26Å; R356-Y362 PolarHBondContact NE-O 3.37Å; R356-Y362 PolarHBondContact NH2-O 2.83Å; R356-P363 PolarHBondContact NH2-O 3.27Å; R356-P408 HydrophobicContact CG-CG 4.29Å
357	N	97.9	Very high	97	Very high	62 Å²	62	36.9 Å²	36.9	33%	0.332	18%	0.182	S	C	.	.			trans	-90	120.9	173.5	-173.3	-58.6	0	0	0	110.3	V359 L360 D361 P408	N357-V359 PolarHBondContact O-N 3.36Å; N357-V359 PolarHBondContact OD1-N 3.21Å; N357-L360 HydrophobicContact CB-CB 4.06Å; N357-L360 PolarHBondContact OD1-N 3.4Å; N357-D361 PolarHBondContact N-OD2 3.4Å; N357-D361 WeakPolarHBondContact O-CB 3.11Å; N357-D361 PolarHBondContact O-N 3.49Å; N357-D361 VanDerWaalsContact O-N 3.13Å; N357-P408 WeakPolarHBondContact O-CG 3.36Å
358	K	96.9	Very high	97.1	Very high	85 Å²	85	37 Å²	37	37%	0.37	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.9	-177.3	-177.8	167.1	178.6	169.7	0	115.3	S405 H406 P408 N495	K358-S405 WeakPolarHBondContact CD-O 3.05Å; K358-H406 VanDerWaalsContact CA-O 3.32Å; K358-H406 WeakPolarHBondContact CA-O 3.45Å; K358-H406 WeakPolarHBondContact CB-O 3.26Å; K358-H406 PolarHBondContact N-O 2.84Å; K358-P408 WeakPolarHBondContact O-CA 3.38Å; K358-N495 WeakPolarHBondContact CE-OD1 3.47Å; K358-N495 PolarHBondContact NZ-ND2 3.48Å
359	V	96.9	Very high	97.2	Very high	112 Å²	112	32.1 Å²	32.1	68%	0.679	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	-44.8	-175.3	-178.6	0	0	0	0	111.3	N357	N357-V359 PolarHBondContact O-N 3.36Å; N357-V359 PolarHBondContact OD1-N 3.21Å
360	L	98	Very high	97.4	Very high	70 Å²	70	27 Å²	27	37%	0.366	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-19.1	-170.8	-57.5	178.6	0	0	0	113.6	R218 N357	R218-L360 WeakPolarHBondContact CB-O 3.08Å; R218-L360 WeakPolarHBondContact CD-O 3.12Å; R218-L360 WeakPolarHBondContact CG-O 3.38Å; R218-L360 PolarHBondContact N-O 2.82Å; N357-L360 HydrophobicContact CB-CB 4.06Å; N357-L360 PolarHBondContact OD1-N 3.4Å
361	D	98.7	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-104.9	163.8	-169.8	-61.1	-1.7	0	0	0	113.5	Y214 R218 R356 N357 P408	Y214-D361 WeakPolarHBondContact CE2-OD1 3.28Å; Y214-D361 PolarHBondContact OH-OD1 2.93Å; R218-D361 PolarHBondContact NE-O 2.86Å; R218-D361 PolarHBondContact NH2-O 2.9Å; R356-D361 VanDerWaalsContact CA-OD2 3.27Å; R356-D361 WeakPolarHBondContact CA-OD2 3.34Å; R356-D361 WeakPolarHBondContact CD-OD2 3.03Å; R356-D361 HydrophobicContact CG-CB 4.1Å; N357-D361 PolarHBondContact N-OD2 3.4Å; N357-D361 WeakPolarHBondContact O-CB 3.11Å; N357-D361 PolarHBondContact O-N 3.49Å; N357-D361 VanDerWaalsContact O-N 3.13Å; D361-P408 HydrophobicContact CB-CG 4.15Å; D361-P408 WeakPolarHBondContact O-CG 3.35Å
362	Y	98.5	Very high	97.4	Very high	29 Å²	29	27.5 Å²	27.5	11%	0.114	14%	0.144	C	C	.	.			trans	-69.9	154.6	166	-75.4	-69.3	0	0	0	111.3	G216 R217 R218 P219 P254 R356	G216-Y362 PolarHBondContact O-N 3.3Å; R217-Y362 VanDerWaalsContact O-CD2 3.29Å; R217-Y362 WeakPolarHBondContact O-CD2 3.4Å; R217-Y362 VanDerWaalsContact O-CE2 3.31Å; R217-Y362 WeakPolarHBondContact O-CE2 3.48Å; R218-Y362 HydrophobicContact CG-CD1 4.32Å; R218-Y362 HydrophobicContact CG-CD2 4.33Å; R218-Y362 HydrophobicContact CG-CE1 4.25Å; R218-Y362 HydrophobicContact CG-CE2 4.29Å; R218-Y362 HydrophobicContact CG-CG 4.35Å; P219-Y362 WeakPolarHBondContact CD-OH 2.93Å; P254-Y362 HydrophobicContact CB-CD1 3.95Å; P254-Y362 HydrophobicContact CB-CD2 4.06Å; P254-Y362 HydrophobicContact CB-CE1 4.04Å; P254-Y362 HydrophobicContact CB-CE2 4.11Å; P254-Y362 HydrophobicContact CB-CG 3.97Å; P254-Y362 HydrophobicContact CG-CD1 4.24Å; P254-Y362 HydrophobicContact CG-CE1 3.82Å; P254-Y362 HydrophobicContact CG-CE2 4.22Å; R356-Y362 VanDerWaalsContact CZ-O 3.26Å; R356-Y362 PolarHBondContact NE-O 3.37Å; R356-Y362 PolarHBondContact NH2-O 2.83Å
363	P	98.4	Very high	97.5	Very high	22 Å²	22	22.5 Å²	22.5	14%	0.143	12%	0.12	C	C	.	.			trans	-55.4	165.9	171	-23.1	34.9	0	0	0	112.8	R255 G256 R356 N409 G410 S411	R255-P363 CarbonylContact C-O 3.57Å; R255-P363 WeakPolarHBondContact CA-O 3.17Å; R255-P363 WeakPolarHBondContact CB-O 3.15Å; G256-P363 PolarHBondContact N-O 3.01Å; R356-P363 PolarHBondContact NH2-O 3.27Å; P363-N409 WeakPolarHBondContact CG-O 3.34Å; P363-G410 WeakPolarHBondContact CB-O 3.28Å; P363-S411 WeakPolarHBondContact CA-OG 3.37Å
364	A	97.1	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.4	177	0	0	0	0	0	112.3	G256 I258 V366 L407 S411 H412	G256-A364 WeakPolarHBondContact O-CA 3.31Å; I258-A364 HydrophobicContact CD1-CB 3.76Å; I258-A364 HydrophobicContact CG1-CB 4.07Å; A364-V366 HydrophobicContact CB-CG2 4.35Å; A364-L407 HydrophobicContact CB-CD2 4.36Å; A364-S411 PolarHBondContact N-OG 3.39Å; A364-S411 WeakPolarHBondContact O-CA 3.02Å; A364-S411 VanDerWaalsContact O-CB 3.28Å; A364-S411 WeakPolarHBondContact O-CB 3.49Å; A364-H412 PolarHBondContact O-N 3.07Å
365	I	97.4	Very high	97.6	Very high	11 Å²	11	22 Å²	22	6%	0.056	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.2	160.6	-58.6	173.3	0	0	0	106.6	G256 I257 I258 H412 I414	G256-I365 PolarHBondContact O-N 2.94Å; I257-I365 HydrophobicContact CD1-CB 4.19Å; I257-I365 HydrophobicContact CD1-CG2 4.1Å; I258-I365 PolarHBondContact N-O 3.01Å; I365-H412 CarbonylContact C-O 3.53Å; I365-H412 WeakPolarHBondContact CA-O 3.39Å; I365-H412 HydrophobicContact CG1-CB 4.5Å; I365-I414 HydrophobicContact CG2-CD1 4.04Å
366	V	98.3	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.8	178.2	-170.7	0	0	0	0	109.4	I258 L260 A364 L403 L407 H412 V413 I414	I258-V366 HydrophobicContact CB-CG1 4.36Å; I258-V366 HydrophobicContact CB-CG2 4.2Å; I258-V366 HydrophobicContact CD1-CG2 4.4Å; I258-V366 HydrophobicContact CG2-CG1 4.36Å; I258-V366 CarbonylContact O-C 3.21Å; I258-V366 VanDerWaalsContact O-CA 3.28Å; I258-V366 WeakPolarHBondContact O-CA 3.47Å; L260-V366 HydrophobicContact CD1-CG1 3.85Å; L260-V366 HydrophobicContact CG-CG1 3.82Å; A364-V366 HydrophobicContact CB-CG2 4.35Å; V366-L403 HydrophobicContact CG1-CD1 4.23Å; V366-L407 HydrophobicContact CG2-CD1 3.72Å; V366-L407 HydrophobicContact CG2-CD2 3.88Å; V366-L407 HydrophobicContact CG2-CG 4.46Å; V366-H412 PolarHBondContact N-O 3.27Å; V366-V413 HydrophobicContact CB-CG2 4.18Å; V366-V413 HydrophobicContact CG2-CG2 4.49Å; V366-V413 CarbonylContact O-C 3.41Å; V366-V413 WeakPolarHBondContact O-CA 3.02Å; V366-I414 PolarHBondContact O-N 3.25Å
367	I	97.3	Very high	97.4	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.5	175.2	-61.1	176	0	0	0	108.5	I257 I258 L259 L260 I319 A369 Y416	I257-I367 HydrophobicContact CD1-CD1 3.87Å; I257-I367 HydrophobicContact CD1-CG1 4.18Å; I258-I367 PolarHBondContact O-N 3.01Å; L259-I367 HydrophobicContact CD1-CB 3.86Å; L259-I367 HydrophobicContact CD1-CG2 3.79Å; L260-I367 PolarHBondContact N-O 2.7Å; I319-I367 HydrophobicContact CD1-CD1 3.44Å; I319-I367 VanDerWaalsContact CD1-CD1 3.44Å; I367-A369 HydrophobicContact CG2-CB 4.16Å; I367-Y416 HydrophobicContact CG2-CD2 3.89Å; I367-Y416 HydrophobicContact CG2-CE1 4.25Å; I367-Y416 HydrophobicContact CG2-CE2 3.63Å; I367-Y416 HydrophobicContact CG2-CG 4.33Å
368	Y	98.3	Very high	97.1	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	109.6	169.6	179.3	-84.4	0	0	0	108.9	S344 L347 M370 V396 T399 I414 L415 Y416 L484	S344-Y368 WeakPolarHBondContact CA-OH 3.14Å; S344-Y368 VanDerWaalsContact CB-OH 3.23Å; S344-Y368 WeakPolarHBondContact CB-OH 3.29Å; L347-Y368 HydrophobicContact CD2-CD2 3.99Å; L347-Y368 HydrophobicContact CD2-CE2 3.57Å; Y368-M370 HydrophobicContact CD1-CG 4.49Å; Y368-M370 HydrophobicContact CE1-CB 3.95Å; Y368-M370 HydrophobicContact CE1-CG 3.78Å; Y368-M370 HydrophobicContact CE2-CG 3.86Å; Y368-M370 VanDerWaalsContact CZ-CG 3.42Å; Y368-M370 WeakPolarHBondContact OH-CG 3Å; Y368-V396 HydrophobicContact CE1-CG2 4.27Å; Y368-T399 HydrophobicContact CD2-CG2 4.18Å; Y368-T399 HydrophobicContact CE2-CG2 4.17Å; Y368-I414 PolarHBondContact N-O 2.72Å; Y368-L415 HydrophobicContact CD1-CD2 4.08Å; Y368-L415 HydrophobicContact CG-CD2 3.95Å; Y368-Y416 WeakPolarHBondContact O-CB 3.41Å; Y368-Y416 PolarHBondContact O-N 2.74Å; Y368-L484 HydrophobicContact CE1-CD2 4.23Å
369	A	96.4	Very high	96.8	Very high	7 Å²	7	19.2 Å²	19.2	6%	0.058	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	64.9	-175	0	0	0	0	0	111.5	L259 L260 D262 I367 I371	L259-A369 HydrophobicContact CD1-CB 4.02Å; L260-A369 PolarHBondContact O-N 3.22Å; D262-A369 PolarHBondContact N-O 3.32Å; I367-A369 HydrophobicContact CG2-CB 4.16Å; A369-I371 HydrophobicContact CB-CG2 4.13Å; A369-I371 PolarHBondContact O-N 3.48Å
370	M	97.6	Very high	96.5	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.101	C	C	.	.			trans	-84.3	79	166.2	-58.8	-64.2	117.8	0	0	108.7	L260 G261 A342 L347 Y368	L260-M370 HydrophobicContact CB-CE 4.46Å; L260-M370 WeakPolarHBondContact O-CE 3.49Å; G261-M370 VanDerWaalsContact C-CE 3.42Å; G261-M370 WeakPolarHBondContact O-CE 3.38Å; A342-M370 HydrophobicContact CB-CE 4.3Å; A342-M370 HydrophobicContact CB-SD 3.82Å; L347-M370 HydrophobicContact CD1-CE 4.36Å; Y368-M370 HydrophobicContact CD1-CG 4.49Å; Y368-M370 HydrophobicContact CE1-CB 3.95Å; Y368-M370 HydrophobicContact CE1-CG 3.78Å; Y368-M370 HydrophobicContact CE2-CG 3.86Å; Y368-M370 VanDerWaalsContact CZ-CG 3.42Å; Y368-M370 WeakPolarHBondContact OH-CG 3Å
371	I	95.5	Very high	96.3	Very high	18 Å²	18	18.9 Å²	18.9	9%	0.092	11%	0.106	C	C	.	.			trans	-102.4	17.1	-161.8	57.9	169.7	0	0	0	114.5	D262 A264 A369 P419 F503	D262-I371 WeakPolarHBondContact OD2-CG1 3.48Å; D262-I371 PolarHBondContact OD2-N 3.07Å; A264-I371 HydrophobicContact CB-CD1 3.7Å; A264-I371 HydrophobicContact CB-CG1 4.19Å; A369-I371 HydrophobicContact CB-CG2 4.13Å; A369-I371 PolarHBondContact O-N 3.48Å; I371-P419 WeakPolarHBondContact O-CD 3.29Å; I371-P419 WeakPolarHBondContact O-CG 3.19Å; I371-F503 HydrophobicContact CB-CE2 4.45Å; I371-F503 HydrophobicContact CD1-CD2 4.48Å; I371-F503 HydrophobicContact CD1-CE2 3.64Å; I371-F503 HydrophobicContact CD1-CZ 4.41Å; I371-F503 HydrophobicContact CG2-CD2 4.19Å; I371-F503 HydrophobicContact CG2-CE2 4.36Å
372	G	96	Very high	96.1	Very high	4 Å²	4	19 Å²	19	4%	0.041	11%	0.107	C	C	.	.	S	Bend	trans	-159.6	-49.4	173.6	0	0	0	0	0	115.4	D262 D374 V375 C376	D262-G372 PolarHBondContact OD2-N 3.35Å; G372-D374 PolarHBondContact O-N 2.92Å; G372-V375 WeakPolarHBondContact O-CG2 3.3Å; G372-V375 PolarHBondContact O-N 2.65Å; G372-C376 WeakPolarHBondContact O-CB 3.38Å; G372-C376 PolarHBondContact O-N 2.95Å
373	N	98	Very high	96	Very high	7 Å²	7	19.5 Å²	19.5	4%	0.037	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-1.2	-166.1	-57.5	-60.3	0	0	0	115.8	A342 R345	A342-N373 VanDerWaalsContact O-CB 3.28Å; A342-N373 WeakPolarHBondContact O-CB 3.49Å; A342-N373 PolarHBondContact O-ND2 3.37Å; R345-N373 PolarHBondContact NH2-O 2.88Å
374	D	98.6	Very high	96	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-17.5	167.8	-77.6	-70.5	0	0	0	113	S343 S344 R345 G372 M386 T387 L480	S343-D374 WeakPolarHBondContact CA-OD2 3.36Å; S343-D374 VanDerWaalsContact CB-OD2 3.26Å; S343-D374 WeakPolarHBondContact CB-OD2 3.34Å; S343-D374 PolarHBondContact OG-OD1 3.23Å; S343-D374 PolarHBondContact OG-OD2 3.13Å; S344-D374 PolarHBondContact N-OD2 2.99Å; S344-D374 PolarHBondContact OG-OD1 3.43Å; R345-D374 IonicContact NE-OD1 3.54Å; G372-D374 PolarHBondContact O-N 2.92Å; D374-M386 CarbonylContact O-C 3.31Å; D374-M386 WeakPolarHBondContact O-CA 3.34Å; D374-T387 PolarHBondContact O-N 3.42Å; D374-T387 WeakPolarHBondContact OD1-CB 3.27Å; D374-T387 PolarHBondContact OD1-OG1 2.86Å; D374-L480 HydrophobicContact CB-CD1 3.83Å
375	V	98.4	Very high	95.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-22.1	170	-58.4	0	0	0	0	113.6	G372 M386 L418 W462 T473 R476 A477 L480	G372-V375 WeakPolarHBondContact O-CG2 3.3Å; G372-V375 PolarHBondContact O-N 2.65Å; V375-M386 HydrophobicContact CB-CG 4.37Å; V375-M386 HydrophobicContact CB-SD 4.21Å; V375-M386 HydrophobicContact CG1-SD 4.48Å; V375-M386 WeakPolarHBondContact O-CG 3.26Å; V375-L418 HydrophobicContact CG1-CD2 4.04Å; V375-L418 HydrophobicContact CG2-CD2 4.31Å; V375-W462 HydrophobicContact CG2-CH2 3.54Å; V375-W462 HydrophobicContact CG2-CZ2 3.87Å; V375-W462 HydrophobicContact CG2-CZ3 3.92Å; V375-T473 HydrophobicContact CB-CG2 4.02Å; V375-T473 HydrophobicContact CG2-CG2 3.93Å; V375-R476 HydrophobicContact CG1-CB 4.1Å; V375-R476 HydrophobicContact CG1-CG 3.68Å; V375-A477 HydrophobicContact CG1-CB 4.3Å; V375-A477 HydrophobicContact CG2-CB 4.46Å; V375-L480 HydrophobicContact CG1-CD1 3.88Å
376	C	97.8	Very high	96	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	15%	0.145	C	C	.	.			trans	-84	137.7	-179.2	-69.9	0	0	0	0	113.1	G372 P458 C459 W462	G372-C376 WeakPolarHBondContact O-CB 3.38Å; G372-C376 PolarHBondContact O-N 2.95Å; C376-P458 WeakPolarHBondContact CB-O 3.47Å; C376-C459 WeakPolarHBondContact CA-SG 3.44Å; C376-C459 HydrophobicContact CB-CB 3.51Å; C376-C459 WeakPolarHBondContact CB-SG 3.18Å; C376-C459 WeakPolarHBondContact SG-CB 3.36Å; C376-C459 CovalentContact SG-SG 2.04Å; C376-C459 PolarHBondContact SG-SG 3.31Å; C376-W462 VanDerWaalsContact SG-CE3 3.57Å
377	S	93.6	Very high	96	Very high	7 Å²	7	24.2 Å²	24.2	5%	0.049	15%	0.146	C	C	.	.			trans	-158.8	151.6	179.3	-169.5	0	0	0	0	110.5	K379 H460	S377-K379 PolarHBondContact OG-N 3.22Å; S377-H460 VanDerWaalsContact O-CB 3.23Å; S377-H460 WeakPolarHBondContact O-CB 3.16Å; S377-H460 PolarHBondContact O-N 2.99Å
378	G	90.6	Very high	96	Very high	9 Å²	9	25.8 Å²	25.8	9%	0.093	16%	0.155	C	C	.	.			trans	-89.5	-0.5	170.9	0	0	0	0	0	114.7	Q455 S457	G378-Q455 CarbonylContact O-C 3.6Å; G378-Q455 WeakPolarHBondContact O-CA 3.16Å; G378-Q455 WeakPolarHBondContact O-CB 3.34Å; G378-S457 WeakPolarHBondContact CA-O 3.36Å; G378-S457 PolarHBondContact N-O 3.17Å
379	K	91	Very high	96.1	Very high	98 Å²	98	27 Å²	27	43%	0.426	16%	0.164	S	C	.	.	S	Bend	trans	-64.4	148.8	-179.5	-67.8	-173.9	-178.2	-173.2	0	111.7	S377 D381 A385 H460	S377-K379 PolarHBondContact OG-N 3.22Å; K379-D381 VanDerWaalsContact C-N 3.32Å; K379-D381 PolarHBondContact O-N 3.15Å; K379-A385 HydrophobicContact CD-CB 4.04Å; K379-H460 PolarHBondContact O-ND1 3.39Å
380	S	90.3	Very high	96.2	Very high	85 Å²	85	32.8 Å²	32.8	59%	0.594	19%	0.19	S	C	*	.	S	Bend	trans	-58.5	-40.6	178.3	51.3	0	0	0	0	113.1	H460	S380-H460 PolarHBondContact O-CE1 2.92Å; S380-H460 PolarHBondContact O-ND1 3.41Å
381	D	94	Very high	96.2	Very high	90 Å²	90	38.9 Å²	38.9	48%	0.481	22%	0.216	S	C	.	.	S	Bend	trans	-109.6	105.1	160.9	-179.8	9.9	0	0	0	109.2	K379 V383 P384	K379-D381 VanDerWaalsContact C-N 3.32Å; K379-D381 PolarHBondContact O-N 3.15Å; D381-V383 PolarHBondContact OD1-N 2.82Å; D381-V383 VanDerWaalsContact OD1-N 3.15Å; D381-P384 WeakPolarHBondContact OD1-CD 3.23Å; D381-P384 WeakPolarHBondContact OD2-CD 3.33Å; D381-P384 VanDerWaalsContact OD2-CG 3.28Å; D381-P384 WeakPolarHBondContact OD2-CG 3.3Å
382	P	94.8	Very high	96.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.013	21%	0.212	C	C	.	.			trans	-85.1	-17.7	-178	34.1	-34.8	0	0	0	113	A385 M386 H460 L469	P382-A385 WeakPolarHBondContact O-CA 3.4Å; P382-A385 WeakPolarHBondContact O-CB 3.45Å; P382-A385 PolarHBondContact O-N 3.28Å; P382-M386 WeakPolarHBondContact O-CG 3.19Å; P382-M386 PolarHBondContact O-N 3.43Å; P382-H460 HydrophobicContact CG-CB 4.34Å; P382-L469 HydrophobicContact CG-CD1 3.94Å; P382-L469 HydrophobicContact CG-CD2 4.19Å
383	V	97.5	Very high	96.5	Very high	40 Å²	40	42.5 Å²	42.5	24%	0.242	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-65.2	-45.3	-170.2	179.7	0	0	0	0	112.9	D381 A385 M386 L469	D381-V383 PolarHBondContact OD1-N 2.82Å; D381-V383 VanDerWaalsContact OD1-N 3.15Å; V383-A385 PolarHBondContact O-N 2.95Å; V383-M386 HydrophobicContact CG2-CE 4.05Å; V383-M386 WeakPolarHBondContact O-CB 3.36Å; V383-M386 PolarHBondContact O-N 3.05Å; V383-L469 HydrophobicContact CG2-CD1 3.63Å
384	P	97.8	Very high	96.6	Very high	103 Å²	103	45.8 Å²	45.8	67%	0.669	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-65.8	-19.4	173.6	-21.4	34	0	0	0	113.7	D381	D381-P384 WeakPolarHBondContact OD1-CD 3.23Å; D381-P384 WeakPolarHBondContact OD2-CD 3.33Å; D381-P384 VanDerWaalsContact OD2-CG 3.28Å; D381-P384 WeakPolarHBondContact OD2-CG 3.3Å
385	A	95.2	Very high	96.6	Very high	20 Å²	20	47 Å²	47	17%	0.165	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-85.6	-10	179.4	0	0	0	0	0	113.5	R345 K379 P382 V383	R345-A385 PolarHBondContact NH1-O 3.33Å; K379-A385 HydrophobicContact CD-CB 4.04Å; P382-A385 WeakPolarHBondContact O-CA 3.4Å; P382-A385 WeakPolarHBondContact O-CB 3.45Å; P382-A385 PolarHBondContact O-N 3.28Å; V383-A385 PolarHBondContact O-N 2.95Å
386	M	98.4	Very high	96.6	Very high	7 Å²	7	47 Å²	47	3%	0.034	26%	0.258	C	S	.	.	S	Bend	trans	-72.1	137.5	176.2	-55.9	-177.6	-177.5	0	0	110.9	D374 V375 P382 V383 T473 R476	D374-M386 CarbonylContact O-C 3.31Å; D374-M386 WeakPolarHBondContact O-CA 3.34Å; V375-M386 HydrophobicContact CB-CG 4.37Å; V375-M386 HydrophobicContact CB-SD 4.21Å; V375-M386 HydrophobicContact CG1-SD 4.48Å; V375-M386 WeakPolarHBondContact O-CG 3.26Å; P382-M386 WeakPolarHBondContact O-CG 3.19Å; P382-M386 PolarHBondContact O-N 3.43Å; V383-M386 HydrophobicContact CG2-CE 4.05Å; V383-M386 WeakPolarHBondContact O-CB 3.36Å; V383-M386 PolarHBondContact O-N 3.05Å; M386-T473 HydrophobicContact CE-CG2 3.86Å; M386-T473 WeakPolarHBondContact CE-OG1 3.37Å; M386-R476 HydrophobicContact CB-CG 4.12Å; M386-R476 PolarHBondContact O-NH1 3.01Å; M386-R476 HydrophobicContact SD-CB 3.92Å; M386-R476 HydrophobicContact SD-CG 4.03Å
387	T	98.7	Very high	96.6	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-56.8	138.2	172.6	-59.5	0	0	0	0	110	R345 D374 K391 L392 R476	R345-T387 VanDerWaalsContact CD-OG1 3.3Å; R345-T387 WeakPolarHBondContact CD-OG1 3.43Å; R345-T387 PolarHBondContact NE-OG1 3.05Å; D374-T387 PolarHBondContact O-N 3.42Å; D374-T387 WeakPolarHBondContact OD1-CB 3.27Å; D374-T387 PolarHBondContact OD1-OG1 2.86Å; T387-K391 HydrophobicContact CG2-CB 3.93Å; T387-L392 HydrophobicContact CG2-CB 3.99Å; T387-L392 HydrophobicContact CG2-CD1 4.29Å; T387-R476 WeakPolarHBondContact O-CD 3.26Å; T387-R476 PolarHBondContact O-NH1 3.39Å
388	T	98.8	Very high	96.9	Very high	36 Å²	36	52.1 Å²	52.1	22%	0.221	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-90.5	157.8	175.4	74.5	0	0	0	0	110.5	E390 K391 L392	T388-E390 WeakPolarHBondContact CB-OE2 3.4Å; T388-E390 PolarHBondContact O-N 2.95Å; T388-E390 PolarHBondContact OG1-OE2 3.03Å; T388-K391 HydrophobicContact CG2-CD 4.45Å; T388-K391 PolarHBondContact O-N 3.07Å; T388-K391 VanDerWaalsContact O-N 3.14Å; T388-K391 WeakPolarHBondContact OG1-CG 3.35Å; T388-K391 PolarHBondContact OG1-N 3.28Å; T388-L392 PolarHBondContact O-N 3.48Å
389	P	98.8	Very high	97.2	Very high	29 Å²	29	52 Å²	52	19%	0.188	28%	0.279	C	S	.	.	H	α-helix	trans	-51	-40.1	178.1	-30.7	38.9	0	0	0	113.9	L392 Y393 Q479 L480	P389-L392 PolarHBondContact O-N 2.78Å; P389-Y393 WeakPolarHBondContact O-CB 3.47Å; P389-Y393 PolarHBondContact O-N 2.95Å; P389-Q479 HydrophobicContact CG-CB 4.19Å; P389-L480 HydrophobicContact CG-CD2 4.36Å
390	E	98.6	Very high	97.6	Very high	128 Å²	128	47.5 Å²	47.5	60%	0.598	26%	0.259	S	S	*	.	H	α-helix	trans	-70.5	-40.5	-177.9	-46.1	68	-141	0	0	111.1	T388 Y393 S394	T388-E390 WeakPolarHBondContact CB-OE2 3.4Å; T388-E390 PolarHBondContact O-N 2.95Å; T388-E390 PolarHBondContact OG1-OE2 3.03Å; E390-Y393 PolarHBondContact O-N 3.2Å; E390-S394 PolarHBondContact O-N 2.68Å
391	K	98.6	Very high	98	Very high	130 Å²	130	50 Å²	50	57%	0.565	26%	0.259	S	S	*	.	H	α-helix	trans	-66.6	-42.4	174.7	-70.7	177.2	-178.2	177	0	110.9	T387 T388 S394 N395	T387-K391 HydrophobicContact CG2-CB 3.93Å; T388-K391 HydrophobicContact CG2-CD 4.45Å; T388-K391 PolarHBondContact O-N 3.07Å; T388-K391 VanDerWaalsContact O-N 3.14Å; T388-K391 WeakPolarHBondContact OG1-CG 3.35Å; T388-K391 PolarHBondContact OG1-N 3.28Å; K391-S394 PolarHBondContact O-N 2.62Å; K391-N395 WeakPolarHBondContact O-CB 3.42Å; K391-N395 PolarHBondContact O-N 2.84Å; K391-N395 PolarHBondContact O-ND2 3.11Å; K391-N395 PolarHBondContact O-OD1 3.19Å
392	L	98.8	Very high	98.2	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-48.4	174.9	-169.6	86.7	0	0	0	110.8	T387 T388 P389 S394 N395 V396 L480 T483 L484	T387-L392 HydrophobicContact CG2-CB 3.99Å; T387-L392 HydrophobicContact CG2-CD1 4.29Å; T388-L392 PolarHBondContact O-N 3.48Å; P389-L392 PolarHBondContact O-N 2.78Å; L392-S394 PolarHBondContact O-N 2.74Å; L392-N395 PolarHBondContact O-N 3.36Å; L392-V396 HydrophobicContact CG-CG2 4.14Å; L392-V396 WeakPolarHBondContact O-CB 3.42Å; L392-V396 VanDerWaalsContact O-CG2 3.24Å; L392-V396 WeakPolarHBondContact O-CG2 3.06Å; L392-V396 PolarHBondContact O-N 2.8Å; L392-L480 HydrophobicContact CB-CD2 3.96Å; L392-L480 HydrophobicContact CD1-CD1 4.46Å; L392-L480 HydrophobicContact CD2-CB 3.85Å; L392-L480 HydrophobicContact CD2-CD2 4.04Å; L392-L480 HydrophobicContact CD2-CG 4.43Å; L392-L480 WeakPolarHBondContact CD2-O 3.15Å; L392-L480 HydrophobicContact CG-CD2 4.4Å; L392-T483 HydrophobicContact CD2-CG2 4.09Å; L392-L484 HydrophobicContact CD2-CD2 3.96Å; L392-L484 HydrophobicContact CD2-CG 3.89Å
393	Y	98.8	Very high	98.4	Very high	96 Å²	96	47 Å²	47	38%	0.376	24%	0.242	S	C	.	.	H	α-helix	trans	-55.2	-50.6	177.3	179.4	-88.8	0	0	0	111.4	P389 E390 N395 V396 M397 I487 E491	P389-Y393 WeakPolarHBondContact O-CB 3.47Å; P389-Y393 PolarHBondContact O-N 2.95Å; E390-Y393 PolarHBondContact O-N 3.2Å; Y393-N395 PolarHBondContact O-N 3.28Å; Y393-V396 PolarHBondContact O-N 3.18Å; Y393-M397 HydrophobicContact CD1-CG 4.14Å; Y393-M397 HydrophobicContact CD2-CG 4.39Å; Y393-M397 HydrophobicContact CE1-CG 3.77Å; Y393-M397 HydrophobicContact CE2-CG 4.03Å; Y393-M397 HydrophobicContact CG-CG 4.42Å; Y393-M397 WeakPolarHBondContact O-CB 3.28Å; Y393-M397 VanDerWaalsContact O-CG 3.26Å; Y393-M397 WeakPolarHBondContact O-CG 3.17Å; Y393-M397 PolarHBondContact O-N 2.99Å; Y393-I487 HydrophobicContact CD2-CD1 3.72Å; Y393-I487 HydrophobicContact CD2-CG1 3.51Å; Y393-I487 HydrophobicContact CE2-CD1 4.37Å; Y393-I487 HydrophobicContact CE2-CG1 3.76Å; Y393-I487 HydrophobicContact CG-CD1 4.43Å; Y393-E491 PolarHBondContact OH-OE1 2.74Å
394	S	98.7	Very high	98.4	Very high	75 Å²	75	46.7 Å²	46.7	52%	0.524	24%	0.239	S	C	.	.	H	α-helix	trans	-58.2	-48.2	178	-171.2	0	0	0	0	112.6	E390 K391 L392 M397 Q398	E390-S394 PolarHBondContact O-N 2.68Å; K391-S394 PolarHBondContact O-N 2.62Å; L392-S394 PolarHBondContact O-N 2.74Å; S394-M397 PolarHBondContact O-N 2.6Å; S394-Q398 PolarHBondContact O-N 3.48Å
395	N	98.8	Very high	98.4	Very high	26 Å²	26	45 Å²	45	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-43.7	179.7	-68.8	-15.5	0	0	0	112.8	S344 R345 K391 L392 Y393 Q398 T399	S344-N395 WeakPolarHBondContact O-CB 3.49Å; S344-N395 PolarHBondContact OG-ND2 2.6Å; R345-N395 WeakPolarHBondContact CA-ND2 3.36Å; R345-N395 PolarHBondContact N-ND2 3.23Å; K391-N395 WeakPolarHBondContact O-CB 3.42Å; K391-N395 PolarHBondContact O-N 2.84Å; K391-N395 PolarHBondContact O-ND2 3.11Å; K391-N395 PolarHBondContact O-OD1 3.19Å; L392-N395 PolarHBondContact O-N 3.36Å; Y393-N395 PolarHBondContact O-N 3.28Å; N395-Q398 PolarHBondContact O-N 3.18Å; N395-T399 PolarHBondContact O-N 2.99Å; N395-T399 PolarHBondContact O-OG1 2.98Å
396	V	98.8	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.5	-39.4	179.4	173.6	0	0	0	0	110.4	Y368 L392 Y393 Q398 T399 L400 L415 L484 I487	Y368-V396 HydrophobicContact CE1-CG2 4.27Å; L392-V396 HydrophobicContact CG-CG2 4.14Å; L392-V396 WeakPolarHBondContact O-CB 3.42Å; L392-V396 VanDerWaalsContact O-CG2 3.24Å; L392-V396 WeakPolarHBondContact O-CG2 3.06Å; L392-V396 PolarHBondContact O-N 2.8Å; Y393-V396 PolarHBondContact O-N 3.18Å; V396-Q398 VanDerWaalsContact C-N 3.34Å; V396-Q398 PolarHBondContact O-N 3.27Å; V396-T399 WeakPolarHBondContact O-CA 3.31Å; V396-T399 VanDerWaalsContact O-CB 3.32Å; V396-T399 WeakPolarHBondContact O-CB 3.29Å; V396-T399 PolarHBondContact O-N 3.41Å; V396-T399 VanDerWaalsContact O-N 3.13Å; V396-L400 HydrophobicContact CG1-CD1 3.81Å; V396-L400 HydrophobicContact CG1-CG 4.17Å; V396-L400 WeakPolarHBondContact O-CG 3.49Å; V396-L400 PolarHBondContact O-N 2.92Å; V396-L415 HydrophobicContact CG1-CD1 4.32Å; V396-L415 HydrophobicContact CG1-CD2 4.43Å; V396-L484 HydrophobicContact CG1-CD2 4.21Å; V396-L484 HydrophobicContact CG2-CD2 3.72Å; V396-I487 HydrophobicContact CB-CD1 4.01Å; V396-I487 HydrophobicContact CG1-CD1 3.83Å; V396-I487 HydrophobicContact CG1-CG2 4.3Å
397	M	98.7	Very high	98.6	Very high	17 Å²	17	46.7 Å²	46.7	8%	0.084	23%	0.234	C	C	.	.	H	α-helix	trans	-66.5	-33.6	174.8	-70.5	-53.6	-75.9	0	0	113	Y393 S394 L400 K401 I487 E491 F493	Y393-M397 HydrophobicContact CD1-CG 4.14Å; Y393-M397 HydrophobicContact CD2-CG 4.39Å; Y393-M397 HydrophobicContact CE1-CG 3.77Å; Y393-M397 HydrophobicContact CE2-CG 4.03Å; Y393-M397 HydrophobicContact CG-CG 4.42Å; Y393-M397 WeakPolarHBondContact O-CB 3.28Å; Y393-M397 VanDerWaalsContact O-CG 3.26Å; Y393-M397 WeakPolarHBondContact O-CG 3.17Å; Y393-M397 PolarHBondContact O-N 2.99Å; S394-M397 PolarHBondContact O-N 2.6Å; M397-L400 HydrophobicContact SD-CD1 4.11Å; M397-K401 WeakPolarHBondContact O-CB 3.44Å; M397-K401 WeakPolarHBondContact O-CD 3.4Å; M397-K401 WeakPolarHBondContact O-CG 3.26Å; M397-K401 PolarHBondContact O-N 3.2Å; M397-K401 VanDerWaalsContact O-N 3.11Å; M397-I487 HydrophobicContact SD-CG2 4.06Å; M397-E491 HydrophobicContact CE-CB 4.31Å; M397-E491 HydrophobicContact CE-CG 3.71Å; M397-E491 WeakPolarHBondContact CE-OE2 3.49Å; M397-E491 HydrophobicContact SD-CB 4.49Å; M397-E491 HydrophobicContact SD-CG 3.72Å; M397-F493 HydrophobicContact CE-CZ 4Å; M397-F493 HydrophobicContact SD-CZ 4.39Å
398	Q	98.5	Very high	98.5	Very high	100 Å²	100	46.6 Å²	46.6	47%	0.467	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-46.1	168.9	-175.1	178.4	10.7	0	0	111	S394 N395 V396 K401 H402	S394-Q398 PolarHBondContact O-N 3.48Å; N395-Q398 PolarHBondContact O-N 3.18Å; V396-Q398 VanDerWaalsContact C-N 3.34Å; V396-Q398 PolarHBondContact O-N 3.27Å; Q398-K401 PolarHBondContact O-N 2.61Å; Q398-H402 PolarHBondContact O-N 2.02Å; Q398-H402 VanDerWaalsContact O-N 3.09Å
399	T	98.7	Very high	98.5	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-50.5	178.5	-59.6	0	0	0	0	111.7	L260 L347 I351 Y368 N395 V396 K401 H402 L403	L260-T399 HydrophobicContact CD1-CG2 4.27Å; L347-T399 HydrophobicContact CD2-CG2 3.65Å; I351-T399 HydrophobicContact CD1-CG2 3.85Å; Y368-T399 HydrophobicContact CD2-CG2 4.18Å; Y368-T399 HydrophobicContact CE2-CG2 4.17Å; N395-T399 PolarHBondContact O-N 2.99Å; N395-T399 PolarHBondContact O-OG1 2.98Å; V396-T399 WeakPolarHBondContact O-CA 3.31Å; V396-T399 VanDerWaalsContact O-CB 3.32Å; V396-T399 WeakPolarHBondContact O-CB 3.29Å; V396-T399 PolarHBondContact O-N 3.41Å; V396-T399 VanDerWaalsContact O-N 3.13Å; T399-K401 PolarHBondContact O-N 2.03Å; T399-H402 PolarHBondContact O-N 3.23Å; T399-L403 HydrophobicContact CG2-CD1 4.32Å; T399-L403 WeakPolarHBondContact O-CG 3.1Å; T399-L403 PolarHBondContact O-N 3.11Å
400	L	98.8	Very high	98.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-35	-178.2	-67.6	171.7	0	0	0	112.6	V396 M397 L403 N404 V413 L415 I487 F493 F496 L498	V396-L400 HydrophobicContact CG1-CD1 3.81Å; V396-L400 HydrophobicContact CG1-CG 4.17Å; V396-L400 WeakPolarHBondContact O-CG 3.49Å; V396-L400 PolarHBondContact O-N 2.92Å; M397-L400 HydrophobicContact SD-CD1 4.11Å; L400-L403 HydrophobicContact CD2-CD1 4.48Å; L400-L403 PolarHBondContact O-N 3.15Å; L400-N404 WeakPolarHBondContact O-CB 3.45Å; L400-N404 PolarHBondContact O-N 2.99Å; L400-V413 HydrophobicContact CD2-CG1 3.81Å; L400-L415 HydrophobicContact CD2-CD2 4.4Å; L400-I487 HydrophobicContact CD1-CG2 3.63Å; L400-F493 HydrophobicContact CB-CE1 3.81Å; L400-F493 HydrophobicContact CB-CE2 3.92Å; L400-F493 HydrophobicContact CB-CZ 3.41Å; L400-F493 VanDerWaalsContact CB-CZ 3.41Å; L400-F493 HydrophobicContact CD1-CE2 3.91Å; L400-F493 HydrophobicContact CD1-CZ 4.01Å; L400-F493 HydrophobicContact CG-CE2 4.41Å; L400-F493 HydrophobicContact CG-CZ 4.3Å; L400-F496 HydrophobicContact CB-CZ 4.27Å; L400-F496 HydrophobicContact CD2-CE2 4.07Å; L400-F496 HydrophobicContact CD2-CZ 3.93Å; L400-L498 HydrophobicContact CD1-CD1 4.47Å; L400-L498 HydrophobicContact CD1-CD2 3.85Å; L400-L498 HydrophobicContact CD2-CD1 3.81Å; L400-L498 HydrophobicContact CD2-CD2 4.49Å
401	K	98.5	Very high	98.1	Very high	138 Å²	138	44.6 Å²	44.6	60%	0.6	23%	0.233	S	C	*	.	H	α-helix	trans	-63.7	-45.4	172.5	-74.6	171.2	-175.9	-178.9	0	111.9	M397 Q398 T399 N404 S405 F493	M397-K401 WeakPolarHBondContact O-CB 3.44Å; M397-K401 WeakPolarHBondContact O-CD 3.4Å; M397-K401 WeakPolarHBondContact O-CG 3.26Å; M397-K401 PolarHBondContact O-N 3.2Å; M397-K401 VanDerWaalsContact O-N 3.11Å; Q398-K401 PolarHBondContact O-N 2.61Å; T399-K401 PolarHBondContact O-N 2.03Å; K401-N404 PolarHBondContact O-N 3.11Å; K401-S405 PolarHBondContact O-N 3.42Å; K401-F493 HydrophobicContact CG-CE1 4.45Å
402	H	98.3	Very high	98	Very high	29 Å²	29	39.1 Å²	39.1	13%	0.134	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-44	173.7	168.6	103.5	0	0	0	111.2	I351 E352 Q398 T399 N404 S405 H406	I351-H402 HydrophobicContact CD1-CB 4.49Å; I351-H402 VanDerWaalsContact CD1-CD2 3.44Å; I351-H402 WeakPolarHBondContact CD1-CD2 3.28Å; E352-H402 VanDerWaalsContact CD-CE1 3.45Å; E352-H402 IonicContact OE1-CE1 3.73Å; E352-H402 PolarHBondContact OE1-CE1 3.13Å; E352-H402 IonicContact OE1-ND1 3.3Å; E352-H402 PolarHBondContact OE1-ND1 3.19Å; E352-H402 VanDerWaalsContact OE1-ND1 3.12Å; E352-H402 IonicContact OE2-CE1 2.62Å; E352-H402 PolarHBondContact OE2-CE1 3.35Å; Q398-H402 PolarHBondContact O-N 2.02Å; Q398-H402 VanDerWaalsContact O-N 3.09Å; T399-H402 PolarHBondContact O-N 3.23Å; H402-N404 VanDerWaalsContact C-N 3.27Å; H402-N404 PolarHBondContact O-N 2.75Å; H402-S405 PolarHBondContact O-N 3.02Å; H402-S405 PolarHBondContact O-OG 2.82Å; H402-H406 AromaticContact CD2-ND1 3.68Å; H402-H406 AromaticContact CE1-CE1 3.2Å; H402-H406 PolarHBondContact CE1-CE1 3.19Å; H402-H406 AromaticContact CE1-ND1 3.41Å; H402-H406 PolarHBondContact CE1-ND1 3.31Å; H402-H406 AromaticContact CG-ND1 3.83Å; H402-H406 AromaticContact ND1-CE1 3.45Å; H402-H406 PolarHBondContact ND1-CE1 3.06Å; H402-H406 AromaticContact ND1-ND1 3.68Å; H402-H406 AromaticContact NE2-CE1 3.7Å; H402-H406 AromaticContact NE2-ND1 3.41Å; H402-H406 PolarHBondContact NE2-ND1 3.05Å; H402-H406 PolarHBondContact O-N 3.27Å; H402-H406 PolarHBondContact O-ND1 2.97Å
403	L	98.6	Very high	97.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-36.5	175.8	-70.9	176.8	0	0	0	112	L260 L354 V366 T399 L400 S405 H406 L407 V413 F496	L260-L403 HydrophobicContact CD1-CD1 3.99Å; L260-L403 HydrophobicContact CD1-CD2 4.27Å; L354-L403 HydrophobicContact CD1-CD2 3.9Å; V366-L403 HydrophobicContact CG1-CD1 4.23Å; T399-L403 HydrophobicContact CG2-CD1 4.32Å; T399-L403 WeakPolarHBondContact O-CG 3.1Å; T399-L403 PolarHBondContact O-N 3.11Å; L400-L403 HydrophobicContact CD2-CD1 4.48Å; L400-L403 PolarHBondContact O-N 3.15Å; L403-S405 VanDerWaalsContact C-N 3.28Å; L403-S405 PolarHBondContact O-N 3.44Å; L403-H406 PolarHBondContact O-N 3.44Å; L403-L407 HydrophobicContact CB-CD1 3.96Å; L403-L407 HydrophobicContact CB-CG 4.39Å; L403-L407 HydrophobicContact CD2-CD1 4.29Å; L403-L407 HydrophobicContact CD2-CG 4.43Å; L403-L407 WeakPolarHBondContact O-CB 3.43Å; L403-L407 WeakPolarHBondContact O-CG 3.46Å; L403-L407 PolarHBondContact O-N 2.93Å; L403-V413 HydrophobicContact CD1-CG1 4.26Å; L403-V413 HydrophobicContact CD1-CG2 4.18Å; L403-F496 HydrophobicContact CB-CE1 3.92Å; L403-F496 HydrophobicContact CB-CZ 4.48Å
404	N	98.4	Very high	97.8	Very high	32 Å²	32	34.8 Å²	34.8	17%	0.171	19%	0.192	C	C	.	.	H	α-helix	trans	-72.2	-19.1	-179.5	-168.5	59.7	0	0	0	113.6	L400 K401 H402 F493 T494 N495 F496	L400-N404 WeakPolarHBondContact O-CB 3.45Å; L400-N404 PolarHBondContact O-N 2.99Å; K401-N404 PolarHBondContact O-N 3.11Å; H402-N404 VanDerWaalsContact C-N 3.27Å; H402-N404 PolarHBondContact O-N 2.75Å; N404-F493 HydrophobicContact CB-CB 4.42Å; N404-F493 HydrophobicContact CB-CD1 3.8Å; N404-T494 PolarHBondContact ND2-OG1 3.44Å; N404-T494 VanDerWaalsContact ND2-OG1 3.15Å; N404-T494 PolarHBondContact OD1-N 3.42Å; N404-T494 VanDerWaalsContact OD1-N 3.13Å; N404-T494 PolarHBondContact OD1-OG1 3.03Å; N404-N495 PolarHBondContact O-ND2 3.06Å; N404-N495 PolarHBondContact OD1-N 2.78Å; N404-N495 PolarHBondContact OD1-ND2 2.64Å; N404-F496 HydrophobicContact CB-CD1 4.48Å; N404-F496 HydrophobicContact CB-CE1 3.76Å; N404-F496 HydrophobicContact CB-CZ 4.49Å
405	S	97.8	Very high	97.7	Very high	67 Å²	67	31.2 Å²	31.2	47%	0.469	17%	0.167	S	C	.	.	H	α-helix	trans	-83.6	-23.4	171.3	59	0	0	0	0	113.5	K358 K401 H402 L403	K358-S405 WeakPolarHBondContact CD-O 3.05Å; K401-S405 PolarHBondContact O-N 3.42Å; H402-S405 PolarHBondContact O-N 3.02Å; H402-S405 PolarHBondContact O-OG 2.82Å; L403-S405 VanDerWaalsContact C-N 3.28Å; L403-S405 PolarHBondContact O-N 3.44Å
406	H	97.8	Very high	97.5	Very high	63 Å²	63	30.3 Å²	30.3	29%	0.292	16%	0.162	S	C	.	.	H	α-helix	trans	-104.9	-36.8	-173.5	-66.1	93	0	0	0	114.7	K358 H402 L403	K358-H406 VanDerWaalsContact CA-O 3.32Å; K358-H406 WeakPolarHBondContact CA-O 3.45Å; K358-H406 WeakPolarHBondContact CB-O 3.26Å; K358-H406 PolarHBondContact N-O 2.84Å; H402-H406 AromaticContact CD2-ND1 3.68Å; H402-H406 AromaticContact CE1-CE1 3.2Å; H402-H406 PolarHBondContact CE1-CE1 3.19Å; H402-H406 AromaticContact CE1-ND1 3.41Å; H402-H406 PolarHBondContact CE1-ND1 3.31Å; H402-H406 AromaticContact CG-ND1 3.83Å; H402-H406 AromaticContact ND1-CE1 3.45Å; H402-H406 PolarHBondContact ND1-CE1 3.06Å; H402-H406 AromaticContact ND1-ND1 3.68Å; H402-H406 AromaticContact NE2-CE1 3.7Å; H402-H406 AromaticContact NE2-ND1 3.41Å; H402-H406 PolarHBondContact NE2-ND1 3.05Å; H402-H406 PolarHBondContact O-N 3.27Å; H402-H406 PolarHBondContact O-ND1 2.97Å; L403-H406 PolarHBondContact O-N 3.44Å
407	L	98.3	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-73.3	136.1	-175.6	-65.7	177.2	0	0	0	112.1	I258 A364 V366 L403 V413 N495 F496	I258-L407 HydrophobicContact CD1-CD2 4.49Å; A364-L407 HydrophobicContact CB-CD2 4.36Å; V366-L407 HydrophobicContact CG2-CD1 3.72Å; V366-L407 HydrophobicContact CG2-CD2 3.88Å; V366-L407 HydrophobicContact CG2-CG 4.46Å; L403-L407 HydrophobicContact CB-CD1 3.96Å; L403-L407 HydrophobicContact CB-CG 4.39Å; L403-L407 HydrophobicContact CD2-CD1 4.29Å; L403-L407 HydrophobicContact CD2-CG 4.43Å; L403-L407 WeakPolarHBondContact O-CB 3.43Å; L403-L407 WeakPolarHBondContact O-CG 3.46Å; L403-L407 PolarHBondContact O-N 2.93Å; L407-V413 HydrophobicContact CD1-CG2 3.99Å; L407-N495 WeakPolarHBondContact O-CB 3.28Å; L407-F496 HydrophobicContact CD1-CD1 3.92Å; L407-F496 HydrophobicContact CD1-CE1 4.48Å
408	P	98.3	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-59	148.8	167.2	-24.6	34.9	0	0	0	112.2	R356 N357 K358 D361 S411	R356-P408 HydrophobicContact CG-CG 4.29Å; N357-P408 WeakPolarHBondContact O-CG 3.36Å; K358-P408 WeakPolarHBondContact O-CA 3.38Å; D361-P408 HydrophobicContact CB-CG 4.15Å; D361-P408 WeakPolarHBondContact O-CG 3.35Å; P408-S411 WeakPolarHBondContact O-CB 3.41Å; P408-S411 PolarHBondContact O-N 3.09Å; P408-S411 PolarHBondContact O-OG 3.22Å
409	N	97.3	Very high	96.9	Very high	112 Å²	112	26 Å²	26	60%	0.599	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	141.5	176.3	-172.9	21.7	0	0	0	111.7	P363 T494 N495	P363-N409 WeakPolarHBondContact CG-O 3.34Å; N409-T494 PolarHBondContact OD1-O 2.76Å; N409-N495 WeakPolarHBondContact CA-O 3.44Å
410	G	92.4	Very high	96.7	Very high	38 Å²	38	28.9 Å²	28.9	39%	0.392	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	12.9	-171.3	0	0	0	0	0	113.9	P363 N495	P363-G410 WeakPolarHBondContact CB-O 3.28Å; G410-N495 PolarHBondContact N-O 3.2Å
411	S	97.4	Very high	96.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	168.6	174.3	-66.7	0	0	0	0	111.7	P363 A364 P408 N495 F496 N497	P363-S411 WeakPolarHBondContact CA-OG 3.37Å; A364-S411 PolarHBondContact N-OG 3.39Å; A364-S411 WeakPolarHBondContact O-CA 3.02Å; A364-S411 VanDerWaalsContact O-CB 3.28Å; A364-S411 WeakPolarHBondContact O-CB 3.49Å; P408-S411 WeakPolarHBondContact O-CB 3.41Å; P408-S411 PolarHBondContact O-N 3.09Å; P408-S411 PolarHBondContact O-OG 3.22Å; S411-N495 PolarHBondContact N-O 3.08Å; S411-F496 WeakPolarHBondContact O-CA 3.15Å; S411-F496 VanDerWaalsContact O-CB 3.25Å; S411-F496 WeakPolarHBondContact O-CB 3.23Å; S411-N497 PolarHBondContact O-N 2.84Å; S411-N497 VanDerWaalsContact O-N 3.09Å
412	H	96.2	Very high	96.3	Very high	16 Å²	16	23.8 Å²	23.8	7%	0.074	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.3	178.3	-58.2	-97.8	0	0	0	109.5	R255 A364 I365 V366 N497 F499 E553	R255-H412 PolarHBondContact NH1-NE2 2.98Å; R255-H412 VanDerWaalsContact NH1-NE2 3.13Å; A364-H412 PolarHBondContact O-N 3.07Å; I365-H412 CarbonylContact C-O 3.53Å; I365-H412 WeakPolarHBondContact CA-O 3.39Å; I365-H412 HydrophobicContact CG1-CB 4.5Å; V366-H412 PolarHBondContact N-O 3.27Å; H412-N497 WeakPolarHBondContact CA-O 3.43Å; H412-F499 HydrophobicContact CB-CD2 4.48Å; H412-F499 HydrophobicContact CB-CE2 3.98Å; H412-F499 AromaticContact ND1-CE2 3.49Å; H412-F499 WeakPolarHBondContact ND1-CE2 3.39Å; H412-F499 AromaticContact ND1-CZ 3.89Å; H412-E553 IonicContact CE1-OE1 2.69Å; H412-E553 IonicContact NE2-OE1 3.99Å
413	V	97.5	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.7	175.6	-179	0	0	0	0	109.1	V366 L400 L403 L407 L415 F496 N497 L498 F499	V366-V413 HydrophobicContact CB-CG2 4.18Å; V366-V413 HydrophobicContact CG2-CG2 4.49Å; V366-V413 CarbonylContact O-C 3.41Å; V366-V413 WeakPolarHBondContact O-CA 3.02Å; L400-V413 HydrophobicContact CD2-CG1 3.81Å; L403-V413 HydrophobicContact CD1-CG1 4.26Å; L403-V413 HydrophobicContact CD1-CG2 4.18Å; L407-V413 HydrophobicContact CD1-CG2 3.99Å; V413-L415 HydrophobicContact CG1-CD2 4.37Å; V413-F496 HydrophobicContact CB-CD2 3.79Å; V413-F496 HydrophobicContact CB-CE2 3.95Å; V413-F496 HydrophobicContact CB-CG 4.4Å; V413-F496 HydrophobicContact CG2-CB 4.09Å; V413-F496 HydrophobicContact CG2-CD1 3.9Å; V413-F496 HydrophobicContact CG2-CD2 3.39Å; V413-F496 HydrophobicContact CG2-CE1 4.1Å; V413-F496 HydrophobicContact CG2-CE2 3.65Å; V413-F496 HydrophobicContact CG2-CG 3.53Å; V413-F496 HydrophobicContact CG2-CZ 4Å; V413-N497 PolarHBondContact N-O 2.88Å; V413-L498 HydrophobicContact CB-CD1 3.77Å; V413-L498 HydrophobicContact CG1-CD1 3.72Å; V413-L498 CarbonylContact O-C 3.31Å; V413-L498 WeakPolarHBondContact O-CA 3.49Å; V413-F499 PolarHBondContact O-N 3.06Å
414	I	96.3	Very high	95.9	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.9	-178.3	-45.9	177.1	0	0	0	109.1	I365 V366 Y368 Y416 F499 M501 L549	I365-I414 HydrophobicContact CG2-CD1 4.04Å; V366-I414 PolarHBondContact O-N 3.25Å; Y368-I414 PolarHBondContact N-O 2.72Å; I414-Y416 HydrophobicContact CB-CE2 4.32Å; I414-Y416 HydrophobicContact CG2-CD2 3.97Å; I414-Y416 HydrophobicContact CG2-CE2 3.69Å; I414-F499 HydrophobicContact CG1-CB 4.39Å; I414-F499 HydrophobicContact CG1-CD2 4.34Å; I414-F499 HydrophobicContact CG2-CB 4.3Å; I414-M501 HydrophobicContact CG2-CB 4.33Å; I414-M501 HydrophobicContact CG2-CG 3.63Å; I414-M501 HydrophobicContact CG2-SD 3.78Å; I414-L549 HydrophobicContact CD1-CD2 4.32Å
415	L	97.5	Very high	95.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122	174.7	-54.2	-177	0	0	0	109.8	Y368 V396 L400 V413 L484 I487 A488 L498 F499 Y500 M501	Y368-L415 HydrophobicContact CD1-CD2 4.08Å; Y368-L415 HydrophobicContact CG-CD2 3.95Å; V396-L415 HydrophobicContact CG1-CD1 4.32Å; V396-L415 HydrophobicContact CG1-CD2 4.43Å; L400-L415 HydrophobicContact CD2-CD2 4.4Å; V413-L415 HydrophobicContact CG1-CD2 4.37Å; L415-L484 HydrophobicContact CB-CB 4.24Å; L415-L484 HydrophobicContact CD1-CB 4.33Å; L415-L484 HydrophobicContact CD1-CD2 4.19Å; L415-I487 HydrophobicContact CD1-CB 4.25Å; L415-I487 HydrophobicContact CD1-CG2 3.96Å; L415-A488 HydrophobicContact CD1-CB 4.38Å; L415-L498 HydrophobicContact CD1-CD1 4.22Å; L415-L498 HydrophobicContact CD2-CD1 4.25Å; L415-L498 HydrophobicContact CG-CD1 3.93Å; L415-F499 PolarHBondContact N-O 2.76Å; L415-Y500 HydrophobicContact CB-CD2 4.34Å; L415-Y500 CarbonylContact O-C 3.54Å; L415-Y500 WeakPolarHBondContact O-CA 3.39Å; L415-Y500 WeakPolarHBondContact O-CD2 3.48Å; L415-M501 PolarHBondContact O-N 3.34Å
416	Y	92.9	Very high	95.9	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.027	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.6	175.5	-81.8	-149.5	0	0	0	110.7	I367 Y368 I414 L484 M501 L543	I367-Y416 HydrophobicContact CG2-CD2 3.89Å; I367-Y416 HydrophobicContact CG2-CE1 4.25Å; I367-Y416 HydrophobicContact CG2-CE2 3.63Å; I367-Y416 HydrophobicContact CG2-CG 4.33Å; Y368-Y416 WeakPolarHBondContact O-CB 3.41Å; Y368-Y416 PolarHBondContact O-N 2.74Å; I414-Y416 HydrophobicContact CB-CE2 4.32Å; I414-Y416 HydrophobicContact CG2-CD2 3.97Å; I414-Y416 HydrophobicContact CG2-CE2 3.69Å; Y416-L484 WeakPolarHBondContact O-CD1 3.38Å; Y416-M501 WeakPolarHBondContact CA-O 3.39Å; Y416-M501 HydrophobicContact CD2-CB 4.28Å; Y416-M501 HydrophobicContact CE2-CB 4.29Å; Y416-M501 HydrophobicContact CE2-SD 4.28Å; Y416-L543 HydrophobicContact CE1-CD1 3.66Å; Y416-L543 HydrophobicContact CE1-CD2 4.24Å; Y416-L543 HydrophobicContact CE2-CD2 4.45Å; Y416-L543 WeakPolarHBondContact OH-CD1 3.43Å
417	G	94.5	Very high	95.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-59.8	157.7	165.3	0	0	0	0	0	112.2	S481 M501	G417-S481 WeakPolarHBondContact CA-OG 3.48Å; G417-M501 PolarHBondContact N-O 2.83Å
418	L	96.1	Very high	95.8	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.058	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-77.2	149.4	169.3	-73.5	72.1	0	0	0	109.6	V375 A477 L480 S481 L484	V375-L418 HydrophobicContact CG1-CD2 4.04Å; V375-L418 HydrophobicContact CG2-CD2 4.31Å; L418-A477 HydrophobicContact CB-CB 3.92Å; L418-A477 HydrophobicContact CD2-CB 4.25Å; L418-L480 HydrophobicContact CD1-CB 4.15Å; L418-L480 HydrophobicContact CD2-CB 4.35Å; L418-L480 HydrophobicContact CD2-CD1 4.05Å; L418-S481 PolarHBondContact N-OG 3.06Å; L418-S481 PolarHBondContact O-OG 2.76Å; L418-L484 HydrophobicContact CD1-CD1 4.17Å
419	P	93.3	Very high	95.8	Very high	15 Å²	15	25.9 Å²	25.9	10%	0.097	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-73.9	158.9	176.6	32.2	-35.5	0	0	0	112	I371 G421 W462 F503 F505	I371-P419 WeakPolarHBondContact O-CD 3.29Å; I371-P419 WeakPolarHBondContact O-CG 3.19Å; P419-G421 PolarHBondContact O-N 3.35Å; P419-W462 HydrophobicContact CG-CH2 3.99Å; P419-W462 HydrophobicContact CG-CZ3 4.33Å; P419-W462 WeakPolarHBondContact O-CH2 3.39Å; P419-W462 WeakPolarHBondContact O-CZ2 3.4Å; P419-F503 HydrophobicContact CB-CD1 3.74Å; P419-F503 HydrophobicContact CB-CD2 4.4Å; P419-F503 HydrophobicContact CB-CE1 4.02Å; P419-F503 HydrophobicContact CB-CG 3.95Å; P419-F503 HydrophobicContact CB-CZ 4.47Å; P419-F505 HydrophobicContact CB-CD2 3.74Å; P419-F505 HydrophobicContact CB-CE2 4.06Å
420	D	94.2	Very high	95.9	Very high	69 Å²	69	26.4 Å²	26.4	37%	0.369	15%	0.147	S	C	.	.			trans	-77.2	112.5	152.1	-177.2	-12.4	0	0	0	108.6	T422 S474	D420-T422 VanDerWaalsContact CG-OG1 3.26Å; D420-T422 VanDerWaalsContact OD1-CB 3.3Å; D420-T422 WeakPolarHBondContact OD1-CB 3.44Å; D420-T422 VanDerWaalsContact OD1-CG2 3.3Å; D420-T422 WeakPolarHBondContact OD1-CG2 3.48Å; D420-T422 PolarHBondContact OD1-N 3.33Å; D420-T422 PolarHBondContact OD1-OG1 2.84Å; D420-T422 PolarHBondContact OD2-OG1 3.3Å; D420-S474 PolarHBondContact OD1-OG 2.82Å
421	G	94.6	Very high	96.1	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.145	C	C	.	.			trans	-90.5	-0.1	179.8	0	0	0	0	0	115.2	P419 F423 L424	P419-G421 PolarHBondContact O-N 3.35Å; G421-F423 PolarHBondContact O-N 2.84Å; G421-F423 VanDerWaalsContact O-N 3.17Å; G421-L424 WeakPolarHBondContact O-CB 3.32Å; G421-L424 WeakPolarHBondContact O-CG 3.48Å; G421-L424 PolarHBondContact O-N 3.28Å
422	T	95.1	Very high	96.2	Very high	31 Å²	31	33.9 Å²	33.9	19%	0.19	16%	0.164	C	C	.	.	H	α-helix	trans	-53.5	-36	174.5	54.4	0	0	0	0	112	D420 L424 W425 D426 R470 S474	D420-T422 VanDerWaalsContact CG-OG1 3.26Å; D420-T422 VanDerWaalsContact OD1-CB 3.3Å; D420-T422 WeakPolarHBondContact OD1-CB 3.44Å; D420-T422 VanDerWaalsContact OD1-CG2 3.3Å; D420-T422 WeakPolarHBondContact OD1-CG2 3.48Å; D420-T422 PolarHBondContact OD1-N 3.33Å; D420-T422 PolarHBondContact OD1-OG1 2.84Å; D420-T422 PolarHBondContact OD2-OG1 3.3Å; T422-L424 PolarHBondContact O-N 2.72Å; T422-W425 PolarHBondContact O-N 2.73Å; T422-W425 VanDerWaalsContact O-N 3.15Å; T422-D426 PolarHBondContact O-N 2.81Å; T422-R470 HydrophobicContact CG2-CB 4.26Å; T422-S474 WeakPolarHBondContact CG2-OG 3.21Å
423	F	93.1	Very high	96.3	Very high	21 Å²	21	33.5 Å²	33.5	9%	0.092	16%	0.162	C	C	.	.	H	α-helix	trans	-42.3	-38.8	172.2	176.4	-92.1	0	0	0	114.6	G421 D426 N427 F505 I509 P519 I523	G421-F423 PolarHBondContact O-N 2.84Å; G421-F423 VanDerWaalsContact O-N 3.17Å; F423-D426 PolarHBondContact O-N 2.8Å; F423-N427 WeakPolarHBondContact CD2-ND2 3.42Å; F423-N427 VanDerWaalsContact CE2-ND2 3.31Å; F423-N427 WeakPolarHBondContact CE2-ND2 3.33Å; F423-N427 WeakPolarHBondContact O-CB 3.46Å; F423-N427 PolarHBondContact O-N 3.16Å; F423-N427 PolarHBondContact O-ND2 3.42Å; F423-F505 HydrophobicContact CB-CE1 4.11Å; F423-F505 HydrophobicContact CB-CZ 3.92Å; F423-F505 AromaticContact CD1-CE1 3.39Å; F423-F505 HydrophobicContact CD1-CE1 3.39Å; F423-F505 HydrophobicContact CD1-CE2 4.48Å; F423-F505 AromaticContact CD1-CZ 3.26Å; F423-F505 HydrophobicContact CD1-CZ 3.26Å; F423-F505 HydrophobicContact CD2-CD1 4.48Å; F423-F505 AromaticContact CD2-CE1 3.76Å; F423-F505 HydrophobicContact CD2-CE1 3.76Å; F423-F505 HydrophobicContact CD2-CZ 4.34Å; F423-F505 AromaticContact CE1-CE1 3.55Å; F423-F505 HydrophobicContact CE1-CE1 3.55Å; F423-F505 AromaticContact CE1-CZ 3.73Å; F423-F505 HydrophobicContact CE1-CZ 3.73Å; F423-F505 AromaticContact CE2-CE1 3.95Å; F423-F505 HydrophobicContact CE2-CE1 3.95Å; F423-F505 HydrophobicContact CG-CD1 4.43Å; F423-F505 AromaticContact CG-CE1 3.46Å; F423-F505 HydrophobicContact CG-CE1 3.46Å; F423-F505 VanDerWaalsContact CG-CE1 3.46Å; F423-F505 AromaticContact CG-CZ 3.58Å; F423-F505 HydrophobicContact CG-CZ 3.58Å; F423-F505 AromaticContact CZ-CE1 3.82Å; F423-F505 HydrophobicContact CZ-CE1 3.82Å; F423-F505 HydrophobicContact CZ-CZ 4.45Å; F423-I509 HydrophobicContact CD2-CD1 3.51Å; F423-I509 HydrophobicContact CD2-CG1 4.35Å; F423-I509 HydrophobicContact CE2-CD1 3.29Å; F423-I509 HydrophobicContact CE2-CG1 3.65Å; F423-I509 HydrophobicContact CZ-CD1 4.17Å; F423-I509 HydrophobicContact CZ-CG1 4.13Å; F423-P519 HydrophobicContact CE2-CB 3.43Å; F423-P519 VanDerWaalsContact CE2-CB 3.43Å; F423-P519 HydrophobicContact CZ-CB 3.38Å; F423-P519 WeakPolarHBondContact CZ-O 3.31Å; F423-I523 HydrophobicContact CD1-CD1 4.08Å; F423-I523 HydrophobicContact CD1-CG1 4.49Å; F423-I523 HydrophobicContact CE1-CD1 3.67Å; F423-I523 HydrophobicContact CE1-CG1 3.85Å
424	L	96.1	Very high	96.3	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.031	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-51	-176.6	-63.3	175.2	0	0	0	111.3	G421 T422 L428 I523 F529	G421-L424 WeakPolarHBondContact O-CB 3.32Å; G421-L424 WeakPolarHBondContact O-CG 3.48Å; G421-L424 PolarHBondContact O-N 3.28Å; T422-L424 PolarHBondContact O-N 2.72Å; L424-L428 VanDerWaalsContact O-CB 3.27Å; L424-L428 WeakPolarHBondContact O-CB 3.4Å; L424-L428 PolarHBondContact O-N 3.42Å; L424-L428 VanDerWaalsContact O-N 3.14Å; L424-I523 HydrophobicContact CD2-CD1 3.81Å; L424-I523 HydrophobicContact CD2-CG1 4.02Å; L424-I523 HydrophobicContact CD2-CG2 4Å; L424-F529 HydrophobicContact CD1-CD2 3.55Å; L424-F529 HydrophobicContact CD1-CE2 4.04Å; L424-F529 WeakPolarHBondContact CD2-O 3.3Å
425	W	98.1	Very high	96.2	Very high	27 Å²	27	33.6 Å²	33.6	10%	0.102	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-53.1	176.2	178.4	-84.6	0	0	0	109.7	T422 N427 L428 H429 A445 Y448 S464 S465 R470	T422-W425 PolarHBondContact O-N 2.73Å; T422-W425 VanDerWaalsContact O-N 3.15Å; W425-N427 PolarHBondContact O-N 2.84Å; W425-N427 VanDerWaalsContact O-N 3.13Å; W425-L428 PolarHBondContact O-N 2.98Å; W425-H429 AromaticContact CD1-ND1 3.85Å; W425-H429 HydrophobicContact CD2-CB 3.75Å; W425-H429 VanDerWaalsContact CE2-CB 3.42Å; W425-H429 AromaticContact CE2-CG 3.71Å; W425-H429 HydrophobicContact CE3-CB 4.16Å; W425-H429 HydrophobicContact CG-CB 4.23Å; W425-H429 HydrophobicContact CH2-CB 3.95Å; W425-H429 HydrophobicContact CZ2-CB 3.54Å; W425-H429 AromaticContact CZ2-CG 3.98Å; W425-H429 HydrophobicContact CZ3-CB 4.25Å; W425-H429 AromaticContact NE1-CD2 3.85Å; W425-H429 AromaticContact NE1-CG 3.52Å; W425-H429 AromaticContact NE1-ND1 3.72Å; W425-H429 WeakPolarHBondContact O-CB 3.37Å; W425-H429 PolarHBondContact O-N 2.93Å; W425-H429 PolarHBondContact O-ND1 2.84Å; W425-A445 HydrophobicContact CH2-CB 3.72Å; W425-A445 HydrophobicContact CZ2-CB 4.45Å; W425-A445 HydrophobicContact CZ3-CB 4.29Å; W425-Y448 AromaticContact CE3-CD2 3.77Å; W425-Y448 HydrophobicContact CE3-CD2 3.77Å; W425-Y448 HydrophobicContact CE3-CE2 4.21Å; W425-Y448 AromaticContact CZ3-CD2 3.85Å; W425-Y448 HydrophobicContact CZ3-CD2 3.85Å; W425-S464 VanDerWaalsContact CE3-C 3.41Å; W425-S464 VanDerWaalsContact CE3-O 3.28Å; W425-S465 VanDerWaalsContact CH2-CA 3.43Å; W425-S465 VanDerWaalsContact CH2-CB 3.5Å; W425-R470 VanDerWaalsContact CB-CD 3.49Å; W425-R470 VanDerWaalsContact CG-CZ 3.47Å
426	D	96.4	Very high	96.1	Very high	88 Å²	88	33.6 Å²	33.6	47%	0.471	16%	0.163	S	C	.	.	H	α-helix	trans	-61.1	-30.7	-170	-65.8	-8.4	0	0	0	112.6	T422 F423 R470	T422-D426 PolarHBondContact O-N 2.81Å; F423-D426 PolarHBondContact O-N 2.8Å; D426-R470 IonicContact OD1-NH2 2.74Å
427	N	97.1	Very high	96.3	Very high	46 Å²	46	38 Å²	38	25%	0.246	18%	0.183	C	C	.	.	H	α-helix	trans	-97.1	-15.9	179.5	-70.2	-91.1	0	0	0	115.3	F423 W425 R431 P519 W520	F423-N427 WeakPolarHBondContact CD2-ND2 3.42Å; F423-N427 VanDerWaalsContact CE2-ND2 3.31Å; F423-N427 WeakPolarHBondContact CE2-ND2 3.33Å; F423-N427 WeakPolarHBondContact O-CB 3.46Å; F423-N427 PolarHBondContact O-N 3.16Å; F423-N427 PolarHBondContact O-ND2 3.42Å; W425-N427 PolarHBondContact O-N 2.84Å; W425-N427 VanDerWaalsContact O-N 3.13Å; N427-R431 WeakPolarHBondContact O-CD 3.35Å; N427-P519 WeakPolarHBondContact OD1-CB 3.08Å; N427-W520 HydrophobicContact CB-CB 4.41Å
428	L	98.3	Very high	96.4	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-114.8	-29	-175.8	-65.1	-177.5	0	0	0	115.7	L424 W425 N430 R431 Y444 Y448 W520 I523 G528	L424-L428 VanDerWaalsContact O-CB 3.27Å; L424-L428 WeakPolarHBondContact O-CB 3.4Å; L424-L428 PolarHBondContact O-N 3.42Å; L424-L428 VanDerWaalsContact O-N 3.14Å; W425-L428 PolarHBondContact O-N 2.98Å; L428-N430 VanDerWaalsContact C-N 3.3Å; L428-N430 PolarHBondContact O-N 2.88Å; L428-R431 WeakPolarHBondContact O-CB 3.26Å; L428-R431 PolarHBondContact O-N 3.24Å; L428-Y444 HydrophobicContact CB-CD1 4.37Å; L428-Y444 HydrophobicContact CB-CD2 3.87Å; L428-Y444 HydrophobicContact CB-CE2 4.45Å; L428-Y444 HydrophobicContact CB-CG 3.83Å; L428-Y444 HydrophobicContact CD1-CD1 4.11Å; L428-Y444 HydrophobicContact CD1-CE1 4.13Å; L428-Y444 HydrophobicContact CD1-CG 4.4Å; L428-Y444 HydrophobicContact CD2-CD2 4.3Å; L428-Y444 HydrophobicContact CD2-CE2 4.04Å; L428-Y444 WeakPolarHBondContact O-CD2 3.44Å; L428-Y448 VanDerWaalsContact CD1-OH 3.27Å; L428-Y448 WeakPolarHBondContact CD1-OH 3.49Å; L428-W520 HydrophobicContact CD2-CB 3.89Å; L428-I523 HydrophobicContact CD1-CB 4.2Å; L428-I523 HydrophobicContact CD1-CD1 3.52Å; L428-I523 HydrophobicContact CD1-CG1 4.46Å; L428-I523 HydrophobicContact CD1-CG2 3.83Å; L428-I523 HydrophobicContact CD2-CD1 4.02Å; L428-I523 HydrophobicContact CG-CD1 3.57Å; L428-G528 VanDerWaalsContact CD1-O 3.32Å; L428-G528 WeakPolarHBondContact CD1-O 3.2Å
429	H	98.1	Very high	96.4	Very high	46 Å²	46	43.9 Å²	43.9	21%	0.213	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-41.2	-164.3	67	-77.4	0	0	0	115.2	W425 T443 A445	W425-H429 AromaticContact CD1-ND1 3.85Å; W425-H429 HydrophobicContact CD2-CB 3.75Å; W425-H429 VanDerWaalsContact CE2-CB 3.42Å; W425-H429 AromaticContact CE2-CG 3.71Å; W425-H429 HydrophobicContact CE3-CB 4.16Å; W425-H429 HydrophobicContact CG-CB 4.23Å; W425-H429 HydrophobicContact CH2-CB 3.95Å; W425-H429 HydrophobicContact CZ2-CB 3.54Å; W425-H429 AromaticContact CZ2-CG 3.98Å; W425-H429 HydrophobicContact CZ3-CB 4.25Å; W425-H429 AromaticContact NE1-CD2 3.85Å; W425-H429 AromaticContact NE1-CG 3.52Å; W425-H429 AromaticContact NE1-ND1 3.72Å; W425-H429 WeakPolarHBondContact O-CB 3.37Å; W425-H429 PolarHBondContact O-N 2.93Å; W425-H429 PolarHBondContact O-ND1 2.84Å; H429-T443 WeakPolarHBondContact O-CB 3.41Å; H429-A445 HydrophobicContact CB-CB 4.25Å; H429-A445 VanDerWaalsContact O-CB 3.31Å; H429-A445 WeakPolarHBondContact O-CB 3.28Å; H429-A445 PolarHBondContact O-N 2.95Å; H429-A445 VanDerWaalsContact O-N 3.16Å
430	N	98.1	Very high	96.6	Very high	123 Å²	123	50.1 Å²	50.1	66%	0.658	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.7	178.4	-68.3	-24.4	0	0	0	114.7	L428	L428-N430 VanDerWaalsContact C-N 3.3Å; L428-N430 PolarHBondContact O-N 2.88Å
431	R	98.3	Very high	96.6	Very high	96 Å²	96	48.8 Å²	48.8	36%	0.362	23%	0.233	S	C	.	.	S	Bend	trans	-86.8	148.6	-179.9	-55.8	-170.2	65.1	71.8	2.1	110	N427 L428 T443 Y444 W520	N427-R431 WeakPolarHBondContact O-CD 3.35Å; L428-R431 WeakPolarHBondContact O-CB 3.26Å; L428-R431 PolarHBondContact O-N 3.24Å; R431-T443 CarbonylContact O-C 3.53Å; R431-T443 WeakPolarHBondContact O-CA 3.45Å; R431-T443 WeakPolarHBondContact O-CB 3.45Å; R431-Y444 HydrophobicContact CB-CD2 4.02Å; R431-Y444 HydrophobicContact CB-CE2 4.08Å; R431-Y444 VanDerWaalsContact O-CD2 3.27Å; R431-Y444 WeakPolarHBondContact O-CD2 3.45Å; R431-Y444 PolarHBondContact O-N 3.25Å; R431-W520 VanDerWaalsContact CZ-CE2 3.47Å
432	Y	98.4	Very high	96.7	Very high	100 Å²	100	48.8 Å²	48.8	39%	0.392	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-73	127.4	170.8	-61	-66	0	0	0	110.7	K440 M442 T443	Y432-K440 HydrophobicContact CE1-CB 3.94Å; Y432-K440 WeakPolarHBondContact CE1-O 3.36Å; Y432-K440 HydrophobicContact CE2-CB 4Å; Y432-K440 HydrophobicContact CE2-CG 4.08Å; Y432-K440 PolarHBondContact OH-O 3.46Å; Y432-M442 WeakPolarHBondContact CA-O 3.35Å; Y432-T443 HydrophobicContact CD1-CG2 3.99Å; Y432-T443 HydrophobicContact CE1-CG2 3.94Å
433	H	98	Very high	96.9	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.037	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-67.3	152.6	165.7	174.8	-87	0	0	0	109.2	I275 L435 G436 Q437 M442 Y444 L447 P525 V526	I275-H433 WeakPolarHBondContact CD1-CE1 3.23Å; H433-L435 VanDerWaalsContact C-N 3.28Å; H433-L435 WeakPolarHBondContact CE1-CD1 3.21Å; H433-L435 WeakPolarHBondContact CE1-CG 3.16Å; H433-L435 PolarHBondContact ND1-N 2.8Å; H433-L435 PolarHBondContact O-N 2.84Å; H433-L435 VanDerWaalsContact O-N 3.13Å; H433-G436 CarbonylContact O-C 3.46Å; H433-G436 WeakPolarHBondContact O-CA 3.35Å; H433-G436 PolarHBondContact O-N 3.44Å; H433-Q437 WeakPolarHBondContact O-CG 3.13Å; H433-Q437 PolarHBondContact O-N 2.72Å; H433-M442 HydrophobicContact CB-CE 3.57Å; H433-M442 HydrophobicContact CB-SD 3.85Å; H433-M442 PolarHBondContact N-O 2.77Å; H433-M442 VanDerWaalsContact ND1-CE 3.3Å; H433-M442 WeakPolarHBondContact ND1-CE 3.43Å; H433-Y444 HydrophobicContact CB-CE1 4.37Å; H433-Y444 HydrophobicContact CB-CE2 4.37Å; H433-Y444 AromaticContact CD2-CE1 3.78Å; H433-L447 VanDerWaalsContact CD2-CD2 3.44Å; H433-L447 WeakPolarHBondContact CD2-CD2 3.47Å; H433-P525 PolarHBondContact CD2-O 2.84Å; H433-V526 WeakPolarHBondContact NE2-CA 2.94Å; H433-V526 PolarHBondContact NE2-O 3.36Å
434	P	97.4	Very high	97.1	Very high	3 Å²	3	48 Å²	48	2%	0.019	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-42	-46.4	177.9	-34.3	37.3	0	0	0	115.7	P272 I275 G436 Q437 P525	P272-P434 HydrophobicContact CB-CB 4.45Å; P272-P434 HydrophobicContact CB-CG 4.13Å; I275-P434 HydrophobicContact CD1-CB 4Å; I275-P434 HydrophobicContact CG1-CB 4.01Å; P434-G436 PolarHBondContact O-N 2.93Å; P434-Q437 WeakPolarHBondContact O-CB 3.41Å; P434-Q437 PolarHBondContact O-N 2.62Å; P434-P525 WeakPolarHBondContact CD-O 3.28Å; P434-P525 HydrophobicContact CG-CB 4.11Å
435	L	94.6	Very high	97.2	Very high	6 Å²	6	49 Å²	49	3%	0.031	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-63.4	-25.3	176.7	-73	169.1	0	0	0	113.5	L46 V50 Q53 I275 H433 M442	L46-L435 HydrophobicContact CG-CD1 4.24Å; V50-L435 HydrophobicContact CG2-CD2 3.91Å; Q53-L435 PolarHBondContact NE2-O 3.3Å; I275-L435 HydrophobicContact CB-CD2 4.09Å; I275-L435 HydrophobicContact CB-CG 4.42Å; I275-L435 HydrophobicContact CD1-CG 4.22Å; H433-L435 VanDerWaalsContact C-N 3.28Å; H433-L435 WeakPolarHBondContact CE1-CD1 3.21Å; H433-L435 WeakPolarHBondContact CE1-CG 3.16Å; H433-L435 PolarHBondContact ND1-N 2.8Å; H433-L435 PolarHBondContact O-N 2.84Å; H433-L435 VanDerWaalsContact O-N 3.13Å; L435-M442 HydrophobicContact CB-CE 3.79Å; L435-M442 HydrophobicContact CD1-CE 4.45Å
436	G	96.3	Very high	97.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-94.2	1.1	177.9	0	0	0	0	0	114.9	H433 P434 K440 D441	H433-G436 CarbonylContact O-C 3.46Å; H433-G436 WeakPolarHBondContact O-CA 3.35Å; H433-G436 PolarHBondContact O-N 3.44Å; P434-G436 PolarHBondContact O-N 2.93Å; G436-K440 WeakPolarHBondContact O-CA 3.33Å; G436-K440 PolarHBondContact O-N 3.22Å; G436-D441 WeakPolarHBondContact CA-OD1 3.44Å
437	Q	96.8	Very high	97.3	Very high	98 Å²	98	46.6 Å²	46.6	46%	0.458	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-34.5	-173.5	-73.3	178.8	13.5	0	0	113.7	H433 P434	H433-Q437 WeakPolarHBondContact O-CG 3.13Å; H433-Q437 PolarHBondContact O-N 2.72Å; P434-Q437 WeakPolarHBondContact O-CB 3.41Å; P434-Q437 PolarHBondContact O-N 2.62Å
438	L	96.8	Very high	97.3	Very high	63 Å²	63	44.5 Å²	44.5	33%	0.33	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-51.2	-177.7	-175.3	66.2	0	0	0	111.3	Q53 Q56 V57	Q53-L438 HydrophobicContact CB-CD2 3.84Å; Q53-L438 HydrophobicContact CG-CD2 3.9Å; Q56-L438 HydrophobicContact CB-CD2 4.26Å; V57-L438 HydrophobicContact CG2-CD1 4.06Å; V57-L438 HydrophobicContact CG2-CD2 3.84Å
439	N	96.3	Very high	97.2	Very high	73 Å²	73	48 Å²	48	39%	0.39	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-3.8	-171.9	-65	-29.6	0	0	0	114	Q56 D441	Q56-N439 PolarHBondContact OE1-ND2 2.94Å; Q56-N439 PolarHBondContact OE1-OD1 3.18Å; N439-D441 VanDerWaalsContact C-N 3.26Å; N439-D441 HydrophobicContact CB-CB 4.23Å; N439-D441 WeakPolarHBondContact CB-OD2 3.05Å; N439-D441 PolarHBondContact O-N 2.93Å
440	K	96.8	Very high	97.2	Very high	145 Å²	145	45.9 Å²	45.9	63%	0.63	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	37.2	-179.5	-59.5	179.1	-175.5	173	0	112.9	Y432 G436	Y432-K440 HydrophobicContact CE1-CB 3.94Å; Y432-K440 WeakPolarHBondContact CE1-O 3.36Å; Y432-K440 HydrophobicContact CE2-CB 4Å; Y432-K440 HydrophobicContact CE2-CG 4.08Å; Y432-K440 PolarHBondContact OH-O 3.46Å; G436-K440 WeakPolarHBondContact O-CA 3.33Å; G436-K440 PolarHBondContact O-N 3.22Å
441	D	94.9	Very high	97	Very high	42 Å²	42	41 Å²	41	23%	0.225	20%	0.202	C	C	.	.			trans	-114.5	-13.9	-167.1	58.7	-10.9	0	0	0	114.3	Y126 G436 N439 Q446	Y126-D441 WeakPolarHBondContact CE1-OD2 3.41Å; G436-D441 WeakPolarHBondContact CA-OD1 3.44Å; N439-D441 VanDerWaalsContact C-N 3.26Å; N439-D441 HydrophobicContact CB-CB 4.23Å; N439-D441 WeakPolarHBondContact CB-OD2 3.05Å; N439-D441 PolarHBondContact O-N 2.93Å; D441-Q446 PolarHBondContact O-NE2 2.71Å
442	M	96	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.			trans	-136.7	113.9	-178.4	-161.2	-82.9	-76.5	0	0	114.1	L125 Y126 Y432 H433 L435 Q446 L447	L125-M442 HydrophobicContact CD1-CE 4.09Å; L125-M442 HydrophobicContact CD1-CG 3.74Å; L125-M442 HydrophobicContact CD1-SD 3.78Å; L125-M442 HydrophobicContact CD2-CE 4.27Å; L125-M442 HydrophobicContact CG-CE 4.44Å; L125-M442 HydrophobicContact CG-CG 3.88Å; L125-M442 HydrophobicContact CG-SD 4.45Å; Y126-M442 HydrophobicContact CE1-CB 4.31Å; Y432-M442 WeakPolarHBondContact CA-O 3.35Å; H433-M442 HydrophobicContact CB-CE 3.57Å; H433-M442 HydrophobicContact CB-SD 3.85Å; H433-M442 PolarHBondContact N-O 2.77Å; H433-M442 VanDerWaalsContact ND1-CE 3.3Å; H433-M442 WeakPolarHBondContact ND1-CE 3.43Å; L435-M442 HydrophobicContact CB-CE 3.79Å; L435-M442 HydrophobicContact CD1-CE 4.45Å; M442-Q446 HydrophobicContact CG-CB 4.2Å; M442-Q446 HydrophobicContact SD-CB 4.5Å; M442-L447 HydrophobicContact SD-CB 3.93Å
443	T	98.1	Very high	96.7	Very high	23 Å²	23	34.3 Å²	34.3	14%	0.141	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-97.7	162.2	177.5	60.5	0	0	0	0	112.5	H429 R431 Y432 A445 Q446 L447	H429-T443 WeakPolarHBondContact O-CB 3.41Å; R431-T443 CarbonylContact O-C 3.53Å; R431-T443 WeakPolarHBondContact O-CA 3.45Å; R431-T443 WeakPolarHBondContact O-CB 3.45Å; Y432-T443 HydrophobicContact CD1-CG2 3.99Å; Y432-T443 HydrophobicContact CE1-CG2 3.94Å; T443-A445 PolarHBondContact O-N 2.88Å; T443-Q446 WeakPolarHBondContact O-CB 3.25Å; T443-Q446 PolarHBondContact O-N 2.92Å; T443-Q446 PolarHBondContact OG1-N 2.8Å; T443-Q446 PolarHBondContact OG1-OE1 3.11Å; T443-L447 PolarHBondContact O-N 3.46Å
444	Y	98.4	Very high	96.3	Very high	12 Å²	12	35.1 Å²	35.1	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-30.2	173.2	-69	-91.2	0	0	0	112.8	L428 R431 H433 Q446 L447 Y448 P525	L428-Y444 HydrophobicContact CB-CD1 4.37Å; L428-Y444 HydrophobicContact CB-CD2 3.87Å; L428-Y444 HydrophobicContact CB-CE2 4.45Å; L428-Y444 HydrophobicContact CB-CG 3.83Å; L428-Y444 HydrophobicContact CD1-CD1 4.11Å; L428-Y444 HydrophobicContact CD1-CE1 4.13Å; L428-Y444 HydrophobicContact CD1-CG 4.4Å; L428-Y444 HydrophobicContact CD2-CD2 4.3Å; L428-Y444 HydrophobicContact CD2-CE2 4.04Å; L428-Y444 WeakPolarHBondContact O-CD2 3.44Å; R431-Y444 HydrophobicContact CB-CD2 4.02Å; R431-Y444 HydrophobicContact CB-CE2 4.08Å; R431-Y444 VanDerWaalsContact O-CD2 3.27Å; R431-Y444 WeakPolarHBondContact O-CD2 3.45Å; R431-Y444 PolarHBondContact O-N 3.25Å; H433-Y444 HydrophobicContact CB-CE1 4.37Å; H433-Y444 HydrophobicContact CB-CE2 4.37Å; H433-Y444 AromaticContact CD2-CE1 3.78Å; Y444-Q446 VanDerWaalsContact C-N 3.3Å; Y444-Q446 PolarHBondContact O-N 3.31Å; Y444-L447 HydrophobicContact CD1-CD2 4.32Å; Y444-L447 PolarHBondContact O-N 3.03Å; Y444-Y448 HydrophobicContact CD1-CE1 4.02Å; Y444-Y448 WeakPolarHBondContact O-CB 3.39Å; Y444-Y448 VanDerWaalsContact O-CD1 3.22Å; Y444-Y448 WeakPolarHBondContact O-CD1 2.98Å; Y444-Y448 WeakPolarHBondContact O-CD2 3.38Å; Y444-Y448 PolarHBondContact O-N 3.2Å; Y444-P525 WeakPolarHBondContact OH-CA 3.13Å; Y444-P525 PolarHBondContact OH-O 2.9Å
445	A	98.4	Very high	96	Very high	27 Å²	27	39.2 Å²	39.2	22%	0.223	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-40	172.5	0	0	0	0	0	112.6	W425 H429 T443 S449	W425-A445 HydrophobicContact CH2-CB 3.72Å; W425-A445 HydrophobicContact CZ2-CB 4.45Å; W425-A445 HydrophobicContact CZ3-CB 4.29Å; H429-A445 HydrophobicContact CB-CB 4.25Å; H429-A445 VanDerWaalsContact O-CB 3.31Å; H429-A445 WeakPolarHBondContact O-CB 3.28Å; H429-A445 PolarHBondContact O-N 2.95Å; H429-A445 VanDerWaalsContact O-N 3.16Å; T443-A445 PolarHBondContact O-N 2.88Å; A445-S449 WeakPolarHBondContact O-CB 3.17Å; A445-S449 PolarHBondContact O-N 2.77Å; A445-S449 VanDerWaalsContact O-N 3.08Å
446	Q	97.8	Very high	95.8	Very high	53 Å²	53	39.7 Å²	39.7	25%	0.248	21%	0.21	C	C	.	.	H	α-helix	trans	-69.3	-46.1	175.3	-70	160.1	-93.6	0	0	111.3	D441 M442 T443 Y444 Y448 S449 F450	D441-Q446 PolarHBondContact O-NE2 2.71Å; M442-Q446 HydrophobicContact CG-CB 4.2Å; M442-Q446 HydrophobicContact SD-CB 4.5Å; T443-Q446 WeakPolarHBondContact O-CB 3.25Å; T443-Q446 PolarHBondContact O-N 2.92Å; T443-Q446 PolarHBondContact OG1-N 2.8Å; T443-Q446 PolarHBondContact OG1-OE1 3.11Å; Y444-Q446 VanDerWaalsContact C-N 3.3Å; Y444-Q446 PolarHBondContact O-N 3.31Å; Q446-Y448 VanDerWaalsContact C-N 3.32Å; Q446-Y448 PolarHBondContact O-N 3.01Å; Q446-S449 WeakPolarHBondContact O-CB 3.45Å; Q446-S449 PolarHBondContact O-N 3.23Å; Q446-F450 WeakPolarHBondContact O-CB 3.37Å; Q446-F450 PolarHBondContact O-N 3Å
447	L	97.5	Very high	95.7	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-54.7	-48.1	174.5	177.8	64.7	0	0	0	111.6	L125 H433 M442 T443 Y444 F450 L451	L125-L447 HydrophobicContact CD1-CB 4.43Å; L125-L447 HydrophobicContact CD1-CD1 4.23Å; H433-L447 VanDerWaalsContact CD2-CD2 3.44Å; H433-L447 WeakPolarHBondContact CD2-CD2 3.47Å; M442-L447 HydrophobicContact SD-CB 3.93Å; T443-L447 PolarHBondContact O-N 3.46Å; Y444-L447 HydrophobicContact CD1-CD2 4.32Å; Y444-L447 PolarHBondContact O-N 3.03Å; L447-F450 WeakPolarHBondContact O-CB 3.4Å; L447-F450 PolarHBondContact O-N 3.04Å; L447-L451 HydrophobicContact CD1-CD1 3.9Å; L447-L451 HydrophobicContact CD1-CD2 4.48Å; L447-L451 HydrophobicContact CD1-CG 3.99Å; L447-L451 HydrophobicContact CD2-CD1 4.49Å; L447-L451 HydrophobicContact CG-CD1 3.88Å; L447-L451 HydrophobicContact CG-CG 4.31Å; L447-L451 VanDerWaalsContact O-CG 3.31Å; L447-L451 WeakPolarHBondContact O-CG 3.23Å; L447-L451 PolarHBondContact O-N 3.19Å
448	Y	98.1	Very high	95.6	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-43.9	-179	-63.2	-6.5	0	0	0	111.1	W425 L428 Y444 Q446 F450 L451 N452 M463 G528	W425-Y448 AromaticContact CE3-CD2 3.77Å; W425-Y448 HydrophobicContact CE3-CD2 3.77Å; W425-Y448 HydrophobicContact CE3-CE2 4.21Å; W425-Y448 AromaticContact CZ3-CD2 3.85Å; W425-Y448 HydrophobicContact CZ3-CD2 3.85Å; L428-Y448 VanDerWaalsContact CD1-OH 3.27Å; L428-Y448 WeakPolarHBondContact CD1-OH 3.49Å; Y444-Y448 HydrophobicContact CD1-CE1 4.02Å; Y444-Y448 WeakPolarHBondContact O-CB 3.39Å; Y444-Y448 VanDerWaalsContact O-CD1 3.22Å; Y444-Y448 WeakPolarHBondContact O-CD1 2.98Å; Y444-Y448 WeakPolarHBondContact O-CD2 3.38Å; Y444-Y448 PolarHBondContact O-N 3.2Å; Q446-Y448 VanDerWaalsContact C-N 3.32Å; Q446-Y448 PolarHBondContact O-N 3.01Å; Y448-F450 VanDerWaalsContact C-N 3.33Å; Y448-F450 PolarHBondContact O-N 2.87Å; Y448-L451 PolarHBondContact O-N 3.29Å; Y448-N452 VanDerWaalsContact O-CB 3.24Å; Y448-N452 WeakPolarHBondContact O-CB 3.48Å; Y448-N452 PolarHBondContact O-N 3.33Å; Y448-N452 PolarHBondContact O-ND2 3.05Å; Y448-M463 WeakPolarHBondContact CB-O 3.07Å; Y448-M463 HydrophobicContact CD1-CB 4.15Å; Y448-M463 HydrophobicContact CD1-CE 3.53Å; Y448-M463 HydrophobicContact CD2-CB 3.88Å; Y448-M463 HydrophobicContact CE1-CB 4.48Å; Y448-M463 HydrophobicContact CE1-CE 3.34Å; Y448-M463 HydrophobicContact CE1-CG 4.41Å; Y448-M463 HydrophobicContact CE2-CB 4.22Å; Y448-M463 HydrophobicContact CE2-CG 4.4Å; Y448-M463 HydrophobicContact CG-CB 3.85Å; Y448-M463 HydrophobicContact CG-CE 4.42Å; Y448-G528 PolarHBondContact OH-O 2.95Å
449	S	97.1	Very high	95.7	Very high	75 Å²	75	33.2 Å²	33.2	52%	0.524	18%	0.18	S	C	.	.	H	α-helix	trans	-56.6	-46.2	174	-169	0	0	0	0	112	A445 Q446 C453	A445-S449 WeakPolarHBondContact O-CB 3.17Å; A445-S449 PolarHBondContact O-N 2.77Å; A445-S449 VanDerWaalsContact O-N 3.08Å; Q446-S449 WeakPolarHBondContact O-CB 3.45Å; Q446-S449 PolarHBondContact O-N 3.23Å; S449-C453 VanDerWaalsContact O-CB 3.28Å; S449-C453 WeakPolarHBondContact O-CB 3.42Å; S449-C453 PolarHBondContact O-N 3.44Å
450	F	96.1	Very high	95.7	Very high	3 Å²	3	31 Å²	31	1%	0.013	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-51.2	177.8	178.6	-118.9	0	0	0	112.5	V42 V45 C123 H124 L125 Q446 L447 Y448 N452 C453 L454	V42-F450 HydrophobicContact CB-CE1 4.49Å; V42-F450 HydrophobicContact CG2-CE1 3.89Å; V45-F450 HydrophobicContact CB-CZ 4.2Å; V45-F450 HydrophobicContact CG1-CZ 4.36Å; V45-F450 HydrophobicContact CG2-CZ 3.98Å; C123-F450 HydrophobicContact CB-CD2 4.36Å; H124-F450 WeakPolarHBondContact O-CD2 3.3Å; L125-F450 HydrophobicContact CB-CB 4.41Å; L125-F450 HydrophobicContact CB-CD1 4.06Å; L125-F450 HydrophobicContact CB-CD2 4.04Å; L125-F450 HydrophobicContact CB-CE1 4.25Å; L125-F450 HydrophobicContact CB-CE2 4.23Å; L125-F450 HydrophobicContact CB-CG 3.93Å; L125-F450 HydrophobicContact CB-CZ 4.33Å; L125-F450 HydrophobicContact CD1-CB 3.96Å; L125-F450 HydrophobicContact CD1-CD1 3.92Å; L125-F450 HydrophobicContact CD1-CG 4.08Å; L125-F450 HydrophobicContact CD2-CE1 4.48Å; L125-F450 HydrophobicContact CG-CD1 4.38Å; Q446-F450 WeakPolarHBondContact O-CB 3.37Å; Q446-F450 PolarHBondContact O-N 3Å; L447-F450 WeakPolarHBondContact O-CB 3.4Å; L447-F450 PolarHBondContact O-N 3.04Å; Y448-F450 VanDerWaalsContact C-N 3.33Å; Y448-F450 PolarHBondContact O-N 2.87Å; F450-N452 PolarHBondContact O-N 2.89Å; F450-C453 PolarHBondContact O-N 2.98Å; F450-L454 HydrophobicContact CD1-CD1 4.24Å; F450-L454 HydrophobicContact CD2-CD1 4.04Å; F450-L454 HydrophobicContact CD2-CG 4.47Å; F450-L454 HydrophobicContact CE1-CD1 3.81Å; F450-L454 HydrophobicContact CE2-CD1 3.6Å; F450-L454 HydrophobicContact CE2-CG 4.31Å; F450-L454 HydrophobicContact CG-CD1 4.36Å; F450-L454 HydrophobicContact CZ-CD1 3.47Å; F450-L454 VanDerWaalsContact CZ-CD1 3.47Å; F450-L454 WeakPolarHBondContact O-CG 3.22Å; F450-L454 PolarHBondContact O-N 2.94Å
451	L	95.3	Very high	95.8	Very high	20 Å²	20	24 Å²	24	11%	0.105	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-36.7	180	-65.1	176.6	0	0	0	112.8	V42 L447 Y448 Q455 V456 S457	V42-L451 HydrophobicContact CG1-CD2 4.43Å; V42-L451 HydrophobicContact CG2-CD2 3.73Å; L447-L451 HydrophobicContact CD1-CD1 3.9Å; L447-L451 HydrophobicContact CD1-CD2 4.48Å; L447-L451 HydrophobicContact CD1-CG 3.99Å; L447-L451 HydrophobicContact CD2-CD1 4.49Å; L447-L451 HydrophobicContact CG-CD1 3.88Å; L447-L451 HydrophobicContact CG-CG 4.31Å; L447-L451 VanDerWaalsContact O-CG 3.31Å; L447-L451 WeakPolarHBondContact O-CG 3.23Å; L447-L451 PolarHBondContact O-N 3.19Å; Y448-L451 PolarHBondContact O-N 3.29Å; L451-Q455 PolarHBondContact O-N 3.35Å; L451-Q455 VanDerWaalsContact O-N 3.13Å; L451-V456 HydrophobicContact CD2-CG2 3.95Å; L451-V456 PolarHBondContact O-N 3.13Å; L451-S457 PolarHBondContact O-N 3.16Å; L451-S457 VanDerWaalsContact O-N 3.11Å
452	N	95.2	Very high	96	Very high	19 Å²	19	22.2 Å²	22.2	10%	0.102	13%	0.127	C	C	.	.	H	α-helix	trans	-68.1	-43.3	175.8	-67	-23.8	0	0	0	111	Y448 F450 L454 Q455 S457 H460 M463	Y448-N452 VanDerWaalsContact O-CB 3.24Å; Y448-N452 WeakPolarHBondContact O-CB 3.48Å; Y448-N452 PolarHBondContact O-N 3.33Å; Y448-N452 PolarHBondContact O-ND2 3.05Å; F450-N452 PolarHBondContact O-N 2.89Å; N452-L454 VanDerWaalsContact C-N 3.33Å; N452-L454 PolarHBondContact O-N 3.4Å; N452-Q455 PolarHBondContact O-N 2.96Å; N452-S457 WeakPolarHBondContact OD1-CB 3.3Å; N452-S457 PolarHBondContact OD1-OG 2.83Å; N452-H460 PolarHBondContact ND2-CD2 3.04Å; N452-H460 VanDerWaalsContact ND2-CD2 3.3Å; N452-H460 WeakPolarHBondContact OD1-CA 3.05Å; N452-H460 PolarHBondContact OD1-CD2 2.96Å; N452-H460 VanDerWaalsContact OD1-CD2 3.31Å; N452-M463 PolarHBondContact ND2-O 3.19Å
453	C	94.2	Very high	96.1	Very high	37 Å²	37	22.2 Å²	22.2	25%	0.25	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-43	176.2	-175.9	0	0	0	0	111.8	C123 S449 F450 Q455	C123-C453 WeakPolarHBondContact CA-SG 3.23Å; C123-C453 HydrophobicContact CB-CB 3.72Å; C123-C453 WeakPolarHBondContact CB-SG 3.49Å; C123-C453 WeakPolarHBondContact SG-CB 3.39Å; C123-C453 PolarHBondContact SG-O 3.09Å; C123-C453 CovalentContact SG-SG 2.04Å; C123-C453 PolarHBondContact SG-SG 3.09Å; S449-C453 VanDerWaalsContact O-CB 3.28Å; S449-C453 WeakPolarHBondContact O-CB 3.42Å; S449-C453 PolarHBondContact O-N 3.44Å; F450-C453 PolarHBondContact O-N 2.98Å; C453-Q455 PolarHBondContact O-N 2.92Å
454	L	89.6	Confident	96	Very high	24 Å²	24	21.6 Å²	21.6	13%	0.126	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4	176.3	-67.9	178.7	0	0	0	114.2	C41 V42 C123 F450 N452 V456	C41-L454 HydrophobicContact CB-CD1 4.05Å; C41-L454 HydrophobicContact CB-CD2 4.21Å; V42-L454 HydrophobicContact CG2-CD1 3.71Å; C123-L454 HydrophobicContact CB-CD2 3.59Å; C123-L454 HydrophobicContact CB-CG 3.83Å; F450-L454 HydrophobicContact CD1-CD1 4.24Å; F450-L454 HydrophobicContact CD2-CD1 4.04Å; F450-L454 HydrophobicContact CD2-CG 4.47Å; F450-L454 HydrophobicContact CE1-CD1 3.81Å; F450-L454 HydrophobicContact CE2-CD1 3.6Å; F450-L454 HydrophobicContact CE2-CG 4.31Å; F450-L454 HydrophobicContact CG-CD1 4.36Å; F450-L454 HydrophobicContact CZ-CD1 3.47Å; F450-L454 VanDerWaalsContact CZ-CD1 3.47Å; F450-L454 WeakPolarHBondContact O-CG 3.22Å; F450-L454 PolarHBondContact O-N 2.94Å; N452-L454 VanDerWaalsContact C-N 3.33Å; N452-L454 PolarHBondContact O-N 3.4Å; L454-V456 HydrophobicContact CB-CG2 3.76Å; L454-V456 PolarHBondContact O-N 3.06Å
455	Q	92.2	Very high	96	Very high	90 Å²	90	25.3 Å²	25.3	42%	0.421	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	33.3	-176.3	-61.3	179.6	57	0	0	114.6	G378 L451 N452 C453	G378-Q455 CarbonylContact O-C 3.6Å; G378-Q455 WeakPolarHBondContact O-CA 3.16Å; G378-Q455 WeakPolarHBondContact O-CB 3.34Å; L451-Q455 PolarHBondContact O-N 3.35Å; L451-Q455 VanDerWaalsContact O-N 3.13Å; N452-Q455 PolarHBondContact O-N 2.96Å; C453-Q455 PolarHBondContact O-N 2.92Å
456	V	90.3	Very high	96	Very high	16 Å²	16	28 Å²	28	10%	0.097	16%	0.161	C	C	.	.			trans	-120.2	6.2	178.7	-65.1	0	0	0	0	113.3	H39 V42 L451 L454	H39-V456 HydrophobicContact CB-CG1 4.43Å; V42-V456 HydrophobicContact CG2-CG2 3.85Å; L451-V456 HydrophobicContact CD2-CG2 3.95Å; L451-V456 PolarHBondContact O-N 3.13Å; L454-V456 HydrophobicContact CB-CG2 3.76Å; L454-V456 PolarHBondContact O-N 3.06Å
457	S	94.8	Very high	96	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	18%	0.18	C	C	.	.			trans	-57.2	131.4	170.7	-176.3	0	0	0	0	111	G378 L451 N452 C459 H460	G378-S457 WeakPolarHBondContact CA-O 3.36Å; G378-S457 PolarHBondContact N-O 3.17Å; L451-S457 PolarHBondContact O-N 3.16Å; L451-S457 VanDerWaalsContact O-N 3.11Å; N452-S457 WeakPolarHBondContact OD1-CB 3.3Å; N452-S457 PolarHBondContact OD1-OG 2.83Å; S457-C459 PolarHBondContact O-N 3.06Å; S457-H460 PolarHBondContact OG-N 3.24Å
458	P	94.3	Very high	96.1	Very high	23 Å²	23	36.4 Å²	36.4	15%	0.149	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-27.9	177.8	26.9	-31.8	0	0	0	111.2	C376 M463 F529	C376-P458 WeakPolarHBondContact CB-O 3.47Å; P458-M463 HydrophobicContact CG-CE 4.04Å; P458-M463 HydrophobicContact CG-SD 3.68Å; P458-F529 HydrophobicContact CB-CD1 4.18Å; P458-F529 HydrophobicContact CB-CE1 4.4Å; P458-F529 HydrophobicContact CG-CB 4.34Å; P458-F529 HydrophobicContact CG-CD1 4.17Å; P458-F529 HydrophobicContact CG-CG 4.2Å
459	C	97.7	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.2	77.3	177.8	-161.6	0	0	0	0	113.4	C376 S457 G461 W462 M463 F529	C376-C459 WeakPolarHBondContact CA-SG 3.44Å; C376-C459 HydrophobicContact CB-CB 3.51Å; C376-C459 WeakPolarHBondContact CB-SG 3.18Å; C376-C459 WeakPolarHBondContact SG-CB 3.36Å; C376-C459 CovalentContact SG-SG 2.04Å; C376-C459 PolarHBondContact SG-SG 3.31Å; S457-C459 PolarHBondContact O-N 3.06Å; C459-G461 PolarHBondContact O-N 3.49Å; C459-G461 VanDerWaalsContact O-N 3.09Å; C459-W462 PolarHBondContact O-N 2.89Å; C459-M463 HydrophobicContact CB-CG 4.49Å; C459-M463 HydrophobicContact CB-SD 4.11Å; C459-M463 VanDerWaalsContact O-CB 3.3Å; C459-M463 WeakPolarHBondContact O-CB 3.44Å; C459-M463 PolarHBondContact O-N 2.81Å; C459-F529 HydrophobicContact CB-CD2 3.86Å; C459-F529 HydrophobicContact CB-CE2 3.3Å; C459-F529 HydrophobicContact CB-CZ 3.8Å
460	H	97.6	Very high	96.2	Very high	25 Å²	25	34.3 Å²	34.3	12%	0.116	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.7	176.6	-176.8	-163	0	0	0	112.7	S377 K379 S380 P382 N452 S457 W462 S464	S377-H460 VanDerWaalsContact O-CB 3.23Å; S377-H460 WeakPolarHBondContact O-CB 3.16Å; S377-H460 PolarHBondContact O-N 2.99Å; K379-H460 PolarHBondContact O-ND1 3.39Å; S380-H460 PolarHBondContact O-CE1 2.92Å; S380-H460 PolarHBondContact O-ND1 3.41Å; P382-H460 HydrophobicContact CG-CB 4.34Å; N452-H460 PolarHBondContact ND2-CD2 3.04Å; N452-H460 VanDerWaalsContact ND2-CD2 3.3Å; N452-H460 WeakPolarHBondContact OD1-CA 3.05Å; N452-H460 PolarHBondContact OD1-CD2 2.96Å; N452-H460 VanDerWaalsContact OD1-CD2 3.31Å; S457-H460 PolarHBondContact OG-N 3.24Å; H460-W462 PolarHBondContact O-N 2.92Å; H460-S464 VanDerWaalsContact O-CB 3.23Å; H460-S464 WeakPolarHBondContact O-CB 3.12Å
461	G	98.1	Very high	96.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-52	176.6	0	0	0	0	0	114.4	C459 L469 R470 T473	C459-G461 PolarHBondContact O-N 3.49Å; C459-G461 VanDerWaalsContact O-N 3.09Å; G461-L469 CarbonylContact O-C 3.56Å; G461-R470 WeakPolarHBondContact O-CA 3.28Å; G461-R470 PolarHBondContact O-N 2.87Å; G461-T473 VanDerWaalsContact C-OG1 3.28Å; G461-T473 WeakPolarHBondContact CA-OG1 3.28Å; G461-T473 PolarHBondContact O-OG1 3.02Å
462	W	98.5	Very high	96.4	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.015	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-33.7	-179.7	-71.1	-45.1	0	0	0	113.7	V375 C376 P419 C459 H460 S464 R470 T473 S474 A477 F529	V375-W462 HydrophobicContact CG2-CH2 3.54Å; V375-W462 HydrophobicContact CG2-CZ2 3.87Å; V375-W462 HydrophobicContact CG2-CZ3 3.92Å; C376-W462 VanDerWaalsContact SG-CE3 3.57Å; P419-W462 HydrophobicContact CG-CH2 3.99Å; P419-W462 HydrophobicContact CG-CZ3 4.33Å; P419-W462 WeakPolarHBondContact O-CH2 3.39Å; P419-W462 WeakPolarHBondContact O-CZ2 3.4Å; C459-W462 PolarHBondContact O-N 2.89Å; H460-W462 PolarHBondContact O-N 2.92Å; W462-S464 PolarHBondContact O-N 3.22Å; W462-R470 WeakPolarHBondContact O-CD 3.32Å; W462-T473 HydrophobicContact CD2-CG2 3.8Å; W462-T473 HydrophobicContact CG-CG2 3.9Å; W462-T473 HydrophobicContact CZ2-CG2 4.18Å; W462-S474 PolarHBondContact NE1-OG 3.13Å; W462-A477 HydrophobicContact CH2-CB 4.29Å; W462-A477 HydrophobicContact CZ2-CB 3.82Å; W462-F529 HydrophobicContact CE3-CE2 4.28Å
463	M	98	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-85.7	58.4	-179.8	-59.1	165.6	78	0	0	110.2	Y448 N452 P458 C459 D527 F529	Y448-M463 WeakPolarHBondContact CB-O 3.07Å; Y448-M463 HydrophobicContact CD1-CB 4.15Å; Y448-M463 HydrophobicContact CD1-CE 3.53Å; Y448-M463 HydrophobicContact CD2-CB 3.88Å; Y448-M463 HydrophobicContact CE1-CB 4.48Å; Y448-M463 HydrophobicContact CE1-CE 3.34Å; Y448-M463 HydrophobicContact CE1-CG 4.41Å; Y448-M463 HydrophobicContact CE2-CB 4.22Å; Y448-M463 HydrophobicContact CE2-CG 4.4Å; Y448-M463 HydrophobicContact CG-CB 3.85Å; Y448-M463 HydrophobicContact CG-CE 4.42Å; N452-M463 PolarHBondContact ND2-O 3.19Å; P458-M463 HydrophobicContact CG-CE 4.04Å; P458-M463 HydrophobicContact CG-SD 3.68Å; C459-M463 HydrophobicContact CB-CG 4.49Å; C459-M463 HydrophobicContact CB-SD 4.11Å; C459-M463 VanDerWaalsContact O-CB 3.3Å; C459-M463 WeakPolarHBondContact O-CB 3.44Å; C459-M463 PolarHBondContact O-N 2.81Å; M463-D527 VanDerWaalsContact CE-O 3.27Å; M463-D527 WeakPolarHBondContact CE-O 3.37Å; M463-F529 HydrophobicContact CE-CB 4.02Å; M463-F529 HydrophobicContact CG-CD2 4.27Å; M463-F529 HydrophobicContact SD-CB 3.79Å; M463-F529 HydrophobicContact SD-CD2 3.64Å; M463-F529 HydrophobicContact SD-CG 3.9Å
464	S	97.7	Very high	96.8	Very high	9 Å²	9	37.5 Å²	37.5	6%	0.063	20%	0.204	C	C	.	.	S	Bend	trans	-144.7	144.1	-177.9	-177.7	0	0	0	0	112.1	W425 H460 W462 N466 R470	W425-S464 VanDerWaalsContact CE3-C 3.41Å; W425-S464 VanDerWaalsContact CE3-O 3.28Å; H460-S464 VanDerWaalsContact O-CB 3.23Å; H460-S464 WeakPolarHBondContact O-CB 3.12Å; W462-S464 PolarHBondContact O-N 3.22Å; S464-N466 PolarHBondContact O-N 2.79Å; S464-N466 PolarHBondContact OG-N 3.25Å; S464-R470 VanDerWaalsContact O-CD 3.29Å; S464-R470 WeakPolarHBondContact O-CD 3.27Å; S464-R470 PolarHBondContact O-NH1 2.78Å
465	S	97.9	Very high	97.2	Very high	91 Å²	91	40.6 Å²	40.6	64%	0.636	22%	0.218	S	C	*	.	S	Bend	trans	-65.1	-26.3	173.8	54.7	0	0	0	0	112.4	W425 K467 R470	W425-S465 VanDerWaalsContact CH2-CA 3.43Å; W425-S465 VanDerWaalsContact CH2-CB 3.5Å; S465-K467 PolarHBondContact O-N 2.78Å; S465-R470 PolarHBondContact O-NH1 3.44Å
466	N	98.3	Very high	97.5	Very high	82 Å²	82	38.5 Å²	38.5	44%	0.439	21%	0.206	S	C	.	.			trans	-66.6	101	177.8	-176.8	-16.9	0	0	0	111	S464 T468 L469 R470	S464-N466 PolarHBondContact O-N 2.79Å; S464-N466 PolarHBondContact OG-N 3.25Å; N466-T468 VanDerWaalsContact C-N 3.31Å; N466-T468 PolarHBondContact O-N 3.11Å; N466-T468 WeakPolarHBondContact OD1-CB 3.41Å; N466-T468 PolarHBondContact OD1-N 2.84Å; N466-T468 VanDerWaalsContact OD1-N 3.1Å; N466-L469 HydrophobicContact CB-CB 3.95Å; N466-L469 WeakPolarHBondContact O-CB 3.32Å; N466-L469 PolarHBondContact O-N 2.7Å; N466-L469 PolarHBondContact OD1-N 3.5Å; N466-L469 VanDerWaalsContact OD1-N 3.15Å; N466-R470 PolarHBondContact O-N 3.14Å
467	K	98.3	Very high	97.9	Very high	149 Å²	149	37.8 Å²	37.8	65%	0.648	20%	0.202	S	C	*	.	H	α-helix	trans	-58.8	-40.7	-179.6	-171.3	178.6	-178.6	-179	0	112.2	S465 L469 R470 T471	S465-K467 PolarHBondContact O-N 2.78Å; K467-L469 VanDerWaalsContact C-N 3.29Å; K467-L469 PolarHBondContact O-N 2.83Å; K467-R470 PolarHBondContact O-N 2.93Å; K467-R470 VanDerWaalsContact O-N 3.16Å; K467-T471 PolarHBondContact O-N 2.76Å; K467-T471 PolarHBondContact O-OG1 2.05Å
468	T	98.4	Very high	98.1	Very high	94 Å²	94	43.7 Å²	43.7	58%	0.577	23%	0.23	S	C	*	.	H	α-helix	trans	-59.9	-40.9	178.2	-50	0	0	0	0	111.4	N466 T471 L472	N466-T468 VanDerWaalsContact C-N 3.31Å; N466-T468 PolarHBondContact O-N 3.11Å; N466-T468 WeakPolarHBondContact OD1-CB 3.41Å; N466-T468 PolarHBondContact OD1-N 2.84Å; N466-T468 VanDerWaalsContact OD1-N 3.1Å; T468-T471 PolarHBondContact O-N 3.24Å; T468-L472 HydrophobicContact CG2-CD1 4.24Å; T468-L472 WeakPolarHBondContact O-CG 3.29Å; T468-L472 PolarHBondContact O-N 2.77Å
469	L	98.5	Very high	98.3	Very high	18 Å²	18	46.8 Å²	46.8	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-41.9	176.1	-173.7	62.6	0	0	0	112.1	P382 V383 G461 N466 K467 T471 L472 T473	P382-L469 HydrophobicContact CG-CD1 3.94Å; P382-L469 HydrophobicContact CG-CD2 4.19Å; V383-L469 HydrophobicContact CG2-CD1 3.63Å; G461-L469 CarbonylContact O-C 3.56Å; N466-L469 HydrophobicContact CB-CB 3.95Å; N466-L469 WeakPolarHBondContact O-CB 3.32Å; N466-L469 PolarHBondContact O-N 2.7Å; N466-L469 PolarHBondContact OD1-N 3.5Å; N466-L469 VanDerWaalsContact OD1-N 3.15Å; K467-L469 VanDerWaalsContact C-N 3.29Å; K467-L469 PolarHBondContact O-N 2.83Å; L469-T471 VanDerWaalsContact C-N 3.33Å; L469-T471 PolarHBondContact O-N 3.04Å; L469-L472 PolarHBondContact O-N 3.4Å; L469-T473 WeakPolarHBondContact O-CB 3.28Å; L469-T473 PolarHBondContact O-N 3.18Å; L469-T473 PolarHBondContact O-OG1 3.4Å
470	R	98.5	Very high	98.3	Very high	15 Å²	15	46.8 Å²	46.8	6%	0.057	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-40.3	175.1	-58.4	-159.6	-59.3	-79	7.7	112	T422 W425 D426 G461 W462 S464 S465 N466 K467 S474	T422-R470 HydrophobicContact CG2-CB 4.26Å; W425-R470 VanDerWaalsContact CB-CD 3.49Å; W425-R470 VanDerWaalsContact CG-CZ 3.47Å; D426-R470 IonicContact OD1-NH2 2.74Å; G461-R470 WeakPolarHBondContact O-CA 3.28Å; G461-R470 PolarHBondContact O-N 2.87Å; W462-R470 WeakPolarHBondContact O-CD 3.32Å; S464-R470 VanDerWaalsContact O-CD 3.29Å; S464-R470 WeakPolarHBondContact O-CD 3.27Å; S464-R470 PolarHBondContact O-NH1 2.78Å; S465-R470 PolarHBondContact O-NH1 3.44Å; N466-R470 PolarHBondContact O-N 3.14Å; K467-R470 PolarHBondContact O-N 2.93Å; K467-R470 VanDerWaalsContact O-N 3.16Å; R470-S474 PolarHBondContact O-N 3.49Å; R470-S474 PolarHBondContact O-OG 2.88Å
471	T	98.4	Very high	98.4	Very high	57 Å²	57	46 Å²	46	35%	0.35	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-54.4	175.2	-60.4	0	0	0	0	111.1	K467 T468 L469 T473 S474 E475	K467-T471 PolarHBondContact O-N 2.76Å; K467-T471 PolarHBondContact O-OG1 2.05Å; T468-T471 PolarHBondContact O-N 3.24Å; L469-T471 VanDerWaalsContact C-N 3.33Å; L469-T471 PolarHBondContact O-N 3.04Å; T471-T473 VanDerWaalsContact C-N 3.26Å; T471-T473 PolarHBondContact O-N 3.07Å; T471-S474 WeakPolarHBondContact O-CA 3.42Å; T471-S474 PolarHBondContact O-N 2.7Å; T471-E475 HydrophobicContact CG2-CG 4.26Å; T471-E475 VanDerWaalsContact CG2-OE1 3.22Å; T471-E475 WeakPolarHBondContact CG2-OE1 3.24Å; T471-E475 WeakPolarHBondContact O-CG 3.06Å; T471-E475 PolarHBondContact O-N 3.43Å
472	L	98.6	Very high	98.4	Very high	73 Å²	73	49.2 Å²	49.2	38%	0.382	26%	0.257	S	S	.	.	H	α-helix	trans	-56.2	-38.1	178.6	-71.3	168.8	0	0	0	113.1	T468 L469 S474 R476	T468-L472 HydrophobicContact CG2-CD1 4.24Å; T468-L472 WeakPolarHBondContact O-CG 3.29Å; T468-L472 PolarHBondContact O-N 2.77Å; L469-L472 PolarHBondContact O-N 3.4Å; L472-S474 VanDerWaalsContact C-N 3.32Å; L472-R476 PolarHBondContact O-N 3.01Å
473	T	98.6	Very high	98.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-39.1	176.1	-52.8	0	0	0	0	111.5	V375 M386 G461 W462 L469 T471 A477	V375-T473 HydrophobicContact CB-CG2 4.02Å; V375-T473 HydrophobicContact CG2-CG2 3.93Å; M386-T473 HydrophobicContact CE-CG2 3.86Å; M386-T473 WeakPolarHBondContact CE-OG1 3.37Å; G461-T473 VanDerWaalsContact C-OG1 3.28Å; G461-T473 WeakPolarHBondContact CA-OG1 3.28Å; G461-T473 PolarHBondContact O-OG1 3.02Å; W462-T473 HydrophobicContact CD2-CG2 3.8Å; W462-T473 HydrophobicContact CG-CG2 3.9Å; W462-T473 HydrophobicContact CZ2-CG2 4.18Å; L469-T473 WeakPolarHBondContact O-CB 3.28Å; L469-T473 PolarHBondContact O-N 3.18Å; L469-T473 PolarHBondContact O-OG1 3.4Å; T471-T473 VanDerWaalsContact C-N 3.26Å; T471-T473 PolarHBondContact O-N 3.07Å; T473-A477 PolarHBondContact O-N 2.86Å
474	S	98.2	Very high	98.4	Very high	16 Å²	16	49.8 Å²	49.8	11%	0.112	26%	0.26	C	S	.	.	H	α-helix	trans	-78.4	-38.9	-177.8	-48.3	0	0	0	0	111.9	D420 T422 W462 R470 T471 L472 R476 A477 E478	D420-S474 PolarHBondContact OD1-OG 2.82Å; T422-S474 WeakPolarHBondContact CG2-OG 3.21Å; W462-S474 PolarHBondContact NE1-OG 3.13Å; R470-S474 PolarHBondContact O-N 3.49Å; R470-S474 PolarHBondContact O-OG 2.88Å; T471-S474 WeakPolarHBondContact O-CA 3.42Å; T471-S474 PolarHBondContact O-N 2.7Å; L472-S474 VanDerWaalsContact C-N 3.32Å; S474-R476 VanDerWaalsContact C-N 3.3Å; S474-R476 PolarHBondContact O-N 3.39Å; S474-A477 WeakPolarHBondContact O-CB 3.43Å; S474-A477 PolarHBondContact O-N 2.76Å; S474-A477 VanDerWaalsContact O-N 3.13Å; S474-E478 PolarHBondContact O-N 2.82Å
475	E	98.5	Very high	98.4	Very high	89 Å²	89	53.6 Å²	53.6	42%	0.416	28%	0.276	S	S	.	.	H	α-helix	trans	-57	-43.7	169.1	-71.3	171.7	-176	0	0	111.1	T471 E478 Q479	T471-E475 HydrophobicContact CG2-CG 4.26Å; T471-E475 VanDerWaalsContact CG2-OE1 3.22Å; T471-E475 WeakPolarHBondContact CG2-OE1 3.24Å; T471-E475 WeakPolarHBondContact O-CG 3.06Å; T471-E475 PolarHBondContact O-N 3.43Å; E475-E478 PolarHBondContact O-N 3.14Å; E475-Q479 VanDerWaalsContact O-CG 3.26Å; E475-Q479 WeakPolarHBondContact O-CG 3.3Å; E475-Q479 PolarHBondContact O-N 2.83Å
476	R	98.7	Very high	98.4	Very high	45 Å²	45	56.2 Å²	56.2	17%	0.17	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-43.8	173.6	-178.5	59.5	66.3	73.8	14.8	111.5	V375 M386 T387 L472 S474 E478 Q479 L480	V375-R476 HydrophobicContact CG1-CB 4.1Å; V375-R476 HydrophobicContact CG1-CG 3.68Å; M386-R476 HydrophobicContact CB-CG 4.12Å; M386-R476 PolarHBondContact O-NH1 3.01Å; M386-R476 HydrophobicContact SD-CB 3.92Å; M386-R476 HydrophobicContact SD-CG 4.03Å; T387-R476 WeakPolarHBondContact O-CD 3.26Å; T387-R476 PolarHBondContact O-NH1 3.39Å; L472-R476 PolarHBondContact O-N 3.01Å; S474-R476 VanDerWaalsContact C-N 3.3Å; S474-R476 PolarHBondContact O-N 3.39Å; R476-E478 VanDerWaalsContact C-N 3.28Å; R476-E478 PolarHBondContact O-N 2.87Å; R476-Q479 WeakPolarHBondContact O-CB 3.33Å; R476-Q479 PolarHBondContact O-N 3.19Å; R476-Q479 VanDerWaalsContact O-N 3.16Å; R476-L480 HydrophobicContact CG-CD1 4.35Å; R476-L480 HydrophobicContact CG-CG 4.29Å; R476-L480 WeakPolarHBondContact O-CG 3.17Å; R476-L480 PolarHBondContact O-N 3.24Å
477	A	98.5	Very high	98.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-41.8	177.5	0	0	0	0	0	111.6	V375 L418 W462 T473 S474 L480 S481	V375-A477 HydrophobicContact CG1-CB 4.3Å; V375-A477 HydrophobicContact CG2-CB 4.46Å; L418-A477 HydrophobicContact CB-CB 3.92Å; L418-A477 HydrophobicContact CD2-CB 4.25Å; W462-A477 HydrophobicContact CH2-CB 4.29Å; W462-A477 HydrophobicContact CZ2-CB 3.82Å; T473-A477 PolarHBondContact O-N 2.86Å; S474-A477 WeakPolarHBondContact O-CB 3.43Å; S474-A477 PolarHBondContact O-N 2.76Å; S474-A477 VanDerWaalsContact O-N 3.13Å; A477-L480 PolarHBondContact O-N 2.97Å; A477-S481 WeakPolarHBondContact O-CB 3.41Å; A477-S481 PolarHBondContact O-N 3.46Å; A477-S481 PolarHBondContact O-OG 2.85Å
478	E	98.1	Very high	98.3	Very high	126 Å²	126	46.1 Å²	46.1	59%	0.589	23%	0.232	S	C	*	.	H	α-helix	trans	-63.9	-43.5	173.7	-177.4	178.1	-167.8	0	0	112.6	S474 E475 R476 L480 S481 N482	S474-E478 PolarHBondContact O-N 2.82Å; E475-E478 PolarHBondContact O-N 3.14Å; R476-E478 VanDerWaalsContact C-N 3.28Å; R476-E478 PolarHBondContact O-N 2.87Å; E478-L480 VanDerWaalsContact C-N 3.3Å; E478-L480 PolarHBondContact O-N 3.41Å; E478-S481 PolarHBondContact O-N 3.43Å; E478-N482 WeakPolarHBondContact CG-ND2 3.25Å; E478-N482 WeakPolarHBondContact O-CB 3.44Å; E478-N482 PolarHBondContact O-N 3.18Å; E478-N482 PolarHBondContact O-ND2 3.3Å
479	Q	98.7	Very high	98.1	Very high	89 Å²	89	45.9 Å²	45.9	42%	0.416	24%	0.239	S	C	.	.	H	α-helix	trans	-59	-40.7	174.7	-70.5	164.7	6	0	0	112.2	P389 E475 R476 T483	P389-Q479 HydrophobicContact CG-CB 4.19Å; E475-Q479 VanDerWaalsContact O-CG 3.26Å; E475-Q479 WeakPolarHBondContact O-CG 3.3Å; E475-Q479 PolarHBondContact O-N 2.83Å; R476-Q479 WeakPolarHBondContact O-CB 3.33Å; R476-Q479 PolarHBondContact O-N 3.19Å; R476-Q479 VanDerWaalsContact O-N 3.16Å; Q479-T483 PolarHBondContact O-N 3.49Å; Q479-T483 VanDerWaalsContact O-N 3.13Å; Q479-T483 PolarHBondContact O-OG1 3.3Å
480	L	98.8	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.9	-44	177	-63.1	-171.3	0	0	0	111.5	D374 V375 P389 L392 L418 R476 A477 E478 N482 T483 L484	D374-L480 HydrophobicContact CB-CD1 3.83Å; V375-L480 HydrophobicContact CG1-CD1 3.88Å; P389-L480 HydrophobicContact CG-CD2 4.36Å; L392-L480 HydrophobicContact CB-CD2 3.96Å; L392-L480 HydrophobicContact CD1-CD1 4.46Å; L392-L480 HydrophobicContact CD2-CB 3.85Å; L392-L480 HydrophobicContact CD2-CD2 4.04Å; L392-L480 HydrophobicContact CD2-CG 4.43Å; L392-L480 WeakPolarHBondContact CD2-O 3.15Å; L392-L480 HydrophobicContact CG-CD2 4.4Å; L418-L480 HydrophobicContact CD1-CB 4.15Å; L418-L480 HydrophobicContact CD2-CB 4.35Å; L418-L480 HydrophobicContact CD2-CD1 4.05Å; R476-L480 HydrophobicContact CG-CD1 4.35Å; R476-L480 HydrophobicContact CG-CG 4.29Å; R476-L480 WeakPolarHBondContact O-CG 3.17Å; R476-L480 PolarHBondContact O-N 3.24Å; A477-L480 PolarHBondContact O-N 2.97Å; E478-L480 VanDerWaalsContact C-N 3.3Å; E478-L480 PolarHBondContact O-N 3.41Å; L480-N482 PolarHBondContact O-N 2.85Å; L480-T483 WeakPolarHBondContact O-CA 2.78Å; L480-T483 VanDerWaalsContact O-CB 3.32Å; L480-T483 WeakPolarHBondContact O-CB 3.36Å; L480-T483 PolarHBondContact O-N 3.11Å; L480-L484 PolarHBondContact O-N 3.33Å
481	S	98.4	Very high	98	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-56.9	-46	173.1	-65.1	0	0	0	0	112.2	G417 L418 A477 E478 T483 L484 K485 Y500	G417-S481 WeakPolarHBondContact CA-OG 3.48Å; L418-S481 PolarHBondContact N-OG 3.06Å; L418-S481 PolarHBondContact O-OG 2.76Å; A477-S481 WeakPolarHBondContact O-CB 3.41Å; A477-S481 PolarHBondContact O-N 3.46Å; A477-S481 PolarHBondContact O-OG 2.85Å; E478-S481 PolarHBondContact O-N 3.43Å; S481-T483 PolarHBondContact O-N 2.93Å; S481-L484 PolarHBondContact O-N 3.27Å; S481-K485 WeakPolarHBondContact O-CB 3.34Å; S481-K485 PolarHBondContact O-N 3.46Å; S481-Y500 WeakPolarHBondContact O-CE2 3.49Å
482	N	98.5	Very high	97.9	Very high	66 Å²	66	56.7 Å²	56.7	35%	0.353	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-28.4	175.3	-80.9	-51.1	0	0	0	113.1	E478 L480 K486	E478-N482 WeakPolarHBondContact CG-ND2 3.25Å; E478-N482 WeakPolarHBondContact O-CB 3.44Å; E478-N482 PolarHBondContact O-N 3.18Å; E478-N482 PolarHBondContact O-ND2 3.3Å; L480-N482 PolarHBondContact O-N 2.85Å; N482-K486 VanDerWaalsContact O-CG 3.28Å; N482-K486 WeakPolarHBondContact O-CG 3.46Å; N482-K486 PolarHBondContact O-N 3.38Å; N482-K486 VanDerWaalsContact O-N 3.07Å
483	T	98.8	Very high	97.8	Very high	15 Å²	15	55 Å²	55	9%	0.092	28%	0.28	C	S	.	.	H	α-helix	trans	-70.9	-44.8	173.4	-59.5	0	0	0	0	111.3	L392 Q479 L480 S481 K485 K486 I487	L392-T483 HydrophobicContact CD2-CG2 4.09Å; Q479-T483 PolarHBondContact O-N 3.49Å; Q479-T483 VanDerWaalsContact O-N 3.13Å; Q479-T483 PolarHBondContact O-OG1 3.3Å; L480-T483 WeakPolarHBondContact O-CA 2.78Å; L480-T483 VanDerWaalsContact O-CB 3.32Å; L480-T483 WeakPolarHBondContact O-CB 3.36Å; L480-T483 PolarHBondContact O-N 3.11Å; S481-T483 PolarHBondContact O-N 2.93Å; T483-K485 VanDerWaalsContact C-N 3.3Å; T483-K485 PolarHBondContact O-N 3.08Å; T483-K486 PolarHBondContact O-N 2.69Å; T483-I487 HydrophobicContact CG2-CD1 4.15Å; T483-I487 VanDerWaalsContact O-CG1 3.32Å; T483-I487 WeakPolarHBondContact O-CG1 3.28Å; T483-I487 PolarHBondContact O-N 2.79Å
484	L	98.4	Very high	97.8	Very high	1 Å²	1	60 Å²	60	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-40.9	173.7	-62.7	172.8	0	0	0	111.7	Y368 L392 V396 L415 Y416 L418 L480 S481 K486 I487 A488 Y500	Y368-L484 HydrophobicContact CE1-CD2 4.23Å; L392-L484 HydrophobicContact CD2-CD2 3.96Å; L392-L484 HydrophobicContact CD2-CG 3.89Å; V396-L484 HydrophobicContact CG1-CD2 4.21Å; V396-L484 HydrophobicContact CG2-CD2 3.72Å; L415-L484 HydrophobicContact CB-CB 4.24Å; L415-L484 HydrophobicContact CD1-CB 4.33Å; L415-L484 HydrophobicContact CD1-CD2 4.19Å; Y416-L484 WeakPolarHBondContact O-CD1 3.38Å; L418-L484 HydrophobicContact CD1-CD1 4.17Å; L480-L484 PolarHBondContact O-N 3.33Å; S481-L484 PolarHBondContact O-N 3.27Å; L484-K486 PolarHBondContact O-N 2.75Å; L484-I487 PolarHBondContact O-N 3.48Å; L484-A488 PolarHBondContact O-N 2.71Å; L484-Y500 HydrophobicContact CB-CD2 3.79Å; L484-Y500 HydrophobicContact CB-CE2 3.83Å
485	K	97.6	Very high	97.7	Very high	89 Å²	89	60 Å²	60	39%	0.387	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-41.2	175.9	-164.9	165.7	-163.6	152.7	0	112.6	S481 T483 A489 Y500 D502	S481-K485 WeakPolarHBondContact O-CB 3.34Å; S481-K485 PolarHBondContact O-N 3.46Å; T483-K485 VanDerWaalsContact C-N 3.3Å; T483-K485 PolarHBondContact O-N 3.08Å; K485-A489 PolarHBondContact O-N 3.13Å; K485-Y500 HydrophobicContact CB-CD1 3.79Å; K485-Y500 HydrophobicContact CB-CD2 4.02Å; K485-Y500 HydrophobicContact CB-CE1 3.81Å; K485-Y500 HydrophobicContact CB-CE2 4.03Å; K485-Y500 HydrophobicContact CB-CG 3.89Å; K485-Y500 HydrophobicContact CD-CD1 3.88Å; K485-Y500 HydrophobicContact CD-CE1 3.54Å; K485-Y500 HydrophobicContact CG-CD1 3.54Å; K485-Y500 HydrophobicContact CG-CE1 3.7Å; K485-Y500 HydrophobicContact CG-CG 4.06Å; K485-D502 IonicContact NZ-OD1 3.51Å; K485-D502 IonicContact NZ-OD2 2.75Å; K485-D502 PolarHBondContact NZ-OD2 3.1Å
486	K	98.4	Very high	97.6	Very high	146 Å²	146	56.1 Å²	56.1	64%	0.635	29%	0.292	S	S	*	.	H	α-helix	trans	-64.3	-49	173.8	-73.9	167.8	-176.3	178.1	0	111.6	N482 T483 L484 A488 A489 S490	N482-K486 VanDerWaalsContact O-CG 3.28Å; N482-K486 WeakPolarHBondContact O-CG 3.46Å; N482-K486 PolarHBondContact O-N 3.38Å; N482-K486 VanDerWaalsContact O-N 3.07Å; T483-K486 PolarHBondContact O-N 2.69Å; L484-K486 PolarHBondContact O-N 2.75Å; K486-A488 VanDerWaalsContact C-N 3.32Å; K486-A488 PolarHBondContact O-N 3.07Å; K486-A489 PolarHBondContact O-N 2.98Å; K486-S490 PolarHBondContact O-N 3.44Å; K486-S490 PolarHBondContact O-OG 2.98Å
487	I	98.5	Very high	97.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-54.7	-48	178.7	-68.2	165.6	0	0	0	110.9	Y393 V396 M397 L400 L415 T483 L484 A489 S490 E491 L498	Y393-I487 HydrophobicContact CD2-CD1 3.72Å; Y393-I487 HydrophobicContact CD2-CG1 3.51Å; Y393-I487 HydrophobicContact CE2-CD1 4.37Å; Y393-I487 HydrophobicContact CE2-CG1 3.76Å; Y393-I487 HydrophobicContact CG-CD1 4.43Å; V396-I487 HydrophobicContact CB-CD1 4.01Å; V396-I487 HydrophobicContact CG1-CD1 3.83Å; V396-I487 HydrophobicContact CG1-CG2 4.3Å; M397-I487 HydrophobicContact SD-CG2 4.06Å; L400-I487 HydrophobicContact CD1-CG2 3.63Å; L415-I487 HydrophobicContact CD1-CB 4.25Å; L415-I487 HydrophobicContact CD1-CG2 3.96Å; T483-I487 HydrophobicContact CG2-CD1 4.15Å; T483-I487 VanDerWaalsContact O-CG1 3.32Å; T483-I487 WeakPolarHBondContact O-CG1 3.28Å; T483-I487 PolarHBondContact O-N 2.79Å; L484-I487 PolarHBondContact O-N 3.48Å; I487-A489 PolarHBondContact O-N 2.92Å; I487-S490 PolarHBondContact O-N 3.07Å; I487-E491 HydrophobicContact CG2-CB 4.44Å; I487-E491 HydrophobicContact CG2-CG 3.96Å; I487-E491 VanDerWaalsContact O-CB 3.31Å; I487-E491 WeakPolarHBondContact O-CB 3.42Å; I487-E491 WeakPolarHBondContact O-CG 3.31Å; I487-E491 PolarHBondContact O-N 3.33Å; I487-L498 HydrophobicContact CG2-CD2 4.14Å
488	A	95.3	Very high	97.2	Very high	19 Å²	19	57.8 Å²	57.8	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-21	179.1	0	0	0	0	0	114.5	L415 L484 K486 L498	L415-A488 HydrophobicContact CD1-CB 4.38Å; L484-A488 PolarHBondContact O-N 2.71Å; K486-A488 VanDerWaalsContact C-N 3.32Å; K486-A488 PolarHBondContact O-N 3.07Å; A488-L498 HydrophobicContact CB-CG 4.13Å
489	A	95.1	Very high	97	Very high	88 Å²	88	53 Å²	53	73%	0.727	28%	0.281	S	S	*	.	H	α-helix	trans	-91.3	-30.4	178.2	0	0	0	0	0	113.4	K485 K486 I487	K485-A489 PolarHBondContact O-N 3.13Å; K486-A489 PolarHBondContact O-N 2.98Å; I487-A489 PolarHBondContact O-N 2.92Å
490	S	96	Very high	96.7	Very high	71 Å²	71	50.6 Å²	50.6	50%	0.497	27%	0.268	S	S	.	.	H	α-helix	trans	-97.1	-40.8	-176.9	63	0	0	0	0	114.2	K486 I487	K486-S490 PolarHBondContact O-N 3.44Å; K486-S490 PolarHBondContact O-OG 2.98Å; I487-S490 PolarHBondContact O-N 3.07Å
491	E	97.8	Very high	96.2	Very high	53 Å²	53	51.8 Å²	51.8	25%	0.248	27%	0.274	C	S	.	.			trans	-84.9	145.5	-168	-55.3	-55.3	130.6	0	0	112.4	Y393 M397 I487 F493 L498	Y393-E491 PolarHBondContact OH-OE1 2.74Å; M397-E491 HydrophobicContact CE-CB 4.31Å; M397-E491 HydrophobicContact CE-CG 3.71Å; M397-E491 WeakPolarHBondContact CE-OE2 3.49Å; M397-E491 HydrophobicContact SD-CB 4.49Å; M397-E491 HydrophobicContact SD-CG 3.72Å; I487-E491 HydrophobicContact CG2-CB 4.44Å; I487-E491 HydrophobicContact CG2-CG 3.96Å; I487-E491 VanDerWaalsContact O-CB 3.31Å; I487-E491 WeakPolarHBondContact O-CB 3.42Å; I487-E491 WeakPolarHBondContact O-CG 3.31Å; I487-E491 PolarHBondContact O-N 3.33Å; E491-F493 HydrophobicContact CB-CE2 3.79Å; E491-F493 HydrophobicContact CB-CZ 4.37Å; E491-L498 HydrophobicContact CB-CD2 4.42Å
492	K	96.1	Very high	95.7	Very high	193 Å²	193	55.6 Å²	55.6	84%	0.839	29%	0.294	S	S	*	.			trans	-132	140.3	179.2	-65.7	-175.6	-179.1	178.5	0	110.9
493	F	97.1	Very high	94.8	Very high	37 Å²	37	53.5 Å²	53.5	16%	0.162	28%	0.281	C	S	.	.			trans	-127.9	157.4	-178.8	-64.8	-86	0	0	0	109.6	M397 L400 K401 N404 E491 F496 L498	M397-F493 HydrophobicContact CE-CZ 4Å; M397-F493 HydrophobicContact SD-CZ 4.39Å; L400-F493 HydrophobicContact CB-CE1 3.81Å; L400-F493 HydrophobicContact CB-CE2 3.92Å; L400-F493 HydrophobicContact CB-CZ 3.41Å; L400-F493 VanDerWaalsContact CB-CZ 3.41Å; L400-F493 HydrophobicContact CD1-CE2 3.91Å; L400-F493 HydrophobicContact CD1-CZ 4.01Å; L400-F493 HydrophobicContact CG-CE2 4.41Å; L400-F493 HydrophobicContact CG-CZ 4.3Å; K401-F493 HydrophobicContact CG-CE1 4.45Å; N404-F493 HydrophobicContact CB-CB 4.42Å; N404-F493 HydrophobicContact CB-CD1 3.8Å; E491-F493 HydrophobicContact CB-CE2 3.79Å; E491-F493 HydrophobicContact CB-CZ 4.37Å; F493-F496 HydrophobicContact CB-CD1 4.22Å; F493-F496 HydrophobicContact CB-CD2 4.02Å; F493-F496 HydrophobicContact CB-CE1 3.89Å; F493-F496 HydrophobicContact CB-CE2 3.65Å; F493-F496 HydrophobicContact CB-CG 4.29Å; F493-F496 HydrophobicContact CB-CZ 3.58Å; F493-F496 HydrophobicContact CD1-CE1 4.31Å; F493-F496 HydrophobicContact CD1-CE2 4.45Å; F493-F496 AromaticContact CD1-CZ 3.79Å; F493-F496 HydrophobicContact CD1-CZ 3.79Å; F493-F496 HydrophobicContact CD2-CD2 4.39Å; F493-F496 AromaticContact CD2-CE2 3.41Å; F493-F496 HydrophobicContact CD2-CE2 3.41Å; F493-F496 VanDerWaalsContact CD2-CE2 3.41Å; F493-F496 AromaticContact CD2-CZ 3.56Å; F493-F496 HydrophobicContact CD2-CZ 3.56Å; F493-F496 HydrophobicContact CE1-CZ 4.4Å; F493-F496 HydrophobicContact CE2-CE2 4.22Å; F493-F496 HydrophobicContact CE2-CZ 4.22Å; F493-F496 HydrophobicContact CG-CD2 4.41Å; F493-F496 HydrophobicContact CG-CE1 4.02Å; F493-F496 AromaticContact CG-CE2 3.56Å; F493-F496 HydrophobicContact CG-CE2 3.56Å; F493-F496 AromaticContact CG-CZ 3.32Å; F493-F496 HydrophobicContact CG-CZ 3.32Å; F493-L498 HydrophobicContact CD2-CD2 4.3Å; F493-L498 HydrophobicContact CE2-CD2 3.99Å
494	T	97.6	Very high	93.6	Very high	106 Å²	106	53.6 Å²	53.6	65%	0.65	28%	0.284	S	S	*	.	S	Bend	trans	-88.7	-27.5	-171.5	47	0	0	0	0	113.7	N404 N409	N404-T494 PolarHBondContact ND2-OG1 3.44Å; N404-T494 VanDerWaalsContact ND2-OG1 3.15Å; N404-T494 PolarHBondContact OD1-N 3.42Å; N404-T494 VanDerWaalsContact OD1-N 3.13Å; N404-T494 PolarHBondContact OD1-OG1 3.03Å; N409-T494 PolarHBondContact OD1-O 2.76Å
495	N	96.9	Very high	92.5	Very high	15 Å²	15	54 Å²	54	8%	0.08	29%	0.286	C	S	.	.	S	Bend	trans	-105.6	-7.4	-175.8	-55.7	-73.6	0	0	0	113.5	K358 N404 L407 N409 G410 S411	K358-N495 WeakPolarHBondContact CE-OD1 3.47Å; K358-N495 PolarHBondContact NZ-ND2 3.48Å; N404-N495 PolarHBondContact O-ND2 3.06Å; N404-N495 PolarHBondContact OD1-N 2.78Å; N404-N495 PolarHBondContact OD1-ND2 2.64Å; L407-N495 WeakPolarHBondContact O-CB 3.28Å; N409-N495 WeakPolarHBondContact CA-O 3.44Å; G410-N495 PolarHBondContact N-O 3.2Å; S411-N495 PolarHBondContact N-O 3.08Å
496	F	96.7	Very high	91.6	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	150.1	177.1	61.8	-101	0	0	0	114.5	L400 L403 N404 L407 S411 V413 F493 L498	L400-F496 HydrophobicContact CB-CZ 4.27Å; L400-F496 HydrophobicContact CD2-CE2 4.07Å; L400-F496 HydrophobicContact CD2-CZ 3.93Å; L403-F496 HydrophobicContact CB-CE1 3.92Å; L403-F496 HydrophobicContact CB-CZ 4.48Å; N404-F496 HydrophobicContact CB-CD1 4.48Å; N404-F496 HydrophobicContact CB-CE1 3.76Å; N404-F496 HydrophobicContact CB-CZ 4.49Å; L407-F496 HydrophobicContact CD1-CD1 3.92Å; L407-F496 HydrophobicContact CD1-CE1 4.48Å; S411-F496 WeakPolarHBondContact O-CA 3.15Å; S411-F496 VanDerWaalsContact O-CB 3.25Å; S411-F496 WeakPolarHBondContact O-CB 3.23Å; V413-F496 HydrophobicContact CB-CD2 3.79Å; V413-F496 HydrophobicContact CB-CE2 3.95Å; V413-F496 HydrophobicContact CB-CG 4.4Å; V413-F496 HydrophobicContact CG2-CB 4.09Å; V413-F496 HydrophobicContact CG2-CD1 3.9Å; V413-F496 HydrophobicContact CG2-CD2 3.39Å; V413-F496 HydrophobicContact CG2-CE1 4.1Å; V413-F496 HydrophobicContact CG2-CE2 3.65Å; V413-F496 HydrophobicContact CG2-CG 3.53Å; V413-F496 HydrophobicContact CG2-CZ 4Å; F493-F496 HydrophobicContact CB-CD1 4.22Å; F493-F496 HydrophobicContact CB-CD2 4.02Å; F493-F496 HydrophobicContact CB-CE1 3.89Å; F493-F496 HydrophobicContact CB-CE2 3.65Å; F493-F496 HydrophobicContact CB-CG 4.29Å; F493-F496 HydrophobicContact CB-CZ 3.58Å; F493-F496 HydrophobicContact CD1-CE1 4.31Å; F493-F496 HydrophobicContact CD1-CE2 4.45Å; F493-F496 AromaticContact CD1-CZ 3.79Å; F493-F496 HydrophobicContact CD1-CZ 3.79Å; F493-F496 HydrophobicContact CD2-CD2 4.39Å; F493-F496 AromaticContact CD2-CE2 3.41Å; F493-F496 HydrophobicContact CD2-CE2 3.41Å; F493-F496 VanDerWaalsContact CD2-CE2 3.41Å; F493-F496 AromaticContact CD2-CZ 3.56Å; F493-F496 HydrophobicContact CD2-CZ 3.56Å; F493-F496 HydrophobicContact CE1-CZ 4.4Å; F493-F496 HydrophobicContact CE2-CE2 4.22Å; F493-F496 HydrophobicContact CE2-CZ 4.22Å; F493-F496 HydrophobicContact CG-CD2 4.41Å; F493-F496 HydrophobicContact CG-CE1 4.02Å; F493-F496 AromaticContact CG-CE2 3.56Å; F493-F496 HydrophobicContact CG-CE2 3.56Å; F493-F496 AromaticContact CG-CZ 3.32Å; F493-F496 HydrophobicContact CG-CZ 3.32Å; F496-L498 HydrophobicContact CD2-CB 4.45Å; F496-L498 HydrophobicContact CE2-CB 4.29Å; F496-L498 HydrophobicContact CE2-CD1 4.24Å
497	N	94.7	Very high	90.8	Very high	60 Å²	60	53.9 Å²	53.9	32%	0.321	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	140.2	162.9	-78.3	-44.6	0	0	0	110	S411 H412 V413 F499 Q556	S411-N497 PolarHBondContact O-N 2.84Å; S411-N497 VanDerWaalsContact O-N 3.09Å; H412-N497 WeakPolarHBondContact CA-O 3.43Å; V413-N497 PolarHBondContact N-O 2.88Å; N497-F499 HydrophobicContact CB-CE2 3.55Å; N497-F499 HydrophobicContact CB-CZ 3.52Å; N497-Q556 PolarHBondContact ND2-OE1 3.04Å
498	L	94.1	Very high	90	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.9	-179.2	-172.6	60.6	0	0	0	110.9	L400 V413 L415 I487 A488 E491 F493 F496	L400-L498 HydrophobicContact CD1-CD1 4.47Å; L400-L498 HydrophobicContact CD1-CD2 3.85Å; L400-L498 HydrophobicContact CD2-CD1 3.81Å; L400-L498 HydrophobicContact CD2-CD2 4.49Å; V413-L498 HydrophobicContact CB-CD1 3.77Å; V413-L498 HydrophobicContact CG1-CD1 3.72Å; V413-L498 CarbonylContact O-C 3.31Å; V413-L498 WeakPolarHBondContact O-CA 3.49Å; L415-L498 HydrophobicContact CD1-CD1 4.22Å; L415-L498 HydrophobicContact CD2-CD1 4.25Å; L415-L498 HydrophobicContact CG-CD1 3.93Å; I487-L498 HydrophobicContact CG2-CD2 4.14Å; A488-L498 HydrophobicContact CB-CG 4.13Å; E491-L498 HydrophobicContact CB-CD2 4.42Å; F493-L498 HydrophobicContact CD2-CD2 4.3Å; F493-L498 HydrophobicContact CE2-CD2 3.99Å; F496-L498 HydrophobicContact CD2-CB 4.45Å; F496-L498 HydrophobicContact CE2-CB 4.29Å; F496-L498 HydrophobicContact CE2-CD1 4.24Å
499	F	93.8	Very high	89.6	Confident	25 Å²	25	54 Å²	54	11%	0.11	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.3	-177.5	-53.2	-80.1	0	0	0	110.7	H412 V413 I414 L415 N497 Q552	H412-F499 HydrophobicContact CB-CD2 4.48Å; H412-F499 HydrophobicContact CB-CE2 3.98Å; H412-F499 AromaticContact ND1-CE2 3.49Å; H412-F499 WeakPolarHBondContact ND1-CE2 3.39Å; H412-F499 AromaticContact ND1-CZ 3.89Å; V413-F499 PolarHBondContact O-N 3.06Å; I414-F499 HydrophobicContact CG1-CB 4.39Å; I414-F499 HydrophobicContact CG1-CD2 4.34Å; I414-F499 HydrophobicContact CG2-CB 4.3Å; L415-F499 PolarHBondContact N-O 2.76Å; N497-F499 HydrophobicContact CB-CE2 3.55Å; N497-F499 HydrophobicContact CB-CZ 3.52Å; F499-Q552 HydrophobicContact CE1-CB 4.04Å; F499-Q552 VanDerWaalsContact CE1-CD 3.5Å; F499-Q552 HydrophobicContact CE1-CG 4.36Å
500	Y	92.8	Very high	89.2	Confident	38 Å²	38	55 Å²	55	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.7	171.1	169.2	-91.1	0	0	0	110.1	L415 S481 L484 K485 D502	L415-Y500 HydrophobicContact CB-CD2 4.34Å; L415-Y500 CarbonylContact O-C 3.54Å; L415-Y500 WeakPolarHBondContact O-CA 3.39Å; L415-Y500 WeakPolarHBondContact O-CD2 3.48Å; S481-Y500 WeakPolarHBondContact O-CE2 3.49Å; L484-Y500 HydrophobicContact CB-CD2 3.79Å; L484-Y500 HydrophobicContact CB-CE2 3.83Å; K485-Y500 HydrophobicContact CB-CD1 3.79Å; K485-Y500 HydrophobicContact CB-CD2 4.02Å; K485-Y500 HydrophobicContact CB-CE1 3.81Å; K485-Y500 HydrophobicContact CB-CE2 4.03Å; K485-Y500 HydrophobicContact CB-CG 3.89Å; K485-Y500 HydrophobicContact CD-CD1 3.88Å; K485-Y500 HydrophobicContact CD-CE1 3.54Å; K485-Y500 HydrophobicContact CG-CD1 3.54Å; K485-Y500 HydrophobicContact CG-CE1 3.7Å; K485-Y500 HydrophobicContact CG-CG 4.06Å; Y500-D502 HydrophobicContact CE1-CB 4.38Å; Y500-D502 VanDerWaalsContact CE1-CG 3.48Å; Y500-D502 WeakPolarHBondContact CE1-OD1 3.3Å; Y500-D502 PolarHBondContact OH-OD1 2.73Å
501	M	88.7	Confident	88.8	Confident	26 Å²	26	53.8 Å²	53.8	13%	0.128	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.9	173.5	-60.6	-170.5	83.9	0	0	110.1	I414 L415 Y416 G417 L543	I414-M501 HydrophobicContact CG2-CB 4.33Å; I414-M501 HydrophobicContact CG2-CG 3.63Å; I414-M501 HydrophobicContact CG2-SD 3.78Å; L415-M501 PolarHBondContact O-N 3.34Å; Y416-M501 WeakPolarHBondContact CA-O 3.39Å; Y416-M501 HydrophobicContact CD2-CB 4.28Å; Y416-M501 HydrophobicContact CE2-CB 4.29Å; Y416-M501 HydrophobicContact CE2-SD 4.28Å; G417-M501 PolarHBondContact N-O 2.83Å; M501-L543 HydrophobicContact CB-CD2 4.37Å; M501-L543 HydrophobicContact CE-CD2 3.42Å; M501-L543 VanDerWaalsContact CE-CD2 3.42Å; M501-L543 HydrophobicContact SD-CD2 3.63Å
502	D	86.9	Confident	88.4	Confident	88 Å²	88	52.8 Å²	52.8	47%	0.471	26%	0.256	S	S	.	.			trans	-66.7	147.9	172.2	-69.4	-64.9	0	0	0	110.3	K485 Y500 A504	K485-D502 IonicContact NZ-OD1 3.51Å; K485-D502 IonicContact NZ-OD2 2.75Å; K485-D502 PolarHBondContact NZ-OD2 3.1Å; Y500-D502 HydrophobicContact CE1-CB 4.38Å; Y500-D502 VanDerWaalsContact CE1-CG 3.48Å; Y500-D502 WeakPolarHBondContact CE1-OD1 3.3Å; Y500-D502 PolarHBondContact OH-OD1 2.73Å; D502-A504 PolarHBondContact O-N 2.84Å
503	F	79.6	Confident	88.2	Confident	22 Å²	22	48.2 Å²	48.2	10%	0.096	24%	0.238	C	C	.	.			trans	-73.9	99.4	174.6	-163.5	-78.2	0	0	0	109.1	I371 P419 F505 L539	I371-F503 HydrophobicContact CB-CE2 4.45Å; I371-F503 HydrophobicContact CD1-CD2 4.48Å; I371-F503 HydrophobicContact CD1-CE2 3.64Å; I371-F503 HydrophobicContact CD1-CZ 4.41Å; I371-F503 HydrophobicContact CG2-CD2 4.19Å; I371-F503 HydrophobicContact CG2-CE2 4.36Å; P419-F503 HydrophobicContact CB-CD1 3.74Å; P419-F503 HydrophobicContact CB-CD2 4.4Å; P419-F503 HydrophobicContact CB-CE1 4.02Å; P419-F503 HydrophobicContact CB-CG 3.95Å; P419-F503 HydrophobicContact CB-CZ 4.47Å; F503-F505 HydrophobicContact CD1-CB 3.9Å; F503-F505 AromaticContact CD1-CD2 3.76Å; F503-F505 HydrophobicContact CD1-CD2 3.76Å; F503-F505 HydrophobicContact CD1-CG 4.18Å; F503-F505 HydrophobicContact CE1-CB 4.19Å; F503-F505 AromaticContact CE1-CD2 3.51Å; F503-F505 HydrophobicContact CE1-CD2 3.51Å; F503-F505 HydrophobicContact CE1-CE2 4.24Å; F503-F505 HydrophobicContact CE1-CG 4.02Å; F503-F505 PolarHBondContact O-N 3.09Å; F503-L539 HydrophobicContact CE2-CD2 3.86Å; F503-L539 HydrophobicContact CZ-CD2 3.8Å
504	A	72.9	Confident	87.9	Confident	17 Å²	17	53.8 Å²	53.8	14%	0.14	26%	0.262	C	S	.	.			trans	-70.8	47.2	-171.7	0	0	0	0	0	115	D502 H506 E507 I508	D502-A504 PolarHBondContact O-N 2.84Å; A504-H506 PolarHBondContact O-N 3.46Å; A504-E507 HydrophobicContact CB-CB 4.31Å; A504-E507 HydrophobicContact CB-CG 4.47Å; A504-E507 PolarHBondContact O-N 3.44Å; A504-I508 WeakPolarHBondContact O-CD1 3.35Å; A504-I508 VanDerWaalsContact O-CG1 3.32Å; A504-I508 WeakPolarHBondContact O-CG1 3.48Å; A504-I508 PolarHBondContact O-N 3.05Å; A504-I508 VanDerWaalsContact O-N 3.17Å
505	F	75.6	Confident	87.5	Confident	10 Å²	10	53.7 Å²	53.7	4%	0.044	25%	0.25	C	C	.	.	H	α-helix	trans	-57.2	-48.3	-174.6	-145.3	-56.1	0	0	0	112.1	P419 F423 F503 E507 I508 I509	P419-F505 HydrophobicContact CB-CD2 3.74Å; P419-F505 HydrophobicContact CB-CE2 4.06Å; F423-F505 HydrophobicContact CB-CE1 4.11Å; F423-F505 HydrophobicContact CB-CZ 3.92Å; F423-F505 AromaticContact CD1-CE1 3.39Å; F423-F505 HydrophobicContact CD1-CE1 3.39Å; F423-F505 HydrophobicContact CD1-CE2 4.48Å; F423-F505 AromaticContact CD1-CZ 3.26Å; F423-F505 HydrophobicContact CD1-CZ 3.26Å; F423-F505 HydrophobicContact CD2-CD1 4.48Å; F423-F505 AromaticContact CD2-CE1 3.76Å; F423-F505 HydrophobicContact CD2-CE1 3.76Å; F423-F505 HydrophobicContact CD2-CZ 4.34Å; F423-F505 AromaticContact CE1-CE1 3.55Å; F423-F505 HydrophobicContact CE1-CE1 3.55Å; F423-F505 AromaticContact CE1-CZ 3.73Å; F423-F505 HydrophobicContact CE1-CZ 3.73Å; F423-F505 AromaticContact CE2-CE1 3.95Å; F423-F505 HydrophobicContact CE2-CE1 3.95Å; F423-F505 HydrophobicContact CG-CD1 4.43Å; F423-F505 AromaticContact CG-CE1 3.46Å; F423-F505 HydrophobicContact CG-CE1 3.46Å; F423-F505 VanDerWaalsContact CG-CE1 3.46Å; F423-F505 AromaticContact CG-CZ 3.58Å; F423-F505 HydrophobicContact CG-CZ 3.58Å; F423-F505 AromaticContact CZ-CE1 3.82Å; F423-F505 HydrophobicContact CZ-CE1 3.82Å; F423-F505 HydrophobicContact CZ-CZ 4.45Å; F503-F505 HydrophobicContact CD1-CB 3.9Å; F503-F505 AromaticContact CD1-CD2 3.76Å; F503-F505 HydrophobicContact CD1-CD2 3.76Å; F503-F505 HydrophobicContact CD1-CG 4.18Å; F503-F505 HydrophobicContact CE1-CB 4.19Å; F503-F505 AromaticContact CE1-CD2 3.51Å; F503-F505 HydrophobicContact CE1-CD2 3.51Å; F503-F505 HydrophobicContact CE1-CE2 4.24Å; F503-F505 HydrophobicContact CE1-CG 4.02Å; F503-F505 PolarHBondContact O-N 3.09Å; F505-E507 VanDerWaalsContact C-N 3.34Å; F505-E507 PolarHBondContact O-N 3.24Å; F505-I508 PolarHBondContact O-N 3.01Å; F505-I509 HydrophobicContact CD1-CD1 3.56Å; F505-I509 HydrophobicContact CD1-CG1 3.93Å; F505-I509 HydrophobicContact CE1-CD1 3.9Å; F505-I509 HydrophobicContact CE1-CG1 4.18Å; F505-I509 WeakPolarHBondContact O-CG1 3.38Å; F505-I509 PolarHBondContact O-N 3.28Å
506	H	78.7	Confident	87.4	Confident	127 Å²	127	56 Å²	56	59%	0.588	28%	0.276	S	S	*	.	H	α-helix	trans	-61.4	-41	-178.6	-68.5	100.1	0	0	0	112.4	A504 I509 Q510	A504-H506 PolarHBondContact O-N 3.46Å; H506-I509 PolarHBondContact O-N 3.05Å; H506-Q510 WeakPolarHBondContact O-CG 3.17Å; H506-Q510 PolarHBondContact O-N 2.83Å
507	E	81.6	Confident	87.2	Confident	106 Å²	106	55.7 Å²	55.7	50%	0.495	28%	0.276	S	S	.	.	H	α-helix	trans	-65.7	-40.5	178.1	-61.6	176.9	-164.9	0	0	111.5	A504 F505 Q510 E511 I542	A504-E507 HydrophobicContact CB-CB 4.31Å; A504-E507 HydrophobicContact CB-CG 4.47Å; A504-E507 PolarHBondContact O-N 3.44Å; F505-E507 VanDerWaalsContact C-N 3.34Å; F505-E507 PolarHBondContact O-N 3.24Å; E507-Q510 PolarHBondContact O-N 2.74Å; E507-E511 VanDerWaalsContact O-CB 3.31Å; E507-E511 WeakPolarHBondContact O-CB 3.43Å; E507-E511 PolarHBondContact O-N 2.77Å; E507-I542 HydrophobicContact CB-CD1 4.27Å; E507-I542 WeakPolarHBondContact OE2-CG2 3.25Å
508	I	82.8	Confident	87.2	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-42.5	175.8	-60.1	154.9	0	0	0	111.4	A504 F505 E511 W512 L522 K535 L538 L539 I542	A504-I508 WeakPolarHBondContact O-CD1 3.35Å; A504-I508 VanDerWaalsContact O-CG1 3.32Å; A504-I508 WeakPolarHBondContact O-CG1 3.48Å; A504-I508 PolarHBondContact O-N 3.05Å; A504-I508 VanDerWaalsContact O-N 3.17Å; F505-I508 PolarHBondContact O-N 3.01Å; I508-E511 PolarHBondContact O-N 2.9Å; I508-W512 VanDerWaalsContact O-CB 3.32Å; I508-W512 WeakPolarHBondContact O-CB 3.43Å; I508-W512 PolarHBondContact O-N 3.02Å; I508-L522 HydrophobicContact CG2-CD1 4.19Å; I508-K535 HydrophobicContact CG2-CG 4.22Å; I508-L538 HydrophobicContact CG2-CB 3.87Å; I508-L538 HydrophobicContact CG2-CD1 4.3Å; I508-L539 HydrophobicContact CD1-CB 3.57Å; I508-L539 HydrophobicContact CD1-CD1 3.68Å; I508-L539 HydrophobicContact CD1-CG 4.13Å; I508-L539 HydrophobicContact CG1-CB 4.32Å; I508-I542 HydrophobicContact CB-CD1 4.41Å; I508-I542 HydrophobicContact CG1-CD1 3.78Å
509	I	85.8	Confident	87.2	Confident	21 Å²	21	57.1 Å²	57.1	11%	0.108	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-49.1	176.8	-64.9	159.9	0	0	0	109.8	F423 F505 H506 E511 W512 Q513 P519	F423-I509 HydrophobicContact CD2-CD1 3.51Å; F423-I509 HydrophobicContact CD2-CG1 4.35Å; F423-I509 HydrophobicContact CE2-CD1 3.29Å; F423-I509 HydrophobicContact CE2-CG1 3.65Å; F423-I509 HydrophobicContact CZ-CD1 4.17Å; F423-I509 HydrophobicContact CZ-CG1 4.13Å; F505-I509 HydrophobicContact CD1-CD1 3.56Å; F505-I509 HydrophobicContact CD1-CG1 3.93Å; F505-I509 HydrophobicContact CE1-CD1 3.9Å; F505-I509 HydrophobicContact CE1-CG1 4.18Å; F505-I509 WeakPolarHBondContact O-CG1 3.38Å; F505-I509 PolarHBondContact O-N 3.28Å; H506-I509 PolarHBondContact O-N 3.05Å; I509-E511 VanDerWaalsContact C-N 3.34Å; I509-E511 PolarHBondContact O-N 2.82Å; I509-W512 PolarHBondContact O-N 3.03Å; I509-Q513 HydrophobicContact CG2-CG 4.28Å; I509-Q513 WeakPolarHBondContact O-CB 3.24Å; I509-Q513 VanDerWaalsContact O-CG 3.29Å; I509-Q513 WeakPolarHBondContact O-CG 3.34Å; I509-Q513 PolarHBondContact O-N 3.07Å; I509-P519 HydrophobicContact CG2-CB 4.14Å; I509-P519 HydrophobicContact CG2-CG 4Å
510	Q	87.4	Confident	87.3	Confident	110 Å²	110	60.2 Å²	60.2	51%	0.514	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-43.9	179	-71.9	176.1	12	0	0	111.6	H506 E507 Q513 K514	H506-Q510 WeakPolarHBondContact O-CG 3.17Å; H506-Q510 PolarHBondContact O-N 2.83Å; E507-Q510 PolarHBondContact O-N 2.74Å; Q510-Q513 PolarHBondContact O-N 3.13Å; Q510-K514 VanDerWaalsContact O-CG 3.3Å; Q510-K514 WeakPolarHBondContact O-CG 3.38Å; Q510-K514 PolarHBondContact O-N 2.83Å
511	E	86.4	Confident	87.4	Confident	45 Å²	45	61 Å²	61	21%	0.21	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-38.1	178	-176.1	53.1	-152.3	0	0	112.4	E507 I508 I509 K514 R515 L538 I542	E507-E511 VanDerWaalsContact O-CB 3.31Å; E507-E511 WeakPolarHBondContact O-CB 3.43Å; E507-E511 PolarHBondContact O-N 2.77Å; I508-E511 PolarHBondContact O-N 2.9Å; I509-E511 VanDerWaalsContact C-N 3.34Å; I509-E511 PolarHBondContact O-N 2.82Å; E511-K514 WeakPolarHBondContact OE2-CD 3.38Å; E511-K514 IonicContact OE2-NZ 3.12Å; E511-K514 PolarHBondContact OE2-NZ 2.84Å; E511-K514 VanDerWaalsContact OE2-NZ 3.12Å; E511-R515 WeakPolarHBondContact O-CG 3.28Å; E511-R515 PolarHBondContact O-N 3.16Å; E511-R515 IonicContact OE1-CZ 3.28Å; E511-R515 VanDerWaalsContact OE1-CZ 3.28Å; E511-R515 IonicContact OE1-NE 2.9Å; E511-R515 PolarHBondContact OE1-NE 3.31Å; E511-R515 IonicContact OE1-NH2 2.78Å; E511-R515 PolarHBondContact OE1-NH2 2.86Å; E511-L538 HydrophobicContact CG-CD2 4.47Å; E511-I542 HydrophobicContact CB-CD1 4.35Å
512	W	90.1	Very high	87.7	Confident	32 Å²	32	59.7 Å²	59.7	12%	0.121	29%	0.291	C	S	.	.	H	α-helix	trans	-68.1	-40	174	-173.9	-123.4	0	0	0	112.4	I314 I508 I509 R515 G517 Q518 Q521 L522 L538	I314-W512 HydrophobicContact CD1-CZ3 4.31Å; I508-W512 VanDerWaalsContact O-CB 3.32Å; I508-W512 WeakPolarHBondContact O-CB 3.43Å; I508-W512 PolarHBondContact O-N 3.02Å; I509-W512 PolarHBondContact O-N 3.03Å; W512-R515 HydrophobicContact CE3-CB 4.41Å; W512-R515 WeakPolarHBondContact O-CB 3.32Å; W512-R515 PolarHBondContact O-N 3.4Å; W512-R515 VanDerWaalsContact O-N 3.11Å; W512-G517 WeakPolarHBondContact O-CA 3.48Å; W512-G517 PolarHBondContact O-N 3.05Å; W512-Q518 VanDerWaalsContact CD1-O 3.32Å; W512-Q518 PolarHBondContact NE1-O 3.14Å; W512-Q521 HydrophobicContact CZ2-CB 4.26Å; W512-L522 HydrophobicContact CB-CD1 3.96Å; W512-L522 HydrophobicContact CB-CD2 4.18Å; W512-L522 HydrophobicContact CB-CG 4.44Å; W512-L522 HydrophobicContact CD2-CD2 3.92Å; W512-L522 HydrophobicContact CG-CD1 4Å; W512-L522 HydrophobicContact CG-CD2 3.68Å; W512-L522 HydrophobicContact CG-CG 3.97Å; W512-L538 HydrophobicContact CB-CD1 4.26Å; W512-L538 HydrophobicContact CD2-CD1 4.37Å; W512-L538 HydrophobicContact CE3-CD1 3.85Å
513	Q	91.8	Very high	88.2	Confident	97 Å²	97	55.8 Å²	55.8	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-39.3	175.2	-74.9	173.6	-35.9	0	0	112.4	I509 Q510 R515 G516	I509-Q513 HydrophobicContact CG2-CG 4.28Å; I509-Q513 WeakPolarHBondContact O-CB 3.24Å; I509-Q513 VanDerWaalsContact O-CG 3.29Å; I509-Q513 WeakPolarHBondContact O-CG 3.34Å; I509-Q513 PolarHBondContact O-N 3.07Å; Q510-Q513 PolarHBondContact O-N 3.13Å; Q513-R515 PolarHBondContact O-N 3.06Å; Q513-G516 PolarHBondContact O-N 2.84Å
514	K	90.9	Very high	89	Confident	153 Å²	153	55 Å²	55	67%	0.665	27%	0.267	S	S	*	.	H	α-helix	trans	-58.9	-28.6	172	-71.5	172	-153.1	160.1	0	112.8	Q510 E511 G516	Q510-K514 VanDerWaalsContact O-CG 3.3Å; Q510-K514 WeakPolarHBondContact O-CG 3.38Å; Q510-K514 PolarHBondContact O-N 2.83Å; E511-K514 WeakPolarHBondContact OE2-CD 3.38Å; E511-K514 IonicContact OE2-NZ 3.12Å; E511-K514 PolarHBondContact OE2-NZ 2.84Å; E511-K514 VanDerWaalsContact OE2-NZ 3.12Å; K514-G516 PolarHBondContact O-N 3.45Å
515	R	90.5	Very high	90.1	Very high	105 Å²	105	56 Å²	56	40%	0.396	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	9.2	175.8	-61.9	171.3	-169.5	-143.1	-0.2	113.1	E316 E511 W512 Q513 G517	E316-R515 VanDerWaalsContact CD-NH1 3.26Å; E316-R515 IonicContact OE1-CZ 2.76Å; E316-R515 VanDerWaalsContact OE1-CZ 3.26Å; E316-R515 IonicContact OE1-NH1 2.93Å; E316-R515 PolarHBondContact OE1-NH1 3.3Å; E316-R515 IonicContact OE1-NH2 3.96Å; E316-R515 PolarHBondContact OE1-NH2 2.73Å; E316-R515 IonicContact OE2-NH1 2.97Å; E316-R515 PolarHBondContact OE2-NH1 2.84Å; E511-R515 WeakPolarHBondContact O-CG 3.28Å; E511-R515 PolarHBondContact O-N 3.16Å; E511-R515 IonicContact OE1-CZ 3.28Å; E511-R515 VanDerWaalsContact OE1-CZ 3.28Å; E511-R515 IonicContact OE1-NE 2.9Å; E511-R515 PolarHBondContact OE1-NE 3.31Å; E511-R515 IonicContact OE1-NH2 2.78Å; E511-R515 PolarHBondContact OE1-NH2 2.86Å; W512-R515 HydrophobicContact CE3-CB 4.41Å; W512-R515 WeakPolarHBondContact O-CB 3.32Å; W512-R515 PolarHBondContact O-N 3.4Å; W512-R515 VanDerWaalsContact O-N 3.11Å; Q513-R515 PolarHBondContact O-N 3.06Å; R515-G517 VanDerWaalsContact C-N 3.26Å; R515-G517 PolarHBondContact O-N 2.79Å
516	G	92.9	Very high	91.1	Very high	62 Å²	62	56.1 Å²	56.1	64%	0.639	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	4.6	-176.1	0	0	0	0	0	114.3	Q513 K514	Q513-G516 PolarHBondContact O-N 2.84Å; K514-G516 PolarHBondContact O-N 3.45Å
517	G	93.3	Very high	91.9	Very high	4 Å²	4	51 Å²	51	4%	0.041	25%	0.25	C	S	.	.			trans	-76	159.6	-178.4	0	0	0	0	0	114	W512 R515	W512-G517 WeakPolarHBondContact O-CA 3.48Å; W512-G517 PolarHBondContact O-N 3.05Å; R515-G517 VanDerWaalsContact C-N 3.26Å; R515-G517 PolarHBondContact O-N 2.79Å
518	Q	94.9	Very high	92.6	Very high	99 Å²	99	46 Å²	46	46%	0.463	23%	0.227	S	C	.	.			trans	-112	144.2	175.1	-64.2	-60.5	-46.9	0	0	110.8	W512 W520 Q521	W512-Q518 VanDerWaalsContact CD1-O 3.32Å; W512-Q518 PolarHBondContact NE1-O 3.14Å; Q518-W520 VanDerWaalsContact C-N 3.33Å; Q518-W520 VanDerWaalsContact CB-NE1 3.29Å; Q518-W520 PolarHBondContact O-N 2.97Å; Q518-Q521 HydrophobicContact CB-CG 4.27Å; Q518-Q521 VanDerWaalsContact O-CB 3.26Å; Q518-Q521 WeakPolarHBondContact O-CB 3.23Å; Q518-Q521 WeakPolarHBondContact O-CG 3.46Å; Q518-Q521 PolarHBondContact O-N 3.45Å; Q518-Q521 PolarHBondContact O-OE1 3.34Å
519	P	94.3	Very high	93.3	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.071	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-67.8	-30.2	-165.4	-15.4	28.1	0	0	0	113.8	F423 N427 I509 Q521 L522	F423-P519 HydrophobicContact CE2-CB 3.43Å; F423-P519 VanDerWaalsContact CE2-CB 3.43Å; F423-P519 HydrophobicContact CZ-CB 3.38Å; F423-P519 WeakPolarHBondContact CZ-O 3.31Å; N427-P519 WeakPolarHBondContact OD1-CB 3.08Å; I509-P519 HydrophobicContact CG2-CB 4.14Å; I509-P519 HydrophobicContact CG2-CG 4Å; P519-Q521 PolarHBondContact O-N 2.72Å; P519-Q521 VanDerWaalsContact O-N 3.15Å; P519-L522 VanDerWaalsContact O-CB 3.3Å; P519-L522 WeakPolarHBondContact O-CB 3.48Å; P519-L522 PolarHBondContact O-N 3.13Å; P519-L522 VanDerWaalsContact O-N 3.12Å
520	W	95.3	Very high	93.8	Very high	91 Å²	91	46.4 Å²	46.4	35%	0.345	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-59.7	-22.6	173.1	65.6	-95.7	0	0	0	113.7	N427 L428 R431 Q518 L522 I523	N427-W520 HydrophobicContact CB-CB 4.41Å; L428-W520 HydrophobicContact CD2-CB 3.89Å; R431-W520 VanDerWaalsContact CZ-CE2 3.47Å; Q518-W520 VanDerWaalsContact C-N 3.33Å; Q518-W520 VanDerWaalsContact CB-NE1 3.29Å; Q518-W520 PolarHBondContact O-N 2.97Å; W520-L522 PolarHBondContact O-N 3.28Å; W520-I523 PolarHBondContact O-N 3.07Å
521	Q	95.4	Very high	94.1	Very high	53 Å²	53	41.9 Å²	41.9	25%	0.248	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-75.8	0.7	178.3	-57.7	173.5	-43.5	0	0	113.6	W512 Q518 P519 N532 R534	W512-Q521 HydrophobicContact CZ2-CB 4.26Å; Q518-Q521 HydrophobicContact CB-CG 4.27Å; Q518-Q521 VanDerWaalsContact O-CB 3.26Å; Q518-Q521 WeakPolarHBondContact O-CB 3.23Å; Q518-Q521 WeakPolarHBondContact O-CG 3.46Å; Q518-Q521 PolarHBondContact O-N 3.45Å; Q518-Q521 PolarHBondContact O-OE1 3.34Å; P519-Q521 PolarHBondContact O-N 2.72Å; P519-Q521 VanDerWaalsContact O-N 3.15Å; Q521-N532 PolarHBondContact O-ND2 3.2Å; Q521-R534 PolarHBondContact O-NH1 3.19Å
522	L	95.1	Very high	94.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-101.8	-1	178.1	-62.5	177	0	0	0	113.2	I508 W512 P519 W520 N532 R534 K535 L538	I508-L522 HydrophobicContact CG2-CD1 4.19Å; W512-L522 HydrophobicContact CB-CD1 3.96Å; W512-L522 HydrophobicContact CB-CD2 4.18Å; W512-L522 HydrophobicContact CB-CG 4.44Å; W512-L522 HydrophobicContact CD2-CD2 3.92Å; W512-L522 HydrophobicContact CG-CD1 4Å; W512-L522 HydrophobicContact CG-CD2 3.68Å; W512-L522 HydrophobicContact CG-CG 3.97Å; P519-L522 VanDerWaalsContact O-CB 3.3Å; P519-L522 WeakPolarHBondContact O-CB 3.48Å; P519-L522 PolarHBondContact O-N 3.13Å; P519-L522 VanDerWaalsContact O-N 3.12Å; W520-L522 PolarHBondContact O-N 3.28Å; L522-N532 VanDerWaalsContact C-ND2 3.32Å; L522-N532 PolarHBondContact O-N 3.31Å; L522-N532 VanDerWaalsContact O-N 3.15Å; L522-R534 HydrophobicContact CD2-CB 4.17Å; L522-K535 HydrophobicContact CB-CB 3.98Å; L522-K535 HydrophobicContact CB-CD 3.95Å; L522-K535 HydrophobicContact CB-CG 4.31Å; L522-K535 HydrophobicContact CD2-CB 4.13Å; L522-K535 WeakPolarHBondContact O-CB 3.33Å; L522-K535 WeakPolarHBondContact O-CD 3.42Å; L522-L538 HydrophobicContact CD2-CD1 4.13Å
523	I	96.5	Very high	94.3	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-107.6	148.4	178.9	-49.2	165.3	0	0	0	108.8	F423 L424 L428 W520 G528 H530 N532	F423-I523 HydrophobicContact CD1-CD1 4.08Å; F423-I523 HydrophobicContact CD1-CG1 4.49Å; F423-I523 HydrophobicContact CE1-CD1 3.67Å; F423-I523 HydrophobicContact CE1-CG1 3.85Å; L424-I523 HydrophobicContact CD2-CD1 3.81Å; L424-I523 HydrophobicContact CD2-CG1 4.02Å; L424-I523 HydrophobicContact CD2-CG2 4Å; L428-I523 HydrophobicContact CD1-CB 4.2Å; L428-I523 HydrophobicContact CD1-CD1 3.52Å; L428-I523 HydrophobicContact CD1-CG1 4.46Å; L428-I523 HydrophobicContact CD1-CG2 3.83Å; L428-I523 HydrophobicContact CD2-CD1 4.02Å; L428-I523 HydrophobicContact CG-CD1 3.57Å; W520-I523 PolarHBondContact O-N 3.07Å; I523-G528 VanDerWaalsContact CG2-C 3.42Å; I523-H530 CarbonylContact C-O 3.5Å; I523-H530 WeakPolarHBondContact CA-O 3.14Å; I523-H530 WeakPolarHBondContact CG2-O 3.17Å; I523-N532 PolarHBondContact N-ND2 3.41Å; I523-N532 PolarHBondContact O-ND2 3Å
524	E	96.6	Very high	94.1	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.023	19%	0.19	C	C	.	.			trans	-63.6	125.5	171.2	-79.6	-60.2	152.4	0	0	110.8	H267 H269 V526 D527 G528 H530 N532	H267-E524 IonicContact CE1-OE1 3.71Å; H267-E524 PolarHBondContact CE1-OE1 3.47Å; H267-E524 IonicContact ND1-OE1 3.41Å; H269-E524 IonicContact CE1-OE2 3.67Å; H269-E524 IonicContact CG-OE1 2.74Å; H269-E524 IonicContact CG-OE2 3.06Å; H269-E524 IonicContact ND1-OE1 2.62Å; H269-E524 PolarHBondContact ND1-OE1 3.1Å; H269-E524 IonicContact ND1-OE2 3.91Å; H269-E524 PolarHBondContact ND1-OE2 2.72Å; E524-V526 VanDerWaalsContact C-N 3.32Å; E524-V526 PolarHBondContact O-N 2.99Å; E524-D527 WeakPolarHBondContact CB-OD1 3.34Å; E524-G528 WeakPolarHBondContact O-CA 3.17Å; E524-G528 PolarHBondContact O-N 3.39Å; E524-H530 HydrophobicContact CB-CB 4.21Å; E524-H530 HydrophobicContact CG-CB 3.88Å; E524-H530 PolarHBondContact N-O 3.41Å; E524-N532 HydrophobicContact CG-CB 3.99Å; E524-N532 WeakPolarHBondContact OE1-CA 3.18Å; E524-N532 WeakPolarHBondContact OE1-CB 3.31Å
525	P	97.1	Very high	93.5	Very high	38 Å²	38	31.3 Å²	31.3	25%	0.247	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-19.7	-170.3	29.6	-35	0	0	0	113.5	P272 H433 P434 Y444	P272-P525 HydrophobicContact CB-CG 4.12Å; P272-P525 HydrophobicContact CG-CG 3.9Å; H433-P525 PolarHBondContact CD2-O 2.84Å; P434-P525 WeakPolarHBondContact CD-O 3.28Å; P434-P525 HydrophobicContact CG-CB 4.11Å; Y444-P525 WeakPolarHBondContact OH-CA 3.13Å; Y444-P525 PolarHBondContact OH-O 2.9Å
526	V	96.5	Very high	92.8	Very high	13 Å²	13	26.4 Å²	26.4	8%	0.079	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-40.3	-177.4	-179.8	0	0	0	0	112.4	I270 P272 I275 H433 E524	I270-V526 HydrophobicContact CB-CB 3.96Å; I270-V526 HydrophobicContact CB-CG1 3.86Å; I270-V526 HydrophobicContact CB-CG2 4.27Å; I270-V526 HydrophobicContact CD1-CG1 4.21Å; I270-V526 HydrophobicContact CG2-CB 4.24Å; I270-V526 HydrophobicContact CG2-CG1 3.77Å; I270-V526 HydrophobicContact CG2-CG2 4.27Å; I270-V526 WeakPolarHBondContact O-CG2 3.18Å; P272-V526 HydrophobicContact CB-CG2 4.14Å; I275-V526 HydrophobicContact CD1-CB 4.24Å; I275-V526 HydrophobicContact CD1-CG1 3.65Å; I275-V526 HydrophobicContact CD1-CG2 3.72Å; I275-V526 HydrophobicContact CG1-CG2 4.4Å; H433-V526 WeakPolarHBondContact NE2-CA 2.94Å; H433-V526 PolarHBondContact NE2-O 3.36Å; E524-V526 VanDerWaalsContact C-N 3.32Å; E524-V526 PolarHBondContact O-N 2.99Å
527	D	94.7	Very high	91.9	Very high	19 Å²	19	23.9 Å²	23.9	10%	0.102	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-22.4	178.1	61.1	52.4	0	0	0	114	F268 M463 E524 F529 H530	F268-D527 WeakPolarHBondContact CD1-OD2 3.24Å; M463-D527 VanDerWaalsContact CE-O 3.27Å; M463-D527 WeakPolarHBondContact CE-O 3.37Å; E524-D527 WeakPolarHBondContact CB-OD1 3.34Å; D527-F529 PolarHBondContact O-N 3.49Å; D527-F529 WeakPolarHBondContact OD1-CA 2.86Å; D527-F529 WeakPolarHBondContact OD1-CB 3.38Å; D527-F529 PolarHBondContact OD1-N 3.03Å; D527-H530 VanDerWaalsContact CG-ND1 3.32Å; D527-H530 PolarHBondContact OD1-N 2.66Å; D527-H530 IonicContact OD1-ND1 3.54Å; D527-H530 IonicContact OD2-CE1 2.73Å; D527-H530 IonicContact OD2-CG 3.49Å; D527-H530 IonicContact OD2-ND1 3.64Å; D527-H530 PolarHBondContact OD2-ND1 2.67Å
528	G	97.1	Very high	90.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	67.8	16.7	-178	0	0	0	0	0	114.2	L428 Y448 I523 E524	L428-G528 VanDerWaalsContact CD1-O 3.32Å; L428-G528 WeakPolarHBondContact CD1-O 3.2Å; Y448-G528 PolarHBondContact OH-O 2.95Å; I523-G528 VanDerWaalsContact CG2-C 3.42Å; E524-G528 WeakPolarHBondContact O-CA 3.17Å; E524-G528 PolarHBondContact O-N 3.39Å
529	F	97.1	Very high	89.6	Confident	21 Å²	21	19.5 Å²	19.5	9%	0.092	9%	0.092	C	C	.	.	S	Bend	trans	-129.9	-53.9	-167.8	177.2	-112.7	0	0	0	112.7	L424 P458 C459 W462 M463 D527	L424-F529 HydrophobicContact CD1-CD2 3.55Å; L424-F529 HydrophobicContact CD1-CE2 4.04Å; L424-F529 WeakPolarHBondContact CD2-O 3.3Å; P458-F529 HydrophobicContact CB-CD1 4.18Å; P458-F529 HydrophobicContact CB-CE1 4.4Å; P458-F529 HydrophobicContact CG-CB 4.34Å; P458-F529 HydrophobicContact CG-CD1 4.17Å; P458-F529 HydrophobicContact CG-CG 4.2Å; C459-F529 HydrophobicContact CB-CD2 3.86Å; C459-F529 HydrophobicContact CB-CE2 3.3Å; C459-F529 HydrophobicContact CB-CZ 3.8Å; W462-F529 HydrophobicContact CE3-CE2 4.28Å; M463-F529 HydrophobicContact CE-CB 4.02Å; M463-F529 HydrophobicContact CG-CD2 4.27Å; M463-F529 HydrophobicContact SD-CB 3.79Å; M463-F529 HydrophobicContact SD-CD2 3.64Å; M463-F529 HydrophobicContact SD-CG 3.9Å; D527-F529 PolarHBondContact O-N 3.49Å; D527-F529 WeakPolarHBondContact OD1-CA 2.86Å; D527-F529 WeakPolarHBondContact OD1-CB 3.38Å; D527-F529 PolarHBondContact OD1-N 3.03Å
530	H	95.9	Very high	88.2	Confident	11 Å²	11	19.5 Å²	19.5	5%	0.051	9%	0.091	C	C	.	.	S	Bend	trans	-75.1	150.1	-171.3	-65.4	113.2	0	0	0	112.7	S263 F268 I523 E524 D527 N532	S263-H530 VanDerWaalsContact CB-NE2 3.29Å; S263-H530 WeakPolarHBondContact CB-NE2 3.43Å; S263-H530 PolarHBondContact OG-CD2 3.23Å; S263-H530 PolarHBondContact OG-NE2 3.07Å; F268-H530 AromaticContact CD1-CE1 3.51Å; F268-H530 AromaticContact CD1-ND1 3.35Å; F268-H530 WeakPolarHBondContact CD1-ND1 3.38Å; F268-H530 AromaticContact CG-CE1 3.88Å; F268-H530 AromaticContact CG-ND1 4Å; I523-H530 CarbonylContact C-O 3.5Å; I523-H530 WeakPolarHBondContact CA-O 3.14Å; I523-H530 WeakPolarHBondContact CG2-O 3.17Å; E524-H530 HydrophobicContact CB-CB 4.21Å; E524-H530 HydrophobicContact CG-CB 3.88Å; E524-H530 PolarHBondContact N-O 3.41Å; D527-H530 VanDerWaalsContact CG-ND1 3.32Å; D527-H530 PolarHBondContact OD1-N 2.66Å; D527-H530 IonicContact OD1-ND1 3.54Å; D527-H530 IonicContact OD2-CE1 2.73Å; D527-H530 IonicContact OD2-CG 3.49Å; D527-H530 IonicContact OD2-ND1 3.64Å; D527-H530 PolarHBondContact OD2-ND1 2.67Å; H530-N532 PolarHBondContact O-N 3.33Å
531	P	94.3	Very high	86.4	Confident	14 Å²	14	15.5 Å²	15.5	9%	0.091	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-67.5	124.8	165.8	29.9	-32.9	0	0	0	110	A264 K535	A264-P531 HydrophobicContact CB-CG 3.55Å; P531-K535 HydrophobicContact CB-CB 3.95Å; P531-K535 HydrophobicContact CB-CD 3.54Å; P531-K535 HydrophobicContact CB-CG 3.79Å
532	N	91.7	Very high	84.5	Confident	13 Å²	13	14.2 Å²	14.2	7%	0.07	7%	0.072	C	C	.	.			trans	-76.5	177.3	177.9	70.2	27	0	0	0	113.3	Q521 L522 I523 E524 H530 R534 K535 S536	Q521-N532 PolarHBondContact O-ND2 3.2Å; L522-N532 VanDerWaalsContact C-ND2 3.32Å; L522-N532 PolarHBondContact O-N 3.31Å; L522-N532 VanDerWaalsContact O-N 3.15Å; I523-N532 PolarHBondContact N-ND2 3.41Å; I523-N532 PolarHBondContact O-ND2 3Å; E524-N532 HydrophobicContact CG-CB 3.99Å; E524-N532 WeakPolarHBondContact OE1-CA 3.18Å; E524-N532 WeakPolarHBondContact OE1-CB 3.31Å; H530-N532 PolarHBondContact O-N 3.33Å; N532-R534 PolarHBondContact O-N 3.14Å; N532-R534 VanDerWaalsContact O-N 3.16Å; N532-R534 WeakPolarHBondContact OD1-CB 3.48Å; N532-R534 PolarHBondContact OD1-N 3.46Å; N532-R534 VanDerWaalsContact OD1-N 3.16Å; N532-K535 PolarHBondContact O-N 3.13Å; N532-K535 PolarHBondContact OD1-N 2.62Å; N532-S536 PolarHBondContact O-N 2.86Å
533	E	89.1	Confident	82.7	Confident	8 Å²	8	14.6 Å²	14.6	4%	0.037	7%	0.074	C	C	.	.	H	α-helix	trans	-48.3	-46	-178.3	-157.3	-163.1	133.5	0	0	112.1	H267 S310 T311 V312 K535 S536 I537	H267-E533 PolarHBondContact CE1-N 3.19Å; H267-E533 WeakPolarHBondContact NE2-CB 3.29Å; S310-E533 WeakPolarHBondContact CA-OE1 3.39Å; S310-E533 WeakPolarHBondContact CB-OE1 3.39Å; S310-E533 PolarHBondContact OG-OE1 3.07Å; T311-E533 WeakPolarHBondContact CB-OE2 3.36Å; T311-E533 PolarHBondContact N-OE1 3.35Å; T311-E533 VanDerWaalsContact N-OE1 3.09Å; T311-E533 PolarHBondContact N-OE2 3.45Å; T311-E533 PolarHBondContact OG1-OE2 2.83Å; V312-E533 HydrophobicContact CG1-CB 4.3Å; V312-E533 HydrophobicContact CG2-CB 4.41Å; V312-E533 HydrophobicContact CG2-CG 4.4Å; E533-K535 PolarHBondContact O-N 2.95Å; E533-S536 PolarHBondContact O-N 3.27Å; E533-I537 HydrophobicContact CG-CD1 3.88Å; E533-I537 WeakPolarHBondContact O-CB 3.44Å; E533-I537 WeakPolarHBondContact O-CG1 3.38Å; E533-I537 PolarHBondContact O-N 3.01Å; E533-I537 WeakPolarHBondContact OE1-CD1 3.37Å
534	R	86.1	Confident	80.5	Confident	77 Å²	77	17.2 Å²	17.2	29%	0.291	9%	0.087	S	C	.	.	H	α-helix	trans	-57	-48.4	179	-54.6	-172	177.9	107	5.4	111.3	V312 I314 Q521 L522 N532 L538	V312-R534 HydrophobicContact CB-CG 3.84Å; V312-R534 HydrophobicContact CG1-CG 3.78Å; V312-R534 HydrophobicContact CG2-CG 3.87Å; I314-R534 HydrophobicContact CD1-CB 3.79Å; I314-R534 HydrophobicContact CD1-CG 3.77Å; Q521-R534 PolarHBondContact O-NH1 3.19Å; L522-R534 HydrophobicContact CD2-CB 4.17Å; N532-R534 PolarHBondContact O-N 3.14Å; N532-R534 VanDerWaalsContact O-N 3.16Å; N532-R534 WeakPolarHBondContact OD1-CB 3.48Å; N532-R534 PolarHBondContact OD1-N 3.46Å; N532-R534 VanDerWaalsContact OD1-N 3.16Å; R534-L538 WeakPolarHBondContact O-CB 3.34Å; R534-L538 VanDerWaalsContact O-CG 3.22Å; R534-L538 WeakPolarHBondContact O-CG 3.27Å; R534-L538 PolarHBondContact O-N 2.91Å
535	K	79.6	Confident	78.2	Confident	7 Å²	7	21.8 Å²	21.8	3%	0.03	12%	0.116	C	C	.	.	H	α-helix	trans	-70.7	-40.4	-178.6	-173.4	172.2	159.2	-160.8	0	111.9	I508 L522 P531 N532 E533 I537 L538 L539	I508-K535 HydrophobicContact CG2-CG 4.22Å; L522-K535 HydrophobicContact CB-CB 3.98Å; L522-K535 HydrophobicContact CB-CD 3.95Å; L522-K535 HydrophobicContact CB-CG 4.31Å; L522-K535 HydrophobicContact CD2-CB 4.13Å; L522-K535 WeakPolarHBondContact O-CB 3.33Å; L522-K535 WeakPolarHBondContact O-CD 3.42Å; P531-K535 HydrophobicContact CB-CB 3.95Å; P531-K535 HydrophobicContact CB-CD 3.54Å; P531-K535 HydrophobicContact CB-CG 3.79Å; N532-K535 PolarHBondContact O-N 3.13Å; N532-K535 PolarHBondContact OD1-N 2.62Å; E533-K535 PolarHBondContact O-N 2.95Å; K535-I537 VanDerWaalsContact C-N 3.31Å; K535-I537 PolarHBondContact O-N 3.24Å; K535-L538 PolarHBondContact O-N 2.89Å; K535-L539 WeakPolarHBondContact O-CB 3.47Å; K535-L539 PolarHBondContact O-N 2.59Å
536	S	75.9	Confident	75.6	Confident	3 Å²	3	21.9 Å²	21.9	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-61.3	-41.1	178.1	-162.7	0	0	0	0	111.4	G303 N532 E533	G303-S536 PolarHBondContact N-OG 2.83Å; G303-S536 VanDerWaalsContact N-OG 3.14Å; N532-S536 PolarHBondContact O-N 2.86Å; E533-S536 PolarHBondContact O-N 3.27Å
537	I	73.4	Confident	72.9	Confident	8 Å²	8	28.1 Å²	28.1	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-71.7	-47.6	175.6	-69.9	174.3	0	0	0	111.7	I314 E316 E533 K535 K540 G541	I314-I537 HydrophobicContact CG2-CG2 4.09Å; E316-I537 HydrophobicContact CB-CG2 3.37Å; E316-I537 WeakPolarHBondContact O-CG2 3.33Å; E533-I537 HydrophobicContact CG-CD1 3.88Å; E533-I537 WeakPolarHBondContact O-CB 3.44Å; E533-I537 WeakPolarHBondContact O-CG1 3.38Å; E533-I537 PolarHBondContact O-N 3.01Å; E533-I537 WeakPolarHBondContact OE1-CD1 3.37Å; K535-I537 VanDerWaalsContact C-N 3.31Å; K535-I537 PolarHBondContact O-N 3.24Å; I537-K540 PolarHBondContact O-N 3.29Å; I537-G541 PolarHBondContact O-N 2.62Å
538	L	73.3	Confident	70.2	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-45.2	-179	-75.7	169.8	0	0	0	112.7	I508 E511 W512 L522 R534 K535 K540 G541 I542	I508-L538 HydrophobicContact CG2-CB 3.87Å; I508-L538 HydrophobicContact CG2-CD1 4.3Å; E511-L538 HydrophobicContact CG-CD2 4.47Å; W512-L538 HydrophobicContact CB-CD1 4.26Å; W512-L538 HydrophobicContact CD2-CD1 4.37Å; W512-L538 HydrophobicContact CE3-CD1 3.85Å; L522-L538 HydrophobicContact CD2-CD1 4.13Å; R534-L538 WeakPolarHBondContact O-CB 3.34Å; R534-L538 VanDerWaalsContact O-CG 3.22Å; R534-L538 WeakPolarHBondContact O-CG 3.27Å; R534-L538 PolarHBondContact O-N 2.91Å; K535-L538 PolarHBondContact O-N 2.89Å; L538-K540 PolarHBondContact O-N 3.43Å; L538-G541 PolarHBondContact O-N 2.93Å; L538-I542 WeakPolarHBondContact O-CG1 3.25Å; L538-I542 PolarHBondContact O-N 2.98Å
539	L	67.4	Low	67.6	Low	9 Å²	9	32 Å²	32	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-47.1	-52.1	172.6	171.8	58.3	0	0	0	110	F503 I508 K535 I542 L543	F503-L539 HydrophobicContact CE2-CD2 3.86Å; F503-L539 HydrophobicContact CZ-CD2 3.8Å; I508-L539 HydrophobicContact CD1-CB 3.57Å; I508-L539 HydrophobicContact CD1-CD1 3.68Å; I508-L539 HydrophobicContact CD1-CG 4.13Å; I508-L539 HydrophobicContact CG1-CB 4.32Å; K535-L539 WeakPolarHBondContact O-CB 3.47Å; K535-L539 PolarHBondContact O-N 2.59Å; L539-I542 PolarHBondContact O-N 3.37Å; L539-L543 HydrophobicContact CD1-CD1 3.83Å; L539-L543 HydrophobicContact CD1-CG 4.39Å; L539-L543 HydrophobicContact CG-CD1 3.8Å; L539-L543 VanDerWaalsContact O-CD1 3.24Å; L539-L543 WeakPolarHBondContact O-CD1 3.49Å; L539-L543 WeakPolarHBondContact O-CG 3.19Å; L539-L543 PolarHBondContact O-N 2.83Å; L539-L543 VanDerWaalsContact O-N 3.1Å
540	K	64.1	Low	64.9	Low	10 Å²	10	34.3 Å²	34.3	4%	0.043	18%	0.181	C	C	.	.	H	α-helix	trans	-84	-16	-172.5	-67.7	170.2	-175.6	159.8	0	114.3	G303 A304 I319 I537 L538 L543	G303-K540 WeakPolarHBondContact O-CD 3.28Å; A304-K540 HydrophobicContact CB-CD 4.13Å; I319-K540 HydrophobicContact CD1-CB 4.1Å; I319-K540 HydrophobicContact CD1-CD 4Å; I319-K540 HydrophobicContact CD1-CG 3.94Å; I319-K540 HydrophobicContact CG1-CB 3.93Å; I319-K540 HydrophobicContact CG1-CD 4.34Å; I319-K540 HydrophobicContact CG1-CG 4.29Å; I537-K540 PolarHBondContact O-N 3.29Å; L538-K540 PolarHBondContact O-N 3.43Å; K540-L543 HydrophobicContact CB-CD1 4.28Å; K540-L543 HydrophobicContact CG-CD1 3.69Å
541	G	57.3	Low	62.3	Low	7 Å²	7	37.3 Å²	37.3	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-50.2	160.6	0	0	0	0	0	111.6	I537 L538 L543 M544 T545	I537-G541 PolarHBondContact O-N 2.62Å; L538-G541 PolarHBondContact O-N 2.93Å; G541-L543 PolarHBondContact O-N 3.27Å; G541-M544 PolarHBondContact O-N 3.33Å; G541-T545 PolarHBondContact O-N 2.85Å; G541-T545 PolarHBondContact O-OG1 3.13Å
542	I	55.8	Low	59.8	Low	26 Å²	26	40.9 Å²	40.9	13%	0.133	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-44.8	-178.6	-68.3	169.2	0	0	0	111.3	E507 I508 E511 L538 L539 M544 T545 S546	E507-I542 HydrophobicContact CB-CD1 4.27Å; E507-I542 WeakPolarHBondContact OE2-CG2 3.25Å; I508-I542 HydrophobicContact CB-CD1 4.41Å; I508-I542 HydrophobicContact CG1-CD1 3.78Å; E511-I542 HydrophobicContact CB-CD1 4.35Å; L538-I542 WeakPolarHBondContact O-CG1 3.25Å; L538-I542 PolarHBondContact O-N 2.98Å; L539-I542 PolarHBondContact O-N 3.37Å; I542-M544 PolarHBondContact O-N 3.24Å; I542-T545 WeakPolarHBondContact CA-OG1 3.1Å; I542-T545 PolarHBondContact O-N 2.84Å; I542-T545 PolarHBondContact O-OG1 2.84Å; I542-S546 PolarHBondContact O-N 2.79Å; I542-S546 PolarHBondContact O-OG 3.14Å
543	L	57.3	Low	57.4	Low	8 Å²	8	43.1 Å²	43.1	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-56.5	-21.2	178.9	-72.5	156.9	0	0	0	115.3	Y416 M501 L539 K540 G541 S546	Y416-L543 HydrophobicContact CE1-CD1 3.66Å; Y416-L543 HydrophobicContact CE1-CD2 4.24Å; Y416-L543 HydrophobicContact CE2-CD2 4.45Å; Y416-L543 WeakPolarHBondContact OH-CD1 3.43Å; M501-L543 HydrophobicContact CB-CD2 4.37Å; M501-L543 HydrophobicContact CE-CD2 3.42Å; M501-L543 VanDerWaalsContact CE-CD2 3.42Å; M501-L543 HydrophobicContact SD-CD2 3.63Å; L539-L543 HydrophobicContact CD1-CD1 3.83Å; L539-L543 HydrophobicContact CD1-CG 4.39Å; L539-L543 HydrophobicContact CG-CD1 3.8Å; L539-L543 VanDerWaalsContact O-CD1 3.24Å; L539-L543 WeakPolarHBondContact O-CD1 3.49Å; L539-L543 WeakPolarHBondContact O-CG 3.19Å; L539-L543 PolarHBondContact O-N 2.83Å; L539-L543 VanDerWaalsContact O-N 3.1Å; K540-L543 HydrophobicContact CB-CD1 4.28Å; K540-L543 HydrophobicContact CG-CD1 3.69Å; G541-L543 PolarHBondContact O-N 3.27Å; L543-S546 PolarHBondContact O-OG 2.87Å; L543-S546 VanDerWaalsContact O-OG 3.06Å
544	M	51.4	Low	54.8	Low	62 Å²	62	50.2 Å²	50.2	31%	0.305	25%	0.25	S	C	.	.	H	α-helix	trans	-107.2	-12.7	176.6	-66.5	-136.4	167	0	0	113.8	I319 G541 I542 L549	I319-M544 HydrophobicContact CB-CE 4.31Å; I319-M544 HydrophobicContact CD1-CE 4.45Å; I319-M544 HydrophobicContact CG1-CE 4.16Å; I319-M544 HydrophobicContact CG2-CE 3.49Å; I319-M544 VanDerWaalsContact CG2-CE 3.49Å; G541-M544 PolarHBondContact O-N 3.33Å; I542-M544 PolarHBondContact O-N 3.24Å; M544-L549 HydrophobicContact CE-CD1 3.64Å; M544-L549 HydrophobicContact CG-CD1 4.21Å; M544-L549 HydrophobicContact SD-CD1 4.28Å
545	T	47.5	Very low	52.4	Low	101 Å²	101	50.6 Å²	50.6	62%	0.62	26%	0.261	S	S	*	.	H	α-helix	trans	-87.7	-25.4	166.6	51.4	0	0	0	0	112.7	G541 I542 Q547	G541-T545 PolarHBondContact O-N 2.85Å; G541-T545 PolarHBondContact O-OG1 3.13Å; I542-T545 WeakPolarHBondContact CA-OG1 3.1Å; I542-T545 PolarHBondContact O-N 2.84Å; I542-T545 PolarHBondContact O-OG1 2.84Å; T545-Q547 PolarHBondContact O-N 2.74Å
546	S	43.1	Very low	50.4	Low	40 Å²	40	54.9 Å²	54.9	28%	0.28	28%	0.281	S	S	.	.	S	Bend	trans	-61	121.9	163.1	62.4	0	0	0	0	107.3	I542 L543 T548	I542-S546 PolarHBondContact O-N 2.79Å; I542-S546 PolarHBondContact O-OG 3.14Å; L543-S546 PolarHBondContact O-OG 2.87Å; L543-S546 VanDerWaalsContact O-OG 3.06Å; S546-T548 PolarHBondContact O-N 2.95Å; S546-T548 PolarHBondContact O-OG1 3.49Å; S546-T548 PolarHBondContact OG-OG1 2.78Å
547	Q	38.3	Very low	48.3	Very low	143 Å²	143	59.3 Å²	59.3	67%	0.668	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	4.1	-168.7	-59.9	172.6	-21.8	0	0	114.6	T545 L549 N551	T545-Q547 PolarHBondContact O-N 2.74Å; Q547-L549 PolarHBondContact O-N 3.02Å; Q547-N551 WeakPolarHBondContact CB-ND2 3.34Å; Q547-N551 WeakPolarHBondContact O-CA 3.33Å; Q547-N551 WeakPolarHBondContact O-CB 3.46Å; Q547-N551 PolarHBondContact O-N 2.69Å; Q547-N551 PolarHBondContact OE1-ND2 3.41Å
548	T	39.7	Very low	46.3	Very low	53 Å²	53	61 Å²	61	33%	0.325	32%	0.315	S	S	.	.	H	α-helix	trans	-55.6	-46.6	-174.7	39.7	0	0	0	0	114.4	S546 Q552	S546-T548 PolarHBondContact O-N 2.95Å; S546-T548 PolarHBondContact O-OG1 3.49Å; S546-T548 PolarHBondContact OG-OG1 2.78Å; T548-Q552 VanDerWaalsContact O-CB 3.28Å; T548-Q552 WeakPolarHBondContact O-CB 3.44Å; T548-Q552 WeakPolarHBondContact O-CG 3.37Å; T548-Q552 PolarHBondContact O-N 2.86Å
549	L	41.7	Very low	44.3	Very low	49 Å²	49	64.6 Å²	64.6	26%	0.257	34%	0.34	S	S	.	.	H	α-helix	trans	-71.4	-50	-176.3	-82.7	160.5	0	0	0	112.3	I414 M544 Q547	I414-L549 HydrophobicContact CD1-CD2 4.32Å; M544-L549 HydrophobicContact CE-CD1 3.64Å; M544-L549 HydrophobicContact CG-CD1 4.21Å; M544-L549 HydrophobicContact SD-CD1 4.28Å; Q547-L549 PolarHBondContact O-N 3.02Å
550	D	40.1	Very low	42.6	Very low	69 Å²	69	72.2 Å²	72.2	37%	0.369	37%	0.368	S	S	.	.	H	α-helix	trans	-69.5	-40.7	176	-87.7	-46.1	0	0	0	111.9	R326 W554	R326-D550 IonicContact CZ-OD1 3.94Å; R326-D550 VanDerWaalsContact CZ-OD1 3.25Å; R326-D550 VanDerWaalsContact NH1-CG 3.33Å; R326-D550 IonicContact NH1-OD1 3.39Å; R326-D550 PolarHBondContact NH1-OD1 3.4Å; R326-D550 IonicContact NH1-OD2 3.26Å; R326-D550 PolarHBondContact NH1-OD2 3.16Å; R326-D550 IonicContact NH2-OD1 3.74Å; R326-D550 PolarHBondContact NH2-OD1 3.01Å; D550-W554 VanDerWaalsContact O-CB 3.29Å; D550-W554 WeakPolarHBondContact O-CB 3.49Å; D550-W554 PolarHBondContact O-N 2.91Å
551	N	41.2	Very low	41.1	Very low	74 Å²	74	75 Å²	75	40%	0.396	38%	0.383	S	S	.	.	H	α-helix	trans	-72	-31.2	179.5	-79.4	-18.1	0	0	0	113.6	Q547 W554 T555	Q547-N551 WeakPolarHBondContact CB-ND2 3.34Å; Q547-N551 WeakPolarHBondContact O-CA 3.33Å; Q547-N551 WeakPolarHBondContact O-CB 3.46Å; Q547-N551 PolarHBondContact O-N 2.69Å; Q547-N551 PolarHBondContact OE1-ND2 3.41Å; N551-W554 PolarHBondContact O-N 3.4Å; N551-T555 WeakPolarHBondContact O-CA 3.16Å; N551-T555 WeakPolarHBondContact O-CB 3.3Å; N551-T555 PolarHBondContact O-N 3.38Å; N551-T555 PolarHBondContact O-OG1 3.44Å
552	Q	42	Very low	39.8	Very low	89 Å²	89	82.6 Å²	82.6	42%	0.416	41%	0.414	S	S	.	.	H	α-helix	trans	-75.8	-36.1	179.9	-75.7	-176.7	-68.1	0	0	112.3	F499 T548 Q556	F499-Q552 HydrophobicContact CE1-CB 4.04Å; F499-Q552 VanDerWaalsContact CE1-CD 3.5Å; F499-Q552 HydrophobicContact CE1-CG 4.36Å; T548-Q552 VanDerWaalsContact O-CB 3.28Å; T548-Q552 WeakPolarHBondContact O-CB 3.44Å; T548-Q552 WeakPolarHBondContact O-CG 3.37Å; T548-Q552 PolarHBondContact O-N 2.86Å; Q552-Q556 WeakPolarHBondContact O-CB 3.32Å; Q552-Q556 WeakPolarHBondContact O-CG 3.5Å; Q552-Q556 PolarHBondContact O-N 2.69Å
553	E	41.3	Very low	38.5	Very low	59 Å²	59	84.3 Å²	84.3	28%	0.276	44%	0.438	S	S	.	.	H	α-helix	trans	-62.2	-49.3	164.8	-77.1	-170.6	153.2	0	0	110.5	R255 H412 T555 Q556 L557	R255-E553 IonicContact CZ-OE1 3.4Å; R255-E553 VanDerWaalsContact CZ-OE1 3.26Å; R255-E553 IonicContact NH1-OE1 3.11Å; R255-E553 PolarHBondContact NH1-OE1 3.2Å; R255-E553 IonicContact NH2-OE1 3.99Å; R255-E553 PolarHBondContact NH2-OE1 3.09Å; R255-E553 IonicContact NH2-OE2 3.51Å; H412-E553 IonicContact CE1-OE1 2.69Å; H412-E553 IonicContact NE2-OE1 3.99Å; E553-T555 VanDerWaalsContact C-N 3.33Å; E553-T555 PolarHBondContact O-N 2.99Å; E553-Q556 PolarHBondContact O-N 3.07Å; E553-L557 VanDerWaalsContact O-CB 3.31Å; E553-L557 WeakPolarHBondContact O-CB 3.33Å; E553-L557 PolarHBondContact O-N 2.84Å
554	W	33.8	Very low	37.2	Very low	157 Å²	157	89 Å²	89	60%	0.595	46%	0.463	S	S	*	.	H	α-helix	trans	-61.8	-33.1	177.5	-97.3	98.2	0	0	0	114.8	D550 N551 T558	D550-W554 VanDerWaalsContact O-CB 3.29Å; D550-W554 WeakPolarHBondContact O-CB 3.49Å; D550-W554 PolarHBondContact O-N 2.91Å; N551-W554 PolarHBondContact O-N 3.4Å; W554-T558 HydrophobicContact CE3-CG2 3.9Å; W554-T558 HydrophobicContact CZ3-CG2 4.17Å; W554-T558 WeakPolarHBondContact O-CB 3.33Å; W554-T558 WeakPolarHBondContact O-CG2 3.41Å; W554-T558 PolarHBondContact O-N 3.45Å; W554-T558 PolarHBondContact O-OG1 3.13Å
555	T	35.7	Very low	36	Very low	85 Å²	85	91.5 Å²	91.5	52%	0.521	48%	0.477	S	S	.	.	H	α-helix	trans	-78.2	-36.8	180	-57.1	0	0	0	0	110.6	N551 E553 T558 S559	N551-T555 WeakPolarHBondContact O-CA 3.16Å; N551-T555 WeakPolarHBondContact O-CB 3.3Å; N551-T555 PolarHBondContact O-N 3.38Å; N551-T555 PolarHBondContact O-OG1 3.44Å; E553-T555 VanDerWaalsContact C-N 3.33Å; E553-T555 PolarHBondContact O-N 2.99Å; T555-T558 WeakPolarHBondContact CA-OG1 3.31Å; T555-T558 PolarHBondContact O-OG1 2.91Å; T555-S559 WeakPolarHBondContact O-CB 3.31Å; T555-S559 PolarHBondContact O-N 3.26Å
556	Q	38.5	Very low	35.2	Very low	97 Å²	97	93.2 Å²	93.2	45%	0.453	49%	0.488	S	S	.	.	H	α-helix	trans	-68.1	-42.2	169.3	-72.8	-170.6	-5	0	0	111.3	N497 Q552 E553 S559 W560	N497-Q556 PolarHBondContact ND2-OE1 3.04Å; Q552-Q556 WeakPolarHBondContact O-CB 3.32Å; Q552-Q556 WeakPolarHBondContact O-CG 3.5Å; Q552-Q556 PolarHBondContact O-N 2.69Å; E553-Q556 PolarHBondContact O-N 3.07Å; Q556-S559 PolarHBondContact O-N 3.07Å; Q556-W560 VanDerWaalsContact O-CB 3.3Å; Q556-W560 WeakPolarHBondContact O-CB 3.37Å; Q556-W560 PolarHBondContact O-N 3.45Å
557	L	32.3	Very low	34.6	Very low	96 Å²	96	95.3 Å²	95.3	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-45.9	176.1	-144.9	84.5	0	0	0	111.4	E553 S559 W560 I561	E553-L557 VanDerWaalsContact O-CB 3.31Å; E553-L557 WeakPolarHBondContact O-CB 3.33Å; E553-L557 PolarHBondContact O-N 2.84Å; L557-S559 PolarHBondContact O-N 3.45Å; L557-W560 PolarHBondContact O-N 3.14Å; L557-I561 HydrophobicContact CD2-CD1 4.33Å; L557-I561 HydrophobicContact CG-CD1 4.29Å; L557-I561 WeakPolarHBondContact O-CB 3.26Å; L557-I561 WeakPolarHBondContact O-CD1 3.46Å; L557-I561 WeakPolarHBondContact O-CG1 3.35Å; L557-I561 PolarHBondContact O-N 3.41Å
558	T	30	Very low	34.4	Very low	44 Å²	44	96 Å²	96	27%	0.27	51%	0.51	S	S	.	.	H	α-helix	trans	-71.6	-26.5	176.1	51.5	0	0	0	0	113.4	W554 T555 K562	W554-T558 HydrophobicContact CE3-CG2 3.9Å; W554-T558 HydrophobicContact CZ3-CG2 4.17Å; W554-T558 WeakPolarHBondContact O-CB 3.33Å; W554-T558 WeakPolarHBondContact O-CG2 3.41Å; W554-T558 PolarHBondContact O-N 3.45Å; W554-T558 PolarHBondContact O-OG1 3.13Å; T555-T558 WeakPolarHBondContact CA-OG1 3.31Å; T555-T558 PolarHBondContact O-OG1 2.91Å; T558-K562 VanDerWaalsContact O-CB 3.27Å; T558-K562 WeakPolarHBondContact O-CB 3.1Å; T558-K562 VanDerWaalsContact O-CD 3.29Å; T558-K562 WeakPolarHBondContact O-CD 3.29Å; T558-K562 WeakPolarHBondContact O-CG 3.27Å; T558-K562 PolarHBondContact O-N 3.22Å
559	S	31.7	Very low	34.5	Very low	78 Å²	78	97.2 Å²	97.2	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-69.8	-42.5	169.8	-167.5	0	0	0	0	111.4	T555 Q556 L557 K562 G563	T555-S559 WeakPolarHBondContact O-CB 3.31Å; T555-S559 PolarHBondContact O-N 3.26Å; Q556-S559 PolarHBondContact O-N 3.07Å; L557-S559 PolarHBondContact O-N 3.45Å; S559-K562 CarbonylContact O-C 3.58Å; S559-K562 PolarHBondContact O-N 3.33Å; S559-G563 PolarHBondContact O-N 2.94Å
560	W	32.9	Very low	34.2	Very low	170 Å²	170	105.4 Å²	105.4	64%	0.644	55%	0.548	S	S	*	.	H	α-helix	trans	-65	-44.8	175.8	-172.2	85.2	0	0	0	111.9	Q556 L557 K562 G563 N564	Q556-W560 VanDerWaalsContact O-CB 3.3Å; Q556-W560 WeakPolarHBondContact O-CB 3.37Å; Q556-W560 PolarHBondContact O-N 3.45Å; L557-W560 PolarHBondContact O-N 3.14Å; W560-K562 VanDerWaalsContact C-N 3.31Å; W560-K562 PolarHBondContact O-N 2.83Å; W560-G563 PolarHBondContact O-N 3.34Å; W560-G563 VanDerWaalsContact O-N 3.14Å; W560-N564 PolarHBondContact O-N 2.86Å
561	I	31.3	Very low	34	Very low	69 Å²	69	106.6 Å²	106.6	35%	0.354	56%	0.558	S	S	.	*	H	α-helix	trans	-60.6	-38.1	171.7	-69.8	164.7	0	0	0	111.2	L557 L565	L557-I561 HydrophobicContact CD2-CD1 4.33Å; L557-I561 HydrophobicContact CG-CD1 4.29Å; L557-I561 WeakPolarHBondContact O-CB 3.26Å; L557-I561 WeakPolarHBondContact O-CD1 3.46Å; L557-I561 WeakPolarHBondContact O-CG1 3.35Å; L557-I561 PolarHBondContact O-N 3.41Å; I561-L565 HydrophobicContact CG2-CD1 3.64Å; I561-L565 HydrophobicContact CG2-CG 4.48Å; I561-L565 WeakPolarHBondContact O-CB 3.45Å; I561-L565 WeakPolarHBondContact O-CD1 3.35Å; I561-L565 VanDerWaalsContact O-CG 3.31Å; I561-L565 WeakPolarHBondContact O-CG 3.43Å; I561-L565 PolarHBondContact O-N 2.99Å
562	K	30.4	Very low	34.1	Very low	166 Å²	166	110.4 Å²	110.4	72%	0.722	57%	0.567	S	S	*	*	H	α-helix	trans	-71.4	-29.4	174.6	-77.6	166.3	-173.8	169	0	113.5	T558 S559 W560	T558-K562 VanDerWaalsContact O-CB 3.27Å; T558-K562 WeakPolarHBondContact O-CB 3.1Å; T558-K562 VanDerWaalsContact O-CD 3.29Å; T558-K562 WeakPolarHBondContact O-CD 3.29Å; T558-K562 WeakPolarHBondContact O-CG 3.27Å; T558-K562 PolarHBondContact O-N 3.22Å; S559-K562 CarbonylContact O-C 3.58Å; S559-K562 PolarHBondContact O-N 3.33Å; W560-K562 VanDerWaalsContact C-N 3.31Å; W560-K562 PolarHBondContact O-N 2.83Å
563	G	29.2	Very low	34.1	Very low	62 Å²	62	113 Å²	113	64%	0.639	58%	0.579	S	S	*	*	H	α-helix	trans	-81.8	-36.6	-179.4	0	0	0	0	0	114	S559 W560	S559-G563 PolarHBondContact O-N 2.94Å; W560-G563 PolarHBondContact O-N 3.34Å; W560-G563 VanDerWaalsContact O-N 3.14Å
564	N	28.5	Very low	34	Very low	106 Å²	106	119 Å²	119	57%	0.567	60%	0.599	S	S	*	*	H	α-helix	trans	-98	-4.7	-175.9	-83.7	-8	0	0	0	115.1	W560 T566	W560-N564 PolarHBondContact O-N 2.86Å; N564-T566 PolarHBondContact O-N 3.5Å
565	L	26.3	Very low	34.2	Very low	114 Å²	114	117.3 Å²	117.3	60%	0.597	60%	0.601	S	S	*	*			trans	-90.6	84.6	171.2	-73.1	174.9	0	0	0	111.4	I561 C567	I561-L565 HydrophobicContact CG2-CD1 3.64Å; I561-L565 HydrophobicContact CG2-CG 4.48Å; I561-L565 WeakPolarHBondContact O-CB 3.45Å; I561-L565 WeakPolarHBondContact O-CD1 3.35Å; I561-L565 VanDerWaalsContact O-CG 3.31Å; I561-L565 WeakPolarHBondContact O-CG 3.43Å; I561-L565 PolarHBondContact O-N 2.99Å; L565-C567 PolarHBondContact O-SG 2.82Å; L565-C567 VanDerWaalsContact O-SG 3.36Å
566	T	31.6	Very low	34.3	Very low	138 Å²	138	116.3 Å²	116.3	85%	0.847	60%	0.597	S	S	*	*			trans	-54.8	137	154.9	41.7	0	0	0	0	109.3	N564	N564-T566 PolarHBondContact O-N 3.5Å
567	C	29.2	Very low	34.4	Very low	83 Å²	83	114.3 Å²	114.3	56%	0.561	59%	0.593	S	S	*	*			trans	-96.7	108.8	-155	-62.2	0	0	0	0	112.8	L565 R572	L565-C567 PolarHBondContact O-SG 2.82Å; L565-C567 VanDerWaalsContact O-SG 3.36Å; C567-R572 PolarHBondContact SG-NH1 3.39Å; C567-R572 PolarHBondContact SG-NH2 2.87Å
568	D	35.4	Very low	34.7	Very low	158 Å²	158	112.4 Å²	112.4	85%	0.845	59%	0.587	S	S	*	*			trans	-146.3	159.3	158.8	-158.9	4.8	0	0	0	112.5
569	S	41.1	Very low	34.9	Very low	79 Å²	79	119 Å²	119	55%	0.552	61%	0.607	S	S	*	*	S	Bend	trans	84.1	150.2	175.2	84.2	0	0	0	0	119.9	T571	S569-T571 VanDerWaalsContact C-N 3.25Å; S569-T571 PolarHBondContact O-N 3.42Å; S569-T571 VanDerWaalsContact O-N 3.13Å
570	R	35.7	Very low	35.2	Very low	220 Å²	220	121.1 Å²	121.1	83%	0.83	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-14.6	-165.3	-66.9	178.3	-179.5	171.4	1	115.8	R572 E573	R570-R572 PolarHBondContact O-N 3.24Å; R570-E573 PolarHBondContact O-N 2.97Å
571	T	36.9	Very low	35.6	Very low	95 Å²	95	118.9 Å²	118.9	58%	0.583	60%	0.602	S	S	*	*	H	α-helix	trans	-58.5	-23.7	-179.9	-30.4	0	0	0	0	112.2	S569 L575	S569-T571 VanDerWaalsContact C-N 3.25Å; S569-T571 PolarHBondContact O-N 3.42Å; S569-T571 VanDerWaalsContact O-N 3.13Å; T571-L575 PolarHBondContact O-N 3.27Å
572	R	42.8	Very low	35.8	Very low	153 Å²	153	122.5 Å²	122.5	58%	0.577	62%	0.621	S	S	*	*	H	α-helix	trans	-71.3	-33.5	-178.3	-152.5	-179.8	-166.6	-171.2	11.9	114.5	C567 R570 W574 C576	C567-R572 PolarHBondContact SG-NH1 3.39Å; C567-R572 PolarHBondContact SG-NH2 2.87Å; R570-R572 PolarHBondContact O-N 3.24Å; R572-W574 VanDerWaalsContact C-N 3.34Å; R572-C576 WeakPolarHBondContact O-CB 3.44Å; R572-C576 PolarHBondContact O-N 3.44Å
573	E	41.7	Very low	35.9	Very low	143 Å²	143	117.3 Å²	117.3	67%	0.668	61%	0.606	S	S	*	*	H	α-helix	trans	-65.9	-39.3	178.1	-71.3	-169.9	135.2	0	0	111.5	R570 C577	R570-E573 PolarHBondContact O-N 2.97Å; E573-C577 WeakPolarHBondContact O-CB 3.44Å; E573-C577 PolarHBondContact O-N 3.42Å; E573-C577 PolarHBondContact O-SG 3.4Å
574	W	39.3	Very low	36.1	Very low	185 Å²	185	117.9 Å²	117.9	70%	0.701	61%	0.611	S	S	*	*	H	α-helix	trans	-61.4	-52.9	176.1	-99	83.9	0	0	0	112.2	R572 C576 C577 C578	R572-W574 VanDerWaalsContact C-N 3.34Å; W574-C576 PolarHBondContact O-N 3.28Å; W574-C577 PolarHBondContact O-N 3.06Å; W574-C578 PolarHBondContact O-N 3.23Å
575	L	37.2	Very low	36.5	Very low	122 Å²	122	120 Å²	120	64%	0.639	62%	0.615	S	S	*	*	H	α-helix	trans	-64.8	-39.6	-179	-71.9	167.1	0	0	0	112.3	T571 W579	T571-L575 PolarHBondContact O-N 3.27Å; L575-W579 WeakPolarHBondContact O-CB 3.41Å; L575-W579 PolarHBondContact O-N 2.86Å
576	C	37.8	Very low	36.9	Very low	64 Å²	64	126 Å²	126	43%	0.432	63%	0.63	S	S	.	*	H	α-helix	trans	-66.2	-34.9	174.6	-80.9	0	0	0	0	113.2	R572 W574 R580	R572-C576 WeakPolarHBondContact O-CB 3.44Å; R572-C576 PolarHBondContact O-N 3.44Å; W574-C576 PolarHBondContact O-N 3.28Å; C576-R580 WeakPolarHBondContact O-CB 3.32Å; C576-R580 WeakPolarHBondContact O-CG 3.47Å; C576-R580 PolarHBondContact O-N 2.98Å; C576-R580 VanDerWaalsContact O-N 3.11Å
577	C	40.1	Very low	37.2	Very low	55 Å²	55	122.3 Å²	122.3	37%	0.372	61%	0.609	S	S	.	*	H	α-helix	trans	-69	-47.4	175.4	-72.9	0	0	0	0	111.9	E573 W574 W579 R580 I581	E573-C577 WeakPolarHBondContact O-CB 3.44Å; E573-C577 PolarHBondContact O-N 3.42Å; E573-C577 PolarHBondContact O-SG 3.4Å; W574-C577 PolarHBondContact O-N 3.06Å; C577-W579 VanDerWaalsContact C-N 3.32Å; C577-W579 PolarHBondContact O-N 3.39Å; C577-R580 PolarHBondContact O-N 2.91Å; C577-I581 VanDerWaalsContact O-CG1 3.31Å; C577-I581 WeakPolarHBondContact O-CG1 3.19Å; C577-I581 PolarHBondContact O-N 3.47Å
578	C	39.1	Very low	37.6	Very low	57 Å²	57	122.7 Å²	122.7	39%	0.385	61%	0.613	S	S	.	*	H	α-helix	trans	-57.7	-44.4	176.1	-70.6	0	0	0	0	111.8	W574 R580 I581 I582	W574-C578 PolarHBondContact O-N 3.23Å; C578-R580 PolarHBondContact O-N 2.89Å; C578-I581 PolarHBondContact O-N 3.4Å; C578-I582 VanDerWaalsContact O-CG1 3.3Å; C578-I582 WeakPolarHBondContact O-CG1 3.17Å; C578-I582 PolarHBondContact O-N 2.94Å
579	W	35.5	Very low	37.6	Very low	183 Å²	183	121.3 Å²	121.3	69%	0.693	62%	0.616	S	S	*	*	H	α-helix	trans	-66.1	-36.6	179	-171.9	61.4	0	0	0	113.4	L575 C577 S583	L575-W579 WeakPolarHBondContact O-CB 3.41Å; L575-W579 PolarHBondContact O-N 2.86Å; C577-W579 VanDerWaalsContact C-N 3.32Å; C577-W579 PolarHBondContact O-N 3.39Å; W579-S583 WeakPolarHBondContact O-CB 3.39Å; W579-S583 PolarHBondContact O-N 3.14Å; W579-S583 PolarHBondContact O-OG 3.3Å
580	R	37.3	Very low	37.6	Very low	122 Å²	122	122.6 Å²	122.6	46%	0.46	63%	0.625	S	S	.	*	H	α-helix	trans	-69.2	-36.2	175	-77.3	-176.8	177.1	-156.4	1.6	113.1	C576 C577 C578 S583 G584 K585	C576-R580 WeakPolarHBondContact O-CB 3.32Å; C576-R580 WeakPolarHBondContact O-CG 3.47Å; C576-R580 PolarHBondContact O-N 2.98Å; C576-R580 VanDerWaalsContact O-N 3.11Å; C577-R580 PolarHBondContact O-N 2.91Å; C578-R580 PolarHBondContact O-N 2.89Å; R580-S583 WeakPolarHBondContact CA-OG 3.34Å; R580-S583 CarbonylContact O-C 3.59Å; R580-S583 PolarHBondContact O-N 3Å; R580-S583 PolarHBondContact O-OG 3.01Å; R580-G584 PolarHBondContact O-N 2.94Å; R580-K585 PolarHBondContact O-N 3.24Å
581	I	40.1	Very low	37.6	Very low	122 Å²	122	114.7 Å²	114.7	63%	0.626	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-46.9	174.8	-68.3	164.7	0	0	0	110.6	C577 C578 S583 G584	C577-I581 VanDerWaalsContact O-CG1 3.31Å; C577-I581 WeakPolarHBondContact O-CG1 3.19Å; C577-I581 PolarHBondContact O-N 3.47Å; C578-I581 PolarHBondContact O-N 3.4Å; I581-S583 PolarHBondContact O-N 3.18Å; I581-G584 PolarHBondContact O-N 3.06Å; I581-G584 VanDerWaalsContact O-N 3.13Å
582	I	35.9	Very low	37.5	Very low	145 Å²	145	115.7 Å²	115.7	74%	0.744	62%	0.62	S	S	*	*	H	α-helix	trans	-63.8	-30.1	178	-66.8	164.9	0	0	0	111.8	C578	C578-I582 VanDerWaalsContact O-CG1 3.3Å; C578-I582 WeakPolarHBondContact O-CG1 3.17Å; C578-I582 PolarHBondContact O-N 2.94Å
583	S	32.8	Very low	37.2	Very low	58 Å²	58	117 Å²	117	41%	0.406	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93	12.4	176.1	57	0	0	0	0	115	W579 R580 I581 K585	W579-S583 WeakPolarHBondContact O-CB 3.39Å; W579-S583 PolarHBondContact O-N 3.14Å; W579-S583 PolarHBondContact O-OG 3.3Å; R580-S583 WeakPolarHBondContact CA-OG 3.34Å; R580-S583 CarbonylContact O-C 3.59Å; R580-S583 PolarHBondContact O-N 3Å; R580-S583 PolarHBondContact O-OG 3.01Å; I581-S583 PolarHBondContact O-N 3.18Å; S583-K585 VanDerWaalsContact C-N 3.3Å; S583-K585 PolarHBondContact O-N 2.89Å
584	G	33.9	Very low	37.1	Very low	73 Å²	73	114 Å²	114	75%	0.753	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.4	15.1	171.7	0	0	0	0	0	116	R580 I581	R580-G584 PolarHBondContact O-N 2.94Å; I581-G584 PolarHBondContact O-N 3.06Å; I581-G584 VanDerWaalsContact O-N 3.13Å
585	K	36.2	Very low	36.9	Very low	150 Å²	150	113.2 Å²	113.2	65%	0.652	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-100.8	130.3	-179.6	-68.1	-179.2	179.1	-180	0	110.7	R580 S583	R580-K585 PolarHBondContact O-N 3.24Å; S583-K585 VanDerWaalsContact C-N 3.3Å; S583-K585 PolarHBondContact O-N 2.89Å
586	R	35.3	Very low	36.8	Very low	241 Å²	241	114.6 Å²	114.6	91%	0.909	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-61.7	137.5	174.9	-79.1	-172.2	179.4	178.7	1.6	111
587	C	37.7	Very low	36.8	Very low	60 Å²	60	121.5 Å²	121.5	41%	0.405	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-73.5	151.5	166.3	-71.5	0	0	0	0	111
588	S	37.4	Very low	36.7	Very low	91 Å²	91	127.6 Å²	127.6	64%	0.636	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-68.1	149.7	173.9	-171.9	0	0	0	0	111	S590	S588-S590 PolarHBondContact O-N 3.22Å
589	S	36	Very low	36.6	Very low	130 Å²	130	129.3 Å²	129.3	91%	0.909	66%	0.661	S	S	*	*	S	Bend	trans	-78.5	34	-170.4	49.5	0	0	0	0	115.2
590	S	39.8	Very low	36.5	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	67%	0.668	S	S	*	*			trans	-127	50.5	-173.7	63.7	0	0	0	0	112.9	S588	S588-S590 PolarHBondContact O-N 3.22Å
591	G	36.3	Very low	36.6	Very low	54 Å²	54	129.3 Å²	129.3	56%	0.557	67%	0.674	S	S	*	*	S	Bend	trans	-126.9	167.3	172.3	0	0	0	0	0	112.3	K593	G591-K593 PolarHBondContact O-N 3.37Å
592	P	34.6	Very low	36.4	Very low	116 Å²	116	127.1 Å²	127.1	75%	0.753	67%	0.666	S	S	*	*			trans	-63.5	124.2	-167.2	-23.7	34.4	0	0	0	114.4	S594	P592-S594 PolarHBondContact O-N 3.2Å
593	K	37	Very low	36.4	Very low	181 Å²	181	125.9 Å²	125.9	79%	0.787	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	16.2	-176.7	-64.2	-178.3	175.5	178.3	0	116	G591	G591-K593 PolarHBondContact O-N 3.37Å
594	S	38.8	Very low	36.6	Very low	80 Å²	80	134.2 Å²	134.2	56%	0.559	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-22.4	-174.9	64.6	0	0	0	0	114.5	P592	P592-S594 PolarHBondContact O-N 3.2Å
595	W	35.4	Very low	36.7	Very low	168 Å²	168	135.1 Å²	135.1	64%	0.636	68%	0.677	S	S	*	*	S	Bend	trans	-83.4	-33.8	-177.1	-98.9	85.2	0	0	0	114.5	R597 R598	W595-R597 PolarHBondContact O-N 3.45Å; W595-R598 PolarHBondContact O-N 3.41Å
596	E	36.1	Very low	36.4	Very low	152 Å²	152	132.4 Å²	132.4	71%	0.71	67%	0.67	S	S	*	*	H	α-helix	trans	-60.9	-28.7	-179	-69.1	-174.6	134.9	0	0	113.4
597	R	37.6	Very low	36.3	Very low	209 Å²	209	131.1 Å²	131.1	79%	0.789	67%	0.666	S	S	*	*	H	α-helix	trans	-71.8	-27.7	174.3	-74.1	-173.6	-147.9	172.8	6	113.6	W595	W595-R597 PolarHBondContact O-N 3.45Å
598	R	37.9	Very low	36.1	Very low	182 Å²	182	132.9 Å²	132.9	69%	0.687	68%	0.677	S	S	*	*	H	α-helix	trans	-84.1	-24.8	-173.2	-155.7	175.1	-70.9	-148.9	-0.1	112.7	W595 S601	W595-R598 PolarHBondContact O-N 3.41Å; R598-S601 PolarHBondContact O-OG 3.4Å
599	I	37.1	Very low	36	Very low	93 Å²	93	134.6 Å²	134.6	48%	0.477	68%	0.679	S	S	.	*	H	α-helix	trans	-72.6	-35.2	175.7	-63.1	176.9	0	0	0	111.3	S601 L605	I599-S601 PolarHBondContact O-N 2.81Å; I599-L605 HydrophobicContact CG2-CD2 4.28Å
600	R	33.8	Very low	36	Very low	221 Å²	221	136 Å²	136	83%	0.834	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-6.2	-179.1	-71	-169.3	178.1	-160.7	0.1	115.2
601	S	39.2	Very low	35.9	Very low	85 Å²	85	136.4 Å²	136.4	59%	0.594	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	4.1	-178.5	59.9	0	0	0	0	115	R598 I599	R598-S601 PolarHBondContact O-OG 3.4Å; I599-S601 PolarHBondContact O-N 2.81Å
602	T	35.7	Very low	35.9	Very low	75 Å²	75	143.2 Å²	143.2	46%	0.46	68%	0.683	S	S	.	*			trans	-110.6	105.2	-175.2	-49.5	0	0	0	0	111.3	R604 L605	T602-R604 PolarHBondContact O-N 3.11Å; T602-L605 PolarHBondContact O-N 3.12Å
603	P	35.9	Very low	35.9	Very low	120 Å²	120	142.3 Å²	142.3	78%	0.779	69%	0.685	S	S	*	*	H	α-helix	trans	-60.4	-21.7	-170.5	-27.1	35.3	0	0	0	115.9	L605	P603-L605 PolarHBondContact O-N 3.32Å
604	R	36.5	Very low	35.4	Very low	232 Å²	232	137.7 Å²	137.7	88%	0.875	69%	0.689	S	S	*	*	H	α-helix	trans	-75.5	-14.3	-178	-84.5	-176.9	169.1	172.2	-3.2	115	T602	T602-R604 PolarHBondContact O-N 3.11Å
605	L	36.3	Very low	35	Very low	92 Å²	92	140.4 Å²	140.4	48%	0.482	70%	0.702	S	S	.	*	H	α-helix	trans	-94.2	-31.3	-175.7	-128.4	78.4	0	0	0	114.6	I599 T602 P603 R607 C608	I599-L605 HydrophobicContact CG2-CD2 4.28Å; T602-L605 PolarHBondContact O-N 3.12Å; P603-L605 PolarHBondContact O-N 3.32Å; L605-R607 VanDerWaalsContact C-N 3.28Å; L605-R607 PolarHBondContact O-N 3.04Å; L605-C608 PolarHBondContact O-N 3.1Å
606	N	30.7	Very low	34.7	Very low	94 Å²	94	141.4 Å²	141.4	50%	0.503	71%	0.714	S	S	.	*	H	α-helix	trans	-60.4	-36.7	-176.9	-79.4	-1.2	0	0	0	112.7	C608 L609	N606-C608 PolarHBondContact O-N 2.99Å; N606-L609 PolarHBondContact O-N 2.88Å
607	R	32.6	Very low	34.5	Very low	214 Å²	214	139.8 Å²	139.8	81%	0.808	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-11.2	-177.8	-157.1	177.2	-72.1	-171.8	-2.5	114.3	L605	L605-R607 VanDerWaalsContact C-N 3.28Å; L605-R607 PolarHBondContact O-N 3.04Å
608	C	33.2	Very low	34.1	Very low	97 Å²	97	138.1 Å²	138.1	66%	0.655	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-11.3	174.4	-80.7	0	0	0	0	114.1	L605 N606	L605-C608 PolarHBondContact O-N 3.1Å; N606-C608 PolarHBondContact O-N 2.99Å
609	L	34.7	Very low	33.5	Very low	127 Å²	127	141.3 Å²	141.3	67%	0.665	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-21.9	-177.2	-72.3	169.1	0	0	0	113.3	N606 T611	N606-L609 PolarHBondContact O-N 2.88Å; L609-T611 VanDerWaalsContact C-N 3.34Å; L609-T611 PolarHBondContact O-N 3.36Å
610	E	37	Very low	33	Very low	159 Å²	159	141.5 Å²	141.5	74%	0.743	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-16.1	179.9	-68.7	175.7	156.2	0	0	113.9
611	T	36.9	Very low	32.6	Very low	113 Å²	113	139.4 Å²	139.4	69%	0.693	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	14	-174.4	53.7	0	0	0	0	115.1	L609	L609-T611 VanDerWaalsContact C-N 3.34Å; L609-T611 PolarHBondContact O-N 3.36Å
612	K	35.9	Very low	31.9	Very low	198 Å²	198	144.1 Å²	144.1	86%	0.861	76%	0.758	S	S	*	*	S	Bend	trans	-132.7	30.4	178.3	-84.4	-161.7	173.6	-172.9	0	115.4
613	A	34.5	Very low	32.2	Very low	96 Å²	96	144.9 Å²	144.9	79%	0.793	77%	0.765	S	S	*	*			trans	-130	110.7	165.4	0	0	0	0	0	109.4
614	G	28.3	Very low	31.8	Very low	84 Å²	84	151.3 Å²	151.3	87%	0.866	77%	0.774	S	S	*	*			trans	172.7	69.8	-173	0	0	0	0	0	112.8
615	T	30.5	Very low	31.2	Very low	137 Å²	137	143.5 Å²	143.5	84%	0.84	77%	0.765	S	S	*	*			trans	-82.9	133.7	165.7	43.5	0	0	0	0	110.1
616	E	27.8	Very low	30.8	Very low	190 Å²	190	143.5 Å²	143.5	89%	0.888	78%	0.779	S	S	*	*			trans	-174.1	165.7	137.6	-102.1	-167.1	-179.4	0	0	111
617	P	32.2	Very low	30.6	Very low	117 Å²	117	148.4 Å²	148.4	76%	0.76	80%	0.799	S	S	*	*			trans	-107.1	171.1	-141.7	40.8	-39.3	0	0	0	117.4
618	L	29	Very low	30.2	Very low	175 Å²	175	142.2 Å²	142.2	92%	0.916	80%	0.802	S	S	*	*			trans	-52	133.8	168.9	-84.4	139.2	0	0	0	113.5
619	R	24.9	Very low	29.9	Very low	248 Å²	248	141.4 Å²	141.4	94%	0.936	81%	0.81	S	S	*	*			trans	-134.7	148.9	153.7	-121.2	-178.7	-173.8	-165.7	2.2	111.8
620	S	28.3	Very low	29.6	Very low	98 Å²	98	147.4 Å²	147.4	69%	0.685	82%	0.823	S	S	*	*			trans	-75.1	148.5	-173	50.4	0	0	0	0	114.3
621	M	23.7	Very low	29.1	Very low	177 Å²	177	143 Å²	143	87%	0.872	82%	0.821	S	S	*	*				159.4	121.5	123.2	-86.8	171.3	74.9	0	0	112.9
622	H	25.5	Very low	28.6	Very low	183 Å²	183	146.6 Å²	146.6	85%	0.847	84%	0.835	S	S	*	*			trans	-68.2	174.1	145.9	-94.6	-50	0	0	0	109.6
623	P	41.7	Very low	28.1	Very low	92 Å²	92	140.8 Å²	140.8	60%	0.597	83%	0.831	S	S	*	*			cis	-143.4	-168.6	17.7	22.9	6	0	0	0	115.7
624	W	27.2	Very low	27.9	Very low	254 Å²	254	145.9 Å²	145.9	96%	0.962	84%	0.836	S	S	*	*			trans	67.5	146.1	169.3	-50.7	76.4	0	0	0	116.7
625	G	24.3	Very low	27.8	Very low	68 Å²	68	149.7 Å²	149.7	70%	0.701	84%	0.835	S	S	*	*			cis	167.8	173.1	-6.4	0	0	0	0	0	112.9
626	A	27.4	Very low	27.7	Very low	93 Å²	93	150.2 Å²	150.2	77%	0.769	83%	0.831	S	S	*	*			trans	73.9	103.4	163.8	0	0	0	0	0	121.2
627	Q	26.4	Very low	28.1	Very low	197 Å²	197	146.8 Å²	146.8	92%	0.921	83%	0.826	S	S	*	*				60.3	121.2	120.2	-65	-179.5	-5.6	0	0	122.6
628	G	25.7	Very low	27.8	Very low	84 Å²	84	149.3 Å²	149.3	87%	0.866	83%	0.827	S	S	*	*				115.4	141.7	105.9	0	0	0	0	0	118
629	G	26.1	Very low	27.8	Very low	80 Å²	80	146.8 Å²	146.8	83%	0.825	82%	0.819	S	S	*	*			trans	131.8	80.7	156.9	0	0	0	0	0	118.4
630	R	28.4	Very low	27.8	Very low	252 Å²	252	141.8 Å²	141.8	95%	0.951	81%	0.81	S	S	*	*			trans	-18.9	129.3	155.4	-50.9	168.5	-152.1	-131.7	1.4	117
631	G	25.5	Very low	27.6	Very low	67 Å²	67	148.7 Å²	148.7	69%	0.691	82%	0.821	S	S	*	*				92.8	147.7	90.9	0	0	0	0	0	121.2
632	L	27.7	Very low	27.6	Very low	188 Å²	188	144 Å²	144	98%	0.984	82%	0.818	S	S	*	*			trans	72.3	142.7	164.1	-73.5	111.3	0	0	0	120.7
633	G	25.3	Very low	27.5	Very low	76 Å²	76	143.1 Å²	143.1	78%	0.784	82%	0.819	S	S	*	*			trans	140.2	83.4	148.9	0	0	0	0	0	116.5
634	K	29.4	Very low	27.2	Very low	204 Å²	204	143.9 Å²	143.9	89%	0.887	82%	0.824	S	S	*	*			trans	-67.9	151.1	163.4	-65.7	172.8	176	176.1	0	110.1
635	L	27.1	Very low	27	Very low	163 Å²	163	142.4 Å²	142.4	85%	0.853	82%	0.818	S	S	*	*				-166.1	147.3	124	-126.5	81	0	0	0	112.3
636	I	28.2	Very low	27	Very low	149 Å²	149	147.7 Å²	147.7	76%	0.764	82%	0.824	S	S	*	*			trans	-128.5	145.6	163	-51.7	164.7	0	0	0	105.3
637	P	35.6	Very low	26.8	Very low	118 Å²	118	154.2 Å²	154.2	77%	0.766	83%	0.829	S	S	*	*				-140.2	-178.7	116.2	25.3	-4.5	0	0	0	114.5
638	Q	26.7	Very low	27.3	Very low	170 Å²	170	150 Å²	150	79%	0.794	82%	0.819	S	S	*	*			trans	-106	-168.9	-161	-57.2	159	-42.9	0	0	113.5
639	T	28	Very low	27.2	Very low	121 Å²	121	156 Å²	156	74%	0.742	82%	0.821	S	S	*	*			trans	93.3	143.9	151.6	71.2	0	0	0	0	118.8
640	L	25.5	Very low	27.1	Very low	143 Å²	143	155.7 Å²	155.7	75%	0.749	82%	0.818	S	S	*	*			cis	-174.7	172.7	-29.6	-133.2	157.2	0	0	0	109.7
641	W	24.1	Very low	26.9	Very low	244 Å²	244	151.3 Å²	151.3	92%	0.924	81%	0.813	S	S	*	*			trans	81	136.6	166.2	-75.3	86	0	0	0	122.2
642	G	24.6	Very low	26.8	Very low	78 Å²	78	156.6 Å²	156.6	80%	0.804	82%	0.817	S	S	*	*			trans	150.2	89	161.9	0	0	0	0	0	116.5
643	L	23.6	Very low	26.6	Very low	164 Å²	164	156.2 Å²	156.2	86%	0.859	81%	0.808	S	S	*	*			trans	-135.4	144.2	169.8	-104.8	173	0	0	0	109.5
644	P	33.5	Very low	26.5	Very low	109 Å²	109	157.1 Å²	157.1	71%	0.708	80%	0.802	S	S	*	*				-151.4	157.4	106.6	36.3	-18.9	0	0	0	117.1
645	R	24.1	Very low	26.3	Very low	223 Å²	223	152.6 Å²	152.6	84%	0.842	80%	0.796	S	S	*	*			trans	40.9	132.9	144.7	-58.2	177.1	-176.3	-179.3	0.7	119.2
646	H	24.3	Very low	26.1	Very low	179 Å²	179	152.5 Å²	152.5	83%	0.829	80%	0.795	S	S	*	*			cis	-156.3	163.7	37	-117	-77.9	0	0	0	112.7
647	R	23	Very low	25.8	Very low	229 Å²	229	155 Å²	155	86%	0.864	80%	0.8	S	S	*	*			trans	-96.9	166.1	173.2	-102.7	-175.5	-173.9	-175.9	3.8	110.8
648	P	36.4	Very low	25.2	Very low	109 Å²	109	153.8 Å²	153.8	71%	0.708	80%	0.8	S	S	*	*			cis	-152.8	162	43.9	40.3	-18.2	0	0	0	122
649	K	24.3	Very low	25.1	Very low	209 Å²	209	155.3 Å²	155.3	91%	0.909	80%	0.804	S	S	*	*			trans	67.3	114.5	147.9	-72.6	173.2	-179.2	-176.8	0	121.6
650	G	24.4	Very low	24.9	Very low	75 Å²	75	155.4 Å²	155.4	77%	0.773	81%	0.809	S	S	*	*			trans	175.1	149.1	162.8	0	0	0	0	0	112.1
651	L	24.3	Very low	24.9	Very low	160 Å²	160	156.8 Å²	156.8	84%	0.838	82%	0.816	S	S	*	*			trans	-117.1	156	-168.5	-72.8	80.7	0	0	0	111
652	F	23.3	Very low	24.9	Very low	178 Å²	178	149.7 Å²	149.7	78%	0.781	80%	0.804	S	S	*	*			cis	-154.6	-159.8	-0.9	-143.2	-125.1	0	0	0	112.2
653	F	22.7	Very low	25	Very low	179 Å²	179	154.1 Å²	154.1	79%	0.785	81%	0.808	S	S	*	*			trans	-60.4	163.1	165.7	-79.8	-101.1	0	0	0	113.5
654	S	23.6	Very low	25.1	Very low	96 Å²	96	151.6 Å²	151.6	67%	0.671	80%	0.796	S	S	*	*			cis	-158.9	147.6	18.5	50.5	0	0	0	0	115.3
655	S	25.1	Very low	25	Very low	108 Å²	108	154.1 Å²	154.1	76%	0.755	80%	0.798	S	S	*	*			trans	46.6	119	141.3	67.2	0	0	0	0	123
656	I	23.4	Very low	25.4	Very low	161 Å²	161	150.8 Å²	150.8	83%	0.826	79%	0.792	S	S	*	*			trans	-120.7	115.9	148.9	-64	171.5	0	0	0	107.7
657	F	21.5	Very low	25.7	Very low	201 Å²	201	149 Å²	149	88%	0.882	78%	0.783	S	S	*	*			trans	165.8	109.8	137.7	-109	-82.3	0	0	0	111.1
658	A	22.7	Very low	26	Very low	93 Å²	93	143.8 Å²	143.8	77%	0.769	77%	0.771	S	S	*	*			trans	153.3	107.1	144.9	0	0	0	0	0	111
659	K	24	Very low	25.6	Very low	202 Å²	202	148.1 Å²	148.1	88%	0.878	77%	0.774	S	S	*	*			trans	-173.9	86.5	148.6	-108.5	170.8	-175.3	-177.6	0	111.7
660	C	24.2	Very low	25.8	Very low	124 Å²	124	141.5 Å²	141.5	84%	0.838	75%	0.751	S	S	*	*			trans	-85.3	158.7	136.2	-80.7	0	0	0	0	107.9
661	L	26.5	Very low	25.9	Very low	172 Å²	172	142.2 Å²	142.2	90%	0.901	74%	0.741	S	S	*	*	S	Bend	trans	69.7	86.3	178	-65.2	150.8	0	0	0	116.4
662	S	24.4	Very low	26.1	Very low	95 Å²	95	139 Å²	139	66%	0.664	73%	0.727	S	S	*	*			trans	173.6	108.7	135.1	174.8	0	0	0	0	108.1
663	L	25.3	Very low	26.3	Very low	170 Å²	170	137.3 Å²	137.3	89%	0.89	72%	0.722	S	S	*	*			trans	-110.5	102.4	167.6	-86.3	165	0	0	0	107.3
664	N	27.1	Very low	26.5	Very low	112 Å²	112	133.2 Å²	133.2	60%	0.599	72%	0.715	S	S	*	*			trans	-83.7	156.6	171.4	-83.4	-1.1	0	0	0	110.8	E666	N664-E666 PolarHBondContact O-N 3.13Å; N664-E666 VanDerWaalsContact O-N 3.15Å
665	E	30.4	Very low	26.7	Very low	161 Å²	161	133.3 Å²	133.3	75%	0.752	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-13.1	-174.9	-61.8	-175.9	128.8	0	0	115.1	H667 I668	E665-H667 VanDerWaalsContact C-N 3.28Å; E665-H667 PolarHBondContact O-N 3.21Å; E665-I668 PolarHBondContact O-N 3.29Å
666	E	32.7	Very low	26.9	Very low	154 Å²	154	134 Å²	134	72%	0.72	71%	0.713	S	S	*	*	H	α-helix	trans	-61.8	-28	-173.4	-68.4	-179.2	132.7	0	0	114.3	N664 I668 T670	N664-E666 PolarHBondContact O-N 3.13Å; N664-E666 VanDerWaalsContact O-N 3.15Å; E666-I668 VanDerWaalsContact C-N 3.34Å; E666-I668 PolarHBondContact O-N 3.36Å; E666-T670 PolarHBondContact O-OG1 3.23Å
667	H	30.4	Very low	27.2	Very low	140 Å²	140	133.1 Å²	133.1	65%	0.648	71%	0.71	S	S	*	*	H	α-helix	trans	-77.2	-14.7	-179.4	-90.9	-49.7	0	0	0	115.1	E665 T671	E665-H667 VanDerWaalsContact C-N 3.28Å; E665-H667 PolarHBondContact O-N 3.21Å; H667-T671 PolarHBondContact O-OG1 3.15Å
668	I	29.9	Very low	27.4	Very low	120 Å²	120	128.5 Å²	128.5	62%	0.615	70%	0.7	S	S	*	*	H	α-helix	trans	-72.1	-39.1	175.7	-63.7	177.5	0	0	0	109.8	E665 E666 T671	E665-I668 PolarHBondContact O-N 3.29Å; E666-I668 VanDerWaalsContact C-N 3.34Å; E666-I668 PolarHBondContact O-N 3.36Å; I668-T671 PolarHBondContact O-N 2.88Å
669	W	27.6	Very low	27.6	Very low	200 Å²	200	127.8 Å²	127.8	76%	0.758	70%	0.701	S	S	*	*	H	α-helix	trans	-68.1	-41	-178.9	-79.8	96.5	0	0	0	113.8	T671 V672 Q673	W669-T671 VanDerWaalsContact C-N 3.26Å; W669-T671 PolarHBondContact O-N 3.09Å; W669-V672 PolarHBondContact O-N 2.96Å; W669-Q673 PolarHBondContact O-N 3.33Å
670	T	27.9	Very low	27.8	Very low	71 Å²	71	123.1 Å²	123.1	44%	0.436	69%	0.694	S	S	.	*	H	α-helix	trans	-63.2	-33.8	178.6	-2.4	0	0	0	0	112.3	E666 V672 C674	E666-T670 PolarHBondContact O-OG1 3.23Å; T670-V672 VanDerWaalsContact C-N 3.35Å; T670-C674 PolarHBondContact O-N 3.44Å
671	T	27.9	Very low	27.9	Very low	90 Å²	90	123.5 Å²	123.5	55%	0.552	69%	0.693	S	S	*	*	H	α-helix	trans	-70.3	-32.2	-178.3	-52.7	0	0	0	0	112	H667 I668 W669	H667-T671 PolarHBondContact O-OG1 3.15Å; I668-T671 PolarHBondContact O-N 2.88Å; W669-T671 VanDerWaalsContact C-N 3.26Å; W669-T671 PolarHBondContact O-N 3.09Å
672	V	27.8	Very low	27.8	Very low	92 Å²	92	121.7 Å²	121.7	56%	0.558	69%	0.689	S	S	*	*	H	α-helix	trans	-72.4	-39.2	179	176.9	0	0	0	0	111.7	W669 T670 C674 C675	W669-V672 PolarHBondContact O-N 2.96Å; T670-V672 VanDerWaalsContact C-N 3.35Å; V672-C674 PolarHBondContact O-N 3.11Å; V672-C675 PolarHBondContact O-N 2.97Å
673	Q	28	Very low	27.7	Very low	143 Å²	143	124 Å²	124	67%	0.668	69%	0.693	S	S	*	*	H	α-helix	trans	-63	-39.4	176.6	-94.4	179.5	-34.9	0	0	113	W669 C675 V676	W669-Q673 PolarHBondContact O-N 3.33Å; Q673-C675 VanDerWaalsContact C-N 3.25Å; Q673-C675 PolarHBondContact O-N 3.33Å; Q673-V676 PolarHBondContact O-N 3.36Å
674	C	27.1	Very low	27.9	Very low	93 Å²	93	121.5 Å²	121.5	63%	0.628	69%	0.687	S	S	*	*	H	α-helix	trans	-66.5	-22.5	-179.6	-70.1	0	0	0	0	114.2	T670 V672 V676	T670-C674 PolarHBondContact O-N 3.44Å; V672-C674 PolarHBondContact O-N 3.11Å; C674-V676 VanDerWaalsContact C-N 3.34Å
675	C	27	Very low	27.7	Very low	98 Å²	98	121.7 Å²	121.7	66%	0.662	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-12.4	179.9	-72.4	0	0	0	0	114.3	V672 Q673	V672-C675 PolarHBondContact O-N 2.97Å; Q673-C675 VanDerWaalsContact C-N 3.25Å; Q673-C675 PolarHBondContact O-N 3.33Å
676	V	29.2	Very low	27.4	Very low	121 Å²	121	123.3 Å²	123.3	73%	0.733	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-21.1	-176.9	-178.6	0	0	0	0	112.6	Q673 C674 P678	Q673-V676 PolarHBondContact O-N 3.36Å; C674-V676 VanDerWaalsContact C-N 3.34Å; V676-P678 VanDerWaalsContact C-CD 3.47Å
677	L	29.3	Very low	27.1	Very low	144 Å²	144	122.7 Å²	122.7	75%	0.754	69%	0.693	S	S	*	*			trans	-97.6	-2.7	-173.1	-72	166.4	0	0	0	119	G679	L677-G679 VanDerWaalsContact C-N 3.28Å; L677-G679 PolarHBondContact O-N 3.42Å
678	P	26.1	Very low	27	Very low	103 Å²	103	129.3 Å²	129.3	67%	0.669	72%	0.72	S	S	*	*			trans	-85.3	67.2	177.5	35.8	-33.3	0	0	0	111.7	V676	V676-P678 VanDerWaalsContact C-CD 3.47Å
679	G	27.3	Very low	26.9	Very low	78 Å²	78	129.8 Å²	129.8	80%	0.804	73%	0.725	S	S	*	*			trans	-133.4	40.4	176.3	0	0	0	0	0	112.4	L677	L677-G679 VanDerWaalsContact C-N 3.28Å; L677-G679 PolarHBondContact O-N 3.42Å
680	S	28.3	Very low	26.8	Very low	104 Å²	104	126.1 Å²	126.1	73%	0.727	72%	0.724	S	S	*	*			trans	-103.7	128.6	-163.6	47	0	0	0	0	115
681	V	25.4	Very low	26.8	Very low	133 Å²	133	129.2 Å²	129.2	81%	0.806	74%	0.74	S	S	*	*			trans	-151.7	122.4	163.9	-169.3	0	0	0	0	104.2
682	T	25.3	Very low	26.7	Very low	134 Å²	134	131.5 Å²	131.5	82%	0.822	75%	0.751	S	S	*	*			cis	-151.1	161.5	17.7	-4.8	0	0	0	0	112.9
683	L	21.9	Very low	26.6	Very low	142 Å²	142	133.9 Å²	133.9	74%	0.743	76%	0.763	S	S	*	*			trans	-63.4	169.2	163.9	-114.4	67.7	0	0	0	112.5	L685	L683-L685 HydrophobicContact CD2-CD1 3.8Å
684	P	29.8	Very low	26.5	Very low	119 Å²	119	133.3 Å²	133.3	77%	0.773	77%	0.769	S	S	*	*			cis	-142.6	165.1	42.4	38.5	-17.2	0	0	0	120.4
685	L	23.4	Very low	26.5	Very low	115 Å²	115	136.2 Å²	136.2	60%	0.602	78%	0.779	S	S	*	*			trans	-23.9	149.6	165.3	-62.8	91.9	0	0	0	119.6	L683	L683-L685 HydrophobicContact CD2-CD1 3.8Å
686	F	22.2	Very low	26.5	Very low	195 Å²	195	139.2 Å²	139.2	86%	0.855	79%	0.788	S	S	*	*				-159.5	158.2	98.6	-112.8	-80.4	0	0	0	113.1
687	L	27.6	Very low	26.2	Very low	142 Å²	142	140.7 Å²	140.7	74%	0.743	79%	0.793	S	S	*	*			trans	-83.7	137.7	-168.8	-60.6	90.9	0	0	0	114.2
688	K	28.2	Very low	26	Very low	279 Å²	279	140.4 Å²	140.4	100%	1.213	80%	0.796	S	S	*	*				-161.7	0	113	-125.7	177.7	-177.5	177.5	0	112.7

Retrieved 688 of 688 residues in 490.7 ms (Link to these results)

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