G4M0F4_SCHMA Loading...

PMD domain-containing protein

AlphaFold DB , UniProt , Accession G4M0F4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 373 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	31.8	Very low	23.6	Very low	240 Å²	240	137.1 Å²	137.1	100%	1.182	78%	0.776	S	S	*	*				0	97.7	0	-89.4	163.5	35.9	0	0	107.2	A3	M1-A3 PolarHBondContact O-N 3.16Å
2	E	27.6	Very low	23.4	Very low	200 Å²	200	138.9 Å²	138.9	94%	0.935	77%	0.773	S	S	*	*			trans	-67.7	114.8	176.4	-81.4	175.3	138.5	0	0	108.7	A4	E2-A4 PolarHBondContact O-N 2.77Å; E2-A4 VanDerWaalsContact O-N 3.08Å
3	A	25.5	Very low	23.4	Very low	91 Å²	91	139 Å²	139	75%	0.752	77%	0.771	S	S	*	*			trans	-64.8	108.6	169.6	0	0	0	0	0	107.3	M1 K5	M1-A3 PolarHBondContact O-N 3.16Å; A3-K5 PolarHBondContact O-N 3.36Å
4	A	25.3	Very low	23.4	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	76%	0.756	S	S	*	*			trans	-53.6	106.7	167.7	0	0	0	0	0	107.3	E2 S6	E2-A4 PolarHBondContact O-N 2.77Å; E2-A4 VanDerWaalsContact O-N 3.08Å; A4-S6 PolarHBondContact O-N 3.08Å
5	K	22	Very low	23.3	Very low	196 Å²	196	135.5 Å²	135.5	85%	0.852	75%	0.752	S	S	*	*			trans	-63.9	90.6	166.9	-81.1	179.3	174.3	177	0	106.1	A3 L7	A3-K5 PolarHBondContact O-N 3.36Å; K5-L7 VanDerWaalsContact C-N 3.31Å; K5-L7 PolarHBondContact O-N 3.24Å
6	S	21.9	Very low	23.4	Very low	95 Å²	95	136 Å²	136	66%	0.664	75%	0.751	S	S	*	*			trans	-56.8	101.2	162.4	177.5	0	0	0	0	106.1	A4 T8	A4-S6 PolarHBondContact O-N 3.08Å; S6-T8 PolarHBondContact O-N 3.11Å
7	L	20.7	Very low	23.4	Very low	133 Å²	133	134.6 Å²	134.6	70%	0.696	75%	0.751	S	S	*	*			trans	-69.7	79.1	163.1	-92.1	144.6	0	0	0	105.8	K5 Y9	K5-L7 VanDerWaalsContact C-N 3.31Å; K5-L7 PolarHBondContact O-N 3.24Å; L7-Y9 HydrophobicContact CB-CD2 4.19Å; L7-Y9 HydrophobicContact CB-CE2 4.06Å; L7-Y9 HydrophobicContact CD2-CE2 4Å; L7-Y9 PolarHBondContact O-N 3.33Å
8	T	19.7	Very low	23.4	Very low	114 Å²	114	131.8 Å²	131.8	70%	0.699	74%	0.74	S	S	*	*			trans	-59.6	89.6	156.4	28.1	0	0	0	0	106.4	S6 A10	S6-T8 PolarHBondContact O-N 3.11Å; T8-A10 PolarHBondContact O-N 2.88Å
9	Y	21.9	Very low	23.6	Very low	201 Å²	201	130.1 Å²	130.1	79%	0.788	73%	0.733	S	S	*	*			trans	-66.1	77.3	151.7	-76.6	-87.4	0	0	0	105.6	L7 A11	L7-Y9 HydrophobicContact CB-CD2 4.19Å; L7-Y9 HydrophobicContact CB-CE2 4.06Å; L7-Y9 HydrophobicContact CD2-CE2 4Å; L7-Y9 PolarHBondContact O-N 3.33Å; Y9-A11 PolarHBondContact O-N 2.93Å
10	A	20.5	Very low	23.8	Very low	61 Å²	61	128.8 Å²	128.8	50%	0.504	72%	0.724	S	S	.	*			trans	-65.4	94.9	170.9	0	0	0	0	0	106	T8 E12	T8-A10 PolarHBondContact O-N 2.88Å; A10-E12 HydrophobicContact CB-CB 4.03Å; A10-E12 HydrophobicContact CB-CG 3.94Å; A10-E12 PolarHBondContact O-N 2.8Å
11	A	22.9	Very low	24	Very low	81 Å²	81	128.2 Å²	128.2	67%	0.669	72%	0.718	S	S	*	*			trans	-65.2	34.8	159.5	0	0	0	0	0	110.6	Y9 N13	Y9-A11 PolarHBondContact O-N 2.93Å; A11-N13 PolarHBondContact O-N 2.9Å
12	E	21.6	Very low	23.9	Very low	159 Å²	159	118.9 Å²	118.9	74%	0.743	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-5.2	-166.8	-95.8	-176.5	161.4	0	0	113.3	A10	A10-E12 HydrophobicContact CB-CB 4.03Å; A10-E12 HydrophobicContact CB-CG 3.94Å; A10-E12 PolarHBondContact O-N 2.8Å
13	N	23.3	Very low	23.7	Very low	140 Å²	140	118.6 Å²	118.6	75%	0.749	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.2	48.8	178.4	-74.8	-59.5	0	0	0	111.6	A11 I15	A11-N13 PolarHBondContact O-N 2.9Å; N13-I15 PolarHBondContact O-N 3.14Å
14	T	22.9	Very low	23.7	Very low	90 Å²	90	117 Å²	117	55%	0.552	65%	0.646	S	S	*	*			trans	-71.3	79.4	163.8	-34.8	0	0	0	0	107.6	I16	T14-I16 PolarHBondContact O-N 2.89Å
15	I	22.5	Very low	23.7	Very low	136 Å²	136	118.9 Å²	118.9	70%	0.697	64%	0.638	S	S	*	*			trans	-53.2	112.7	166.7	-65.3	168.3	0	0	0	104.9	N13 C17	N13-I15 PolarHBondContact O-N 3.14Å; I15-C17 VanDerWaalsContact C-N 3.32Å; I15-C17 PolarHBondContact O-N 2.99Å
16	I	24.5	Very low	23.8	Very low	143 Å²	143	114.7 Å²	114.7	73%	0.733	63%	0.634	S	S	*	*			trans	-43.8	100.6	165.8	-58.9	165.9	0	0	0	106	T14 P18	T14-I16 PolarHBondContact O-N 2.89Å; I16-P18 WeakPolarHBondContact O-CD 3.05Å; I16-P18 VanDerWaalsContact O-N 3.07Å
17	C	22.9	Very low	24.1	Very low	112 Å²	112	113.4 Å²	113.4	76%	0.757	62%	0.619	S	S	*	*			trans	-71.8	110.2	-179.9	-163.3	0	0	0	0	105.4	I15 T19	I15-C17 VanDerWaalsContact C-N 3.32Å; I15-C17 PolarHBondContact O-N 2.99Å; C17-T19 PolarHBondContact O-N 3.18Å
18	P	23.1	Very low	24.4	Very low	84 Å²	84	112.4 Å²	112.4	55%	0.545	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-61.1	112.6	-172	-18.9	32.5	0	0	0	108.1	I16	I16-P18 WeakPolarHBondContact O-CD 3.05Å; I16-P18 VanDerWaalsContact O-N 3.07Å
19	T	27.3	Very low	25.1	Very low	99 Å²	99	112.3 Å²	112.3	61%	0.607	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	60.8	59.8	151.4	-31.9	0	0	0	0	113.8	C17 L21	C17-T19 PolarHBondContact O-N 3.18Å; T19-L21 WeakPolarHBondContact O-CA 3.41Å; T19-L21 WeakPolarHBondContact O-CG 3.36Å; T19-L21 PolarHBondContact O-N 2.87Å
20	L	28.4	Very low	25.7	Very low	105 Å²	105	107.7 Å²	107.7	55%	0.55	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	38.4	44	154.7	-105.4	147	0	0	0	113.2	L22 V224	L20-L22 PolarHBondContact O-N 2.65Å; L20-V224 HydrophobicContact CD1-CG2 3.74Å; L20-V224 HydrophobicContact CD2-CG2 4.43Å
21	L	26.6	Very low	26.4	Very low	116 Å²	116	109 Å²	109	61%	0.607	62%	0.62	S	S	*	*			trans	-81	75	-171.5	-92.7	164.8	0	0	0	105.4	T19 R23	T19-L21 WeakPolarHBondContact O-CA 3.41Å; T19-L21 WeakPolarHBondContact O-CG 3.36Å; T19-L21 PolarHBondContact O-N 2.87Å; L21-R23 PolarHBondContact O-N 2.87Å
22	L	30.4	Very low	27.1	Very low	44 Å²	44	107.9 Å²	107.9	23%	0.23	61%	0.605	C	S	.	*			trans	-61.7	87.7	167.7	-69.3	172.5	0	0	0	106.3	L20 S24 F244 I245	L20-L22 PolarHBondContact O-N 2.65Å; L22-S24 PolarHBondContact O-N 2.85Å; L22-F244 HydrophobicContact CD2-CB 3.61Å; L22-I245 HydrophobicContact CD1-CG1 4.29Å; L22-I245 HydrophobicContact CD2-CG1 3.68Å
23	R	23.9	Very low	27.8	Very low	195 Å²	195	102.1 Å²	102.1	74%	0.736	58%	0.582	S	S	*	*			trans	-62.5	93	169.9	-72.2	-175.1	178.8	179.9	0.9	106.5	L21 H25	L21-R23 PolarHBondContact O-N 2.87Å; R23-H25 VanDerWaalsContact C-N 3.33Å; R23-H25 PolarHBondContact O-N 2.85Å
24	S	26.3	Very low	28.3	Very low	56 Å²	56	104.1 Å²	104.1	39%	0.392	59%	0.587	S	S	.	*			trans	-64.7	97.2	172	69.6	0	0	0	0	107.1	L22 S26	L22-S24 PolarHBondContact O-N 2.85Å; S24-S26 VanDerWaalsContact C-N 3.3Å; S24-S26 PolarHBondContact O-N 3.15Å
25	H	23.9	Very low	28.9	Very low	136 Å²	136	102.5 Å²	102.5	63%	0.63	58%	0.578	S	S	*	*			trans	-65.8	100.8	162	-82.9	-78.8	0	0	0	106.6	R23 N27	R23-H25 VanDerWaalsContact C-N 3.33Å; R23-H25 PolarHBondContact O-N 2.85Å; H25-N27 VanDerWaalsContact C-N 3.34Å; H25-N27 PolarHBondContact O-N 3.11Å
26	S	24.9	Very low	29.5	Very low	109 Å²	109	98.6 Å²	98.6	76%	0.762	57%	0.572	S	S	*	*			trans	-58.2	97.3	169.5	50.3	0	0	0	0	107.8	S24	S24-S26 VanDerWaalsContact C-N 3.3Å; S24-S26 PolarHBondContact O-N 3.15Å
27	N	26.9	Very low	30.1	Very low	67 Å²	67	92 Å²	92	36%	0.358	54%	0.539	S	S	.	.			trans	-63.9	153.7	158.6	-80.7	-51.8	0	0	0	108.2	H25 T29 K240	H25-N27 VanDerWaalsContact C-N 3.34Å; H25-N27 PolarHBondContact O-N 3.11Å; N27-T29 PolarHBondContact O-N 2.8Å; N27-T29 VanDerWaalsContact O-N 3.1Å; N27-K240 WeakPolarHBondContact ND2-CD 3.32Å; N27-K240 WeakPolarHBondContact ND2-CE 3.04Å; N27-K240 PolarHBondContact ND2-NZ 2.74Å; N27-K240 PolarHBondContact OD1-NZ 3.04Å
28	P	28.5	Very low	31	Very low	112 Å²	112	88.5 Å²	88.5	73%	0.727	52%	0.515	S	S	*	.			trans	-49.3	125.7	171.3	21.6	-33	0	0	0	107.9
29	T	32.8	Very low	32	Very low	113 Å²	113	89.4 Å²	89.4	69%	0.693	51%	0.51	S	S	*	.			trans	-34.5	129.2	172.9	14.1	0	0	0	0	108.1	N27 S31 V32	N27-T29 PolarHBondContact O-N 2.8Å; N27-T29 VanDerWaalsContact O-N 3.1Å; T29-S31 PolarHBondContact O-N 3.04Å; T29-V32 HydrophobicContact CG2-CG2 4.22Å
30	P	34.7	Very low	33	Very low	103 Å²	103	91.1 Å²	91.1	67%	0.669	51%	0.511	S	S	*	.			trans	-43.3	142.9	153.7	-17.7	28.7	0	0	0	105.8	V32	P30-V32 WeakPolarHBondContact O-CG2 3.37Å; P30-V32 PolarHBondContact O-N 2.91Å
31	S	36.7	Very low	34.3	Very low	88 Å²	88	88.2 Å²	88.2	62%	0.615	50%	0.495	S	S	*	.	S	Bend	trans	-65.2	71.1	173.3	56.7	0	0	0	0	108.8	T29 F39	T29-S31 PolarHBondContact O-N 3.04Å; S31-F39 WeakPolarHBondContact OG-CZ 3.17Å
32	V	36.6	Very low	36	Very low	59 Å²	59	83.6 Å²	83.6	36%	0.358	47%	0.47	S	S	.	.			trans	-68.9	145.6	162.4	-93.2	0	0	0	0	105.3	T29 P30 G36 S37	T29-V32 HydrophobicContact CG2-CG2 4.22Å; P30-V32 WeakPolarHBondContact O-CG2 3.37Å; P30-V32 PolarHBondContact O-N 2.91Å; V32-G36 WeakPolarHBondContact CG1-O 3.1Å; V32-S37 CarbonylContact C-O 3.6Å; V32-S37 WeakPolarHBondContact CA-O 3.29Å; V32-S37 WeakPolarHBondContact CB-O 3.22Å; V32-S37 WeakPolarHBondContact CG1-O 3.46Å
33	C	36.2	Very low	37.9	Very low	37 Å²	37	82.2 Å²	82.2	25%	0.25	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-52.5	156.4	165.5	-169.8	0	0	0	0	109.4	C35 G36 S37 H40	C33-C35 PolarHBondContact O-N 2.98Å; C33-G36 WeakPolarHBondContact O-CA 3.35Å; C33-G36 PolarHBondContact O-N 3.33Å; C33-S37 VanDerWaalsContact CB-OG 3.28Å; C33-S37 WeakPolarHBondContact CB-OG 3.32Å; C33-S37 PolarHBondContact N-O 3.35Å; C33-S37 PolarHBondContact O-N 2.89Å; C33-H40 PolarHBondContact SG-CE1 3.05Å
34	E	35	Very low	40.2	Very low	183 Å²	183	73.3 Å²	73.3	86%	0.855	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.7	178.7	-66.8	180	165	0	0	113.3	G36	E34-G36 VanDerWaalsContact C-N 3.28Å; E34-G36 PolarHBondContact O-N 2.65Å
35	C	35	Very low	42.6	Very low	55 Å²	55	70.7 Å²	70.7	37%	0.372	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	16.5	169.9	57.7	0	0	0	0	114.6	C33 S37 H40	C33-C35 PolarHBondContact O-N 2.98Å; C35-S37 VanDerWaalsContact C-N 3.29Å; C35-S37 PolarHBondContact O-N 2.75Å; C35-S37 WeakPolarHBondContact SG-CB 3.29Å; C35-S37 PolarHBondContact SG-OG 3.15Å; C35-H40 PolarHBondContact SG-NE2 3.41Å
36	G	34.2	Very low	45.1	Very low	55 Å²	55	64.4 Å²	64.4	57%	0.567	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	17.1	178.5	0	0	0	0	0	114.2	V32 C33 E34	V32-G36 WeakPolarHBondContact CG1-O 3.1Å; C33-G36 WeakPolarHBondContact O-CA 3.35Å; C33-G36 PolarHBondContact O-N 3.33Å; E34-G36 VanDerWaalsContact C-N 3.28Å; E34-G36 PolarHBondContact O-N 2.65Å
37	S	36.6	Very low	47.7	Very low	4 Å²	4	59.3 Å²	59.3	3%	0.028	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-108.4	150.2	-157.9	103.7	0	0	0	0	112.2	V32 C33 C35 H40 H294	V32-S37 CarbonylContact C-O 3.6Å; V32-S37 WeakPolarHBondContact CA-O 3.29Å; V32-S37 WeakPolarHBondContact CB-O 3.22Å; V32-S37 WeakPolarHBondContact CG1-O 3.46Å; C33-S37 VanDerWaalsContact CB-OG 3.28Å; C33-S37 WeakPolarHBondContact CB-OG 3.32Å; C33-S37 PolarHBondContact N-O 3.35Å; C33-S37 PolarHBondContact O-N 2.89Å; C35-S37 VanDerWaalsContact C-N 3.29Å; C35-S37 PolarHBondContact O-N 2.75Å; C35-S37 WeakPolarHBondContact SG-CB 3.29Å; C35-S37 PolarHBondContact SG-OG 3.15Å; S37-H40 PolarHBondContact OG-CD2 3.02Å; S37-H294 WeakPolarHBondContact CA-CE1 3.29Å; S37-H294 WeakPolarHBondContact CA-NE2 3.36Å; S37-H294 WeakPolarHBondContact CB-CE1 3.31Å; S37-H294 WeakPolarHBondContact CB-NE2 3.33Å; S37-H294 PolarHBondContact OG-CE1 3.17Å
38	C	42.4	Very low	50.3	Low	39 Å²	39	56.3 Å²	56.3	26%	0.264	33%	0.331	S	S	.	.	S	Bend	trans	-49	148.2	158.6	-73.5	0	0	0	0	108.2	H40 E42 H294	C38-H40 PolarHBondContact O-N 3.13Å; C38-H40 VanDerWaalsContact O-N 3.15Å; C38-E42 HydrophobicContact CB-CB 4.33Å; C38-H294 PolarHBondContact N-CE1 3.14Å; C38-H294 PolarHBondContact N-NE2 3.1Å
39	F	45.4	Very low	52.9	Low	102 Å²	102	51.1 Å²	51.1	45%	0.447	30%	0.297	S	S	.	.			trans	-40.2	129.6	175.4	-71.4	-83.3	0	0	0	108.6	S31 E41 E42	S31-F39 WeakPolarHBondContact OG-CZ 3.17Å; F39-E41 CarbonylContact O-C 3.56Å; F39-E41 PolarHBondContact O-N 3.02Å; F39-E42 HydrophobicContact CB-CG 4.38Å; F39-E42 PolarHBondContact O-N 3.37Å
40	H	46.8	Very low	55.4	Low	136 Å²	136	47.3 Å²	47.3	63%	0.63	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-4.6	-175.2	-70.2	145.4	0	0	0	114.7	C33 C35 S37 C38	C33-H40 PolarHBondContact SG-CE1 3.05Å; C35-H40 PolarHBondContact SG-NE2 3.41Å; S37-H40 PolarHBondContact OG-CD2 3.02Å; C38-H40 PolarHBondContact O-N 3.13Å; C38-H40 VanDerWaalsContact O-N 3.15Å
41	E	56.8	Low	57.7	Low	43 Å²	43	44 Å²	44	20%	0.201	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-8.6	177	-68	163	-137.3	0	0	113.5	F39 K162 S163 T164 R165	F39-E41 CarbonylContact O-C 3.56Å; F39-E41 PolarHBondContact O-N 3.02Å; E41-K162 VanDerWaalsContact CD-CB 3.44Å; E41-K162 WeakPolarHBondContact OE1-CB 3.2Å; E41-K162 VanDerWaalsContact OE1-CD 3.23Å; E41-K162 WeakPolarHBondContact OE1-CD 3.46Å; E41-K162 WeakPolarHBondContact OE1-CG 3.38Å; E41-K162 VanDerWaalsContact OE2-C 3.23Å; E41-K162 WeakPolarHBondContact OE2-CA 3.36Å; E41-K162 VanDerWaalsContact OE2-CB 3.26Å; E41-K162 WeakPolarHBondContact OE2-CB 3.17Å; E41-S163 PolarHBondContact OE2-N 3.17Å; E41-T164 CarbonylContact O-C 3.58Å; E41-T164 WeakPolarHBondContact O-CA 3.48Å; E41-T164 WeakPolarHBondContact O-CG2 3.48Å; E41-R165 PolarHBondContact O-N 3.02Å
42	E	61.9	Low	59.6	Low	19 Å²	19	40.1 Å²	40.1	9%	0.089	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.3	178.9	-63.2	-170.5	170.4	0	0	110.9	C38 F39 P44 R165 K167	C38-E42 HydrophobicContact CB-CB 4.33Å; F39-E42 HydrophobicContact CB-CG 4.38Å; F39-E42 PolarHBondContact O-N 3.37Å; E42-P44 VanDerWaalsContact O-CD 3.3Å; E42-P44 WeakPolarHBondContact O-CD 3.3Å; E42-R165 CarbonylContact C-O 3.57Å; E42-R165 WeakPolarHBondContact CA-O 3.42Å; E42-R165 HydrophobicContact CG-CB 4.13Å; E42-R165 IonicContact OE1-NH1 2.72Å; E42-K167 WeakPolarHBondContact OE2-CD 3.47Å; E42-K167 IonicContact OE2-NZ 3.03Å; E42-K167 PolarHBondContact OE2-NZ 2.76Å
43	I	69.8	Low	61.5	Low	15 Å²	15	37.6 Å²	37.6	8%	0.077	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	106.7	170.7	-61.9	175	0	0	0	107.4	T164 R165 L166 K167 R295 V297 W361	I43-T164 HydrophobicContact CD1-CG2 3.89Å; I43-T164 HydrophobicContact CG1-CG2 4.08Å; I43-R165 PolarHBondContact N-O 3.08Å; I43-L166 HydrophobicContact CB-CD2 3.96Å; I43-L166 HydrophobicContact CG2-CD2 4.09Å; I43-K167 PolarHBondContact O-N 3.34Å; I43-R295 WeakPolarHBondContact CG2-O 3.41Å; I43-V297 HydrophobicContact CG2-CG2 4.43Å; I43-W361 HydrophobicContact CD1-CB 3.99Å; I43-W361 HydrophobicContact CD1-CG 3.97Å
44	P	72.4	Confident	63.2	Low	9 Å²	9	36 Å²	36	6%	0.058	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.7	177.5	26.1	-31.1	0	0	0	110.8	E42 K167 Y169 S296 V297	E42-P44 VanDerWaalsContact O-CD 3.3Å; E42-P44 WeakPolarHBondContact O-CD 3.3Å; P44-K167 CarbonylContact C-O 3.47Å; P44-K167 WeakPolarHBondContact CA-O 3.35Å; P44-Y169 HydrophobicContact CB-CD2 3.96Å; P44-Y169 HydrophobicContact CB-CE2 3.48Å; P44-Y169 VanDerWaalsContact CB-CE2 3.48Å; P44-S296 CarbonylContact O-C 3.4Å; P44-S296 VanDerWaalsContact O-CA 3.31Å; P44-S296 WeakPolarHBondContact O-CA 3.38Å; P44-V297 PolarHBondContact O-N 2.88Å
45	V	76.1	Confident	64.9	Low	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	100.7	172.9	-175.1	0	0	0	0	108.7	V47 L166 K167 F168 Y169 V297 L299 V357	V45-V47 HydrophobicContact CG1-CG2 4.34Å; V45-V47 PolarHBondContact O-N 3.06Å; V45-L166 HydrophobicContact CG2-CD2 4.31Å; V45-K167 PolarHBondContact N-O 3.49Å; V45-F168 HydrophobicContact CB-CD1 3.78Å; V45-F168 HydrophobicContact CB-CE1 3.89Å; V45-F168 HydrophobicContact CB-CG 4.18Å; V45-F168 HydrophobicContact CB-CZ 4.36Å; V45-F168 HydrophobicContact CG1-CD1 3.72Å; V45-F168 HydrophobicContact CG1-CE1 3.6Å; V45-F168 HydrophobicContact CG1-CZ 4.37Å; V45-F168 HydrophobicContact CG2-CD1 4.49Å; V45-F168 HydrophobicContact CG2-CE1 4.23Å; V45-F168 HydrophobicContact CG2-CZ 4.22Å; V45-F168 CarbonylContact O-C 3.49Å; V45-F168 WeakPolarHBondContact O-CA 3.2Å; V45-Y169 PolarHBondContact O-N 3.07Å; V45-V297 CarbonylContact C-O 3.44Å; V45-V297 VanDerWaalsContact CA-O 3.25Å; V45-V297 WeakPolarHBondContact CA-O 3.42Å; V45-L299 HydrophobicContact CG1-CB 4.15Å; V45-V357 HydrophobicContact CG2-CG1 4.48Å
46	N	78.3	Confident	66.6	Low	4 Å²	4	31.2 Å²	31.2	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	107	179.9	-63.5	-40.8	0	0	0	109.6	S188 I191 V297 T298 L299	N46-S188 WeakPolarHBondContact OD1-CB 3.17Å; N46-S188 PolarHBondContact OD1-OG 2.99Å; N46-I191 HydrophobicContact CB-CG1 4.26Å; N46-V297 PolarHBondContact N-O 3.36Å; N46-T298 CarbonylContact O-C 3.58Å; N46-T298 WeakPolarHBondContact O-CA 3.5Å; N46-L299 PolarHBondContact O-N 3.07Å
47	V	77.7	Confident	68.3	Low	3 Å²	3	29.3 Å²	29.3	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.2	-178.7	-172.7	0	0	0	0	110.1	V45 I64 F168 Y169 I170 L299 I301	V45-V47 HydrophobicContact CG1-CG2 4.34Å; V45-V47 PolarHBondContact O-N 3.06Å; V47-I64 HydrophobicContact CG1-CD1 3.65Å; V47-I64 HydrophobicContact CG1-CG1 3.92Å; V47-F168 HydrophobicContact CG2-CD1 3.82Å; V47-Y169 PolarHBondContact N-O 3.21Å; V47-I170 HydrophobicContact CB-CG1 3.79Å; V47-I170 HydrophobicContact CG1-CG1 4.43Å; V47-I170 HydrophobicContact CG2-CG1 3.76Å; V47-L299 CarbonylContact C-O 3.37Å; V47-L299 WeakPolarHBondContact CA-O 3.35Å; V47-L299 HydrophobicContact CG1-CD2 4.49Å; V47-L299 HydrophobicContact CG2-CB 4.43Å; V47-L299 HydrophobicContact CG2-CD2 4.35Å; V47-I301 HydrophobicContact CG1-CD1 3.56Å; V47-I301 HydrophobicContact CG1-CG1 4.23Å
48	L	81.5	Confident	69.7	Low	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.7	-176.2	-59.3	172.3	0	0	0	110.7	I191 T298 L299 I300 I301 W327	L48-I191 HydrophobicContact CD1-CD1 3.61Å; L48-I191 HydrophobicContact CD1-CG1 3.84Å; L48-I191 HydrophobicContact CD1-CG2 4.02Å; L48-I191 HydrophobicContact CD2-CB 4.16Å; L48-I191 HydrophobicContact CD2-CG1 3.96Å; L48-I191 HydrophobicContact CD2-CG2 3.47Å; L48-I191 VanDerWaalsContact CD2-CG2 3.47Å; L48-I191 HydrophobicContact CG-CG1 4.32Å; L48-I191 HydrophobicContact CG-CG2 4.38Å; L48-T298 HydrophobicContact CD1-CG2 3.56Å; L48-T298 HydrophobicContact CG-CG2 4.31Å; L48-L299 PolarHBondContact N-O 2.84Å; L48-I300 CarbonylContact O-C 3.59Å; L48-I300 VanDerWaalsContact O-CA 3.29Å; L48-I300 WeakPolarHBondContact O-CA 3.47Å; L48-I301 PolarHBondContact O-N 3.26Å; L48-W327 HydrophobicContact CB-CZ2 4.45Å; L48-W327 HydrophobicContact CD2-CH2 4.06Å; L48-W327 HydrophobicContact CD2-CZ2 4.16Å
49	P	83.7	Confident	71.2	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	150.2	159.7	30.1	-35.8	0	0	0	110.7	K51 L60 W184 I301 W327	P49-K51 WeakPolarHBondContact CB-O 2.92Å; P49-K51 WeakPolarHBondContact CG-O 3.48Å; P49-K51 PolarHBondContact O-N 3.38Å; P49-L60 HydrophobicContact CB-CD2 3.64Å; P49-L60 HydrophobicContact CG-CD2 4.28Å; P49-W184 HydrophobicContact CG-CB 3.9Å; P49-W184 HydrophobicContact CG-CD2 3.89Å; P49-W184 HydrophobicContact CG-CE3 4.35Å; P49-W184 HydrophobicContact CG-CG 3.61Å; P49-I301 WeakPolarHBondContact CA-O 3.46Å; P49-W327 HydrophobicContact CG-CZ2 3.91Å; P49-W327 PolarHBondContact O-NE1 2.97Å
50	N	86	Confident	72.5	Confident	34 Å²	34	30.1 Å²	30.1	18%	0.182	16%	0.163	C	C	.	.	S	Bend	trans	-63.4	-20.9	167.5	66.1	-28.2	0	0	0	113.1	I300 I301 D302	N50-I300 HydrophobicContact CB-CG2 4.04Å; N50-I301 PolarHBondContact N-O 3.45Å; N50-I301 PolarHBondContact OD1-O 2.78Å; N50-D302 VanDerWaalsContact ND2-CG 3.33Å; N50-D302 PolarHBondContact ND2-OD1 2.75Å
51	K	82.4	Confident	73.5	Confident	32 Å²	32	24.1 Å²	24.1	14%	0.139	14%	0.136	C	C	.	.	S	Bend	trans	-126.9	138.2	-176.2	-71	166.1	161.4	-142.7	0	111.1	P49 F53 E305 E310	P49-K51 WeakPolarHBondContact CB-O 2.92Å; P49-K51 WeakPolarHBondContact CG-O 3.48Å; P49-K51 PolarHBondContact O-N 3.38Å; K51-F53 VanDerWaalsContact C-N 3.3Å; K51-F53 WeakPolarHBondContact CB-O 3.49Å; K51-E305 PolarHBondContact NZ-O 3.27Å; K51-E310 WeakPolarHBondContact CD-OE1 3.47Å; K51-E310 WeakPolarHBondContact CE-OE1 3.47Å; K51-E310 WeakPolarHBondContact CE-OE2 3.27Å; K51-E310 WeakPolarHBondContact CG-OE1 3.41Å; K51-E310 VanDerWaalsContact NZ-CD 3.32Å; K51-E310 IonicContact NZ-OE1 2.63Å; K51-E310 PolarHBondContact NZ-OE1 3.07Å; K51-E310 IonicContact NZ-OE2 3.95Å; K51-E310 PolarHBondContact NZ-OE2 2.82Å
52	F	77	Confident	74.2	Confident	7 Å²	7	25.2 Å²	25.2	3%	0.031	15%	0.148	C	C	.	.	S	Bend	trans	-67.4	-37.1	177.3	-168.4	-112.7	0	0	0	111.6	I124 C183 W184 Y195 W327	F52-I124 HydrophobicContact CE1-CD1 4.49Å; F52-C183 HydrophobicContact CD1-CB 4.23Å; F52-C183 HydrophobicContact CE1-CB 3.88Å; F52-C183 CarbonylContact O-C 3.57Å; F52-C183 WeakPolarHBondContact O-CA 3.39Å; F52-W184 VanDerWaalsContact CD2-O 3.26Å; F52-W184 WeakPolarHBondContact CD2-O 3.12Å; F52-W184 WeakPolarHBondContact CE2-O 3.35Å; F52-W184 WeakPolarHBondContact CZ-O 3.37Å; F52-W184 PolarHBondContact O-N 2.94Å; F52-Y195 HydrophobicContact CE2-CE2 4.28Å; F52-W327 HydrophobicContact CB-CB 3.64Å; F52-W327 HydrophobicContact CB-CD2 3.93Å; F52-W327 HydrophobicContact CB-CE3 4.44Å; F52-W327 HydrophobicContact CB-CG 3.56Å; F52-W327 HydrophobicContact CD2-CB 4.36Å; F52-W327 AromaticContact CD2-CD2 3.64Å; F52-W327 HydrophobicContact CD2-CD2 3.64Å; F52-W327 AromaticContact CD2-CE3 3.3Å; F52-W327 HydrophobicContact CD2-CE3 3.3Å; F52-W327 HydrophobicContact CD2-CG 4.12Å; F52-W327 HydrophobicContact CD2-CH2 4.43Å; F52-W327 AromaticContact CD2-CZ3 3.72Å; F52-W327 HydrophobicContact CD2-CZ3 3.72Å; F52-W327 AromaticContact CE2-CE3 3.89Å; F52-W327 HydrophobicContact CE2-CE3 3.89Å; F52-W327 HydrophobicContact CE2-CZ3 4.04Å; F52-W327 HydrophobicContact CG-CB 4.3Å; F52-W327 HydrophobicContact CG-CD2 4.26Å; F52-W327 HydrophobicContact CG-CE3 4.28Å; F52-W327 HydrophobicContact CG-CG 4.29Å
53	F	76.6	Confident	74.8	Confident	6 Å²	6	24.9 Å²	24.9	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.1	178.5	-56.3	-73.5	0	0	0	110.5	K51 V176 M181 F182 C183 L320	K51-F53 VanDerWaalsContact C-N 3.3Å; K51-F53 WeakPolarHBondContact CB-O 3.49Å; F53-V176 HydrophobicContact CE1-CG2 4.43Å; F53-M181 HydrophobicContact CB-CE 4.26Å; F53-M181 HydrophobicContact CB-CG 4.1Å; F53-M181 HydrophobicContact CB-SD 3.74Å; F53-M181 HydrophobicContact CD1-CE 3.57Å; F53-M181 HydrophobicContact CD1-SD 4.19Å; F53-M181 HydrophobicContact CE1-CE 4.01Å; F53-M181 HydrophobicContact CG-CE 3.92Å; F53-M181 HydrophobicContact CG-SD 4.05Å; F53-F182 CarbonylContact C-O 3.57Å; F53-F182 VanDerWaalsContact CA-O 3.23Å; F53-F182 WeakPolarHBondContact CA-O 3.28Å; F53-C183 HydrophobicContact CD1-CB 3.58Å; F53-C183 HydrophobicContact CE1-CB 3.52Å; F53-L320 HydrophobicContact CE1-CD2 4.07Å; F53-L320 HydrophobicContact CE2-CB 4.4Å; F53-L320 WeakPolarHBondContact CE2-O 3.48Å; F53-L320 HydrophobicContact CZ-CB 4.17Å; F53-L320 HydrophobicContact CZ-CD2 3.65Å; F53-L320 HydrophobicContact CZ-CG 4.43Å
54	T	72.3	Confident	75	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	144.5	173.5	-179.2	0	0	0	0	110.8	K56 P57 F182 W184 E305	T54-K56 VanDerWaalsContact C-N 3.3Å; T54-K56 PolarHBondContact OG1-N 2.99Å; T54-P57 HydrophobicContact CG2-CB 4.16Å; T54-F182 PolarHBondContact N-O 3.37Å; T54-F182 PolarHBondContact O-N 3.32Å; T54-W184 VanDerWaalsContact CG2-NE1 3.34Å; T54-E305 VanDerWaalsContact CA-OE2 3.25Å; T54-E305 WeakPolarHBondContact CA-OE2 3.44Å; T54-E305 WeakPolarHBondContact CB-OE2 3.3Å; T54-E305 PolarHBondContact OG1-OE2 2.85Å
55	A	70.5	Confident	74.9	Confident	46 Å²	46	25.1 Å²	25.1	38%	0.38	15%	0.149	S	C	.	.	S	Bend	trans	-86.6	-5.3	169.8	0	0	0	0	0	111.9	P57 E305	A55-P57 VanDerWaalsContact C-CD 3.43Å; A55-E305 PolarHBondContact N-OE1 3.11Å; A55-E305 PolarHBondContact N-OE2 2.81Å
56	K	71.5	Confident	74.8	Confident	92 Å²	92	27.6 Å²	27.6	40%	0.4	17%	0.165	S	C	.	.			trans	-129.1	53.8	-175.7	-67.9	168.2	-160.7	163.1	0	112.7	T54 G58 K59 E305	T54-K56 VanDerWaalsContact C-N 3.3Å; T54-K56 PolarHBondContact OG1-N 2.99Å; K56-G58 PolarHBondContact O-N 2.71Å; K56-G58 VanDerWaalsContact O-N 3.16Å; K56-K59 HydrophobicContact CB-CB 4.23Å; K56-K59 HydrophobicContact CB-CD 4.2Å; K56-K59 HydrophobicContact CB-CG 4.11Å; K56-K59 HydrophobicContact CD-CD 3.88Å; K56-K59 HydrophobicContact CG-CD 4.44Å; K56-K59 PolarHBondContact O-N 3.44Å; K56-E305 VanDerWaalsContact CB-OE1 3.31Å; K56-E305 WeakPolarHBondContact CB-OE1 3.3Å; K56-E305 HydrophobicContact CD-CG 4.17Å; K56-E305 WeakPolarHBondContact CD-OE1 3.08Å; K56-E305 WeakPolarHBondContact CE-OE1 3.39Å; K56-E305 WeakPolarHBondContact CG-OE1 3.21Å; K56-E305 PolarHBondContact N-OE1 3.46Å; K56-E305 IonicContact NZ-OE1 3.73Å
57	P	68.4	Low	74.6	Confident	16 Å²	16	27.5 Å²	27.5	10%	0.104	16%	0.164	C	C	.	.	H	α-helix	trans	-57.5	-34.2	177.8	29	-38.9	0	0	0	112.2	T54 A55 K59 L60 V61 F182	T54-P57 HydrophobicContact CG2-CB 4.16Å; A55-P57 VanDerWaalsContact C-CD 3.43Å; P57-K59 VanDerWaalsContact C-N 3.3Å; P57-K59 PolarHBondContact O-N 2.99Å; P57-L60 WeakPolarHBondContact O-CB 3.31Å; P57-L60 PolarHBondContact O-N 3.32Å; P57-V61 WeakPolarHBondContact O-CG2 3.35Å; P57-V61 PolarHBondContact O-N 3.3Å; P57-F182 HydrophobicContact CB-CB 4.18Å; P57-F182 HydrophobicContact CB-CG 4.2Å; P57-F182 HydrophobicContact CG-CB 3.99Å; P57-F182 HydrophobicContact CG-CD1 3.99Å; P57-F182 HydrophobicContact CG-CD2 3.55Å; P57-F182 HydrophobicContact CG-CE1 4.35Å; P57-F182 HydrophobicContact CG-CE2 3.94Å; P57-F182 HydrophobicContact CG-CG 3.58Å; P57-F182 HydrophobicContact CG-CZ 4.32Å
58	G	66.8	Low	74.3	Confident	51 Å²	51	27.7 Å²	27.7	53%	0.526	17%	0.165	S	C	.	.	H	α-helix	trans	-61.7	-32.7	177.7	0	0	0	0	0	113.9	K56 S62	K56-G58 PolarHBondContact O-N 2.71Å; K56-G58 VanDerWaalsContact O-N 3.16Å; G58-S62 WeakPolarHBondContact O-CB 3.46Å; G58-S62 PolarHBondContact O-N 3.03Å
59	K	73.5	Confident	73.7	Confident	109 Å²	109	30.6 Å²	30.6	47%	0.474	18%	0.179	S	C	.	.	H	α-helix	trans	-67.3	-44	175.3	-74.6	-165	177.6	-169.5	0	111.4	K56 P57 S62 A63 I346	K56-K59 HydrophobicContact CB-CB 4.23Å; K56-K59 HydrophobicContact CB-CD 4.2Å; K56-K59 HydrophobicContact CB-CG 4.11Å; K56-K59 HydrophobicContact CD-CD 3.88Å; K56-K59 HydrophobicContact CG-CD 4.44Å; K56-K59 PolarHBondContact O-N 3.44Å; P57-K59 VanDerWaalsContact C-N 3.3Å; P57-K59 PolarHBondContact O-N 2.99Å; K59-S62 PolarHBondContact O-N 3.3Å; K59-A63 WeakPolarHBondContact O-CB 3.2Å; K59-A63 PolarHBondContact O-N 2.81Å; K59-I346 HydrophobicContact CB-CD1 4.23Å
60	L	72.3	Confident	73.1	Confident	1 Å²	1	33 Å²	33	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-49.6	178	177	52.9	0	0	0	111	P49 P57 S62 A63 I64 W184 I301 T303	P49-L60 HydrophobicContact CB-CD2 3.64Å; P49-L60 HydrophobicContact CG-CD2 4.28Å; P57-L60 WeakPolarHBondContact O-CB 3.31Å; P57-L60 PolarHBondContact O-N 3.32Å; L60-S62 VanDerWaalsContact C-N 3.34Å; L60-S62 PolarHBondContact O-N 3.03Å; L60-A63 WeakPolarHBondContact O-CB 2.95Å; L60-A63 PolarHBondContact O-N 3Å; L60-I64 HydrophobicContact CD1-CD1 3.89Å; L60-I64 HydrophobicContact CD1-CG1 4.27Å; L60-I64 HydrophobicContact CG-CD1 4.06Å; L60-I64 VanDerWaalsContact O-CG1 3.27Å; L60-I64 WeakPolarHBondContact O-CG1 3.5Å; L60-I64 PolarHBondContact O-N 2.88Å; L60-W184 HydrophobicContact CB-CZ2 4.14Å; L60-W184 HydrophobicContact CD2-CD2 4.15Å; L60-W184 HydrophobicContact CD2-CH2 3.68Å; L60-W184 HydrophobicContact CD2-CZ2 3.14Å; L60-W184 HydrophobicContact CD2-CZ3 4.34Å; L60-W184 HydrophobicContact CG-CH2 3.92Å; L60-W184 HydrophobicContact CG-CZ2 3.65Å; L60-I301 HydrophobicContact CD1-CB 3.56Å; L60-I301 HydrophobicContact CD1-CD1 3.62Å; L60-I301 HydrophobicContact CD1-CG1 4.14Å; L60-I301 HydrophobicContact CD1-CG2 3.46Å; L60-I301 VanDerWaalsContact CD1-CG2 3.46Å; L60-T303 HydrophobicContact CB-CG2 4.17Å; L60-T303 HydrophobicContact CD2-CG2 4.36Å
61	V	69	Low	72.3	Confident	10 Å²	10	31.6 Å²	31.6	6%	0.061	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-40.4	178.6	178.8	0	0	0	0	111.4	P57 A63 I64 N65 M89 T93 W184	P57-V61 WeakPolarHBondContact O-CG2 3.35Å; P57-V61 PolarHBondContact O-N 3.3Å; V61-A63 VanDerWaalsContact C-N 3.34Å; V61-A63 PolarHBondContact O-N 2.86Å; V61-I64 PolarHBondContact O-N 3.25Å; V61-N65 WeakPolarHBondContact O-CB 3.08Å; V61-N65 PolarHBondContact O-N 3.3Å; V61-N65 PolarHBondContact O-ND2 2.82Å; V61-M89 HydrophobicContact CG1-CG 4.19Å; V61-M89 HydrophobicContact CG1-SD 4.49Å; V61-T93 HydrophobicContact CB-CG2 3.89Å; V61-T93 HydrophobicContact CG1-CG2 3.33Å; V61-T93 HydrophobicContact CG2-CG2 3.79Å; V61-W184 HydrophobicContact CG2-CH2 4.11Å; V61-W184 HydrophobicContact CG2-CZ2 4.33Å
62	S	70.2	Confident	71.3	Confident	67 Å²	67	31 Å²	31	47%	0.469	18%	0.183	S	C	.	.	H	α-helix	trans	-59.5	-43.6	174.5	-176.7	0	0	0	0	112.1	G58 K59 L60 I64 N65 T66	G58-S62 WeakPolarHBondContact O-CB 3.46Å; G58-S62 PolarHBondContact O-N 3.03Å; K59-S62 PolarHBondContact O-N 3.3Å; L60-S62 VanDerWaalsContact C-N 3.34Å; L60-S62 PolarHBondContact O-N 3.03Å; S62-I64 PolarHBondContact O-N 3.21Å; S62-N65 PolarHBondContact O-N 2.85Å; S62-T66 WeakPolarHBondContact O-CB 3.33Å; S62-T66 PolarHBondContact O-N 3.19Å; S62-T66 PolarHBondContact O-OG1 3.08Å
63	A	75.4	Confident	70.5	Confident	12 Å²	12	36.6 Å²	36.6	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-42.8	176.2	0	0	0	0	0	112	K59 L60 V61 T66 L67 Y344 I346	K59-A63 WeakPolarHBondContact O-CB 3.2Å; K59-A63 PolarHBondContact O-N 2.81Å; L60-A63 WeakPolarHBondContact O-CB 2.95Å; L60-A63 PolarHBondContact O-N 3Å; V61-A63 VanDerWaalsContact C-N 3.34Å; V61-A63 PolarHBondContact O-N 2.86Å; A63-T66 PolarHBondContact O-N 2.79Å; A63-L67 WeakPolarHBondContact O-CB 3.37Å; A63-L67 PolarHBondContact O-N 3.45Å; A63-Y344 HydrophobicContact CB-CE1 4.5Å; A63-I346 HydrophobicContact CB-CD1 4.04Å; A63-I346 HydrophobicContact CB-CG1 4.14Å
64	I	73.4	Confident	69.5	Low	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-46.9	177.7	-63.6	167	0	0	0	111.2	V47 L60 V61 S62 T66 L67 V68 M89 I170 I301	V47-I64 HydrophobicContact CG1-CD1 3.65Å; V47-I64 HydrophobicContact CG1-CG1 3.92Å; L60-I64 HydrophobicContact CD1-CD1 3.89Å; L60-I64 HydrophobicContact CD1-CG1 4.27Å; L60-I64 HydrophobicContact CG-CD1 4.06Å; L60-I64 VanDerWaalsContact O-CG1 3.27Å; L60-I64 WeakPolarHBondContact O-CG1 3.5Å; L60-I64 PolarHBondContact O-N 2.88Å; V61-I64 PolarHBondContact O-N 3.25Å; S62-I64 PolarHBondContact O-N 3.21Å; I64-T66 VanDerWaalsContact C-N 3.29Å; I64-T66 PolarHBondContact O-N 2.86Å; I64-L67 WeakPolarHBondContact O-CB 3.36Å; I64-L67 PolarHBondContact O-N 3.09Å; I64-V68 HydrophobicContact CG2-CG2 4.47Å; I64-V68 WeakPolarHBondContact O-CG2 3.11Å; I64-V68 PolarHBondContact O-N 3.37Å; I64-M89 HydrophobicContact CB-SD 4.29Å; I64-M89 HydrophobicContact CG2-CE 4.09Å; I64-M89 HydrophobicContact CG2-SD 3.63Å; I64-I170 HydrophobicContact CD1-CG1 4.45Å; I64-I170 HydrophobicContact CD1-CG2 3.7Å; I64-I170 HydrophobicContact CG2-CD1 3.4Å; I64-I170 HydrophobicContact CG2-CG1 3.93Å; I64-I301 HydrophobicContact CD1-CD1 4.09Å; I64-I301 HydrophobicContact CG1-CD1 3.5Å
65	N	70.8	Confident	68.4	Low	27 Å²	27	46.5 Å²	46.5	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-46	175.4	-77	-32.2	0	0	0	110.8	V61 S62 L67 V68 E69 M89	V61-N65 WeakPolarHBondContact O-CB 3.08Å; V61-N65 PolarHBondContact O-N 3.3Å; V61-N65 PolarHBondContact O-ND2 2.82Å; S62-N65 PolarHBondContact O-N 2.85Å; N65-L67 VanDerWaalsContact C-N 3.35Å; N65-L67 PolarHBondContact O-N 3.37Å; N65-V68 PolarHBondContact O-N 2.77Å; N65-E69 WeakPolarHBondContact O-CB 3.14Å; N65-E69 WeakPolarHBondContact O-CG 3.38Å; N65-E69 PolarHBondContact O-N 2.83Å; N65-M89 WeakPolarHBondContact OD1-CB 3.23Å; N65-M89 WeakPolarHBondContact OD1-CG 3.36Å; N65-M89 PolarHBondContact OD1-SD 2.82Å
66	T	73.5	Confident	67.1	Low	53 Å²	53	48.1 Å²	48.1	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-38.5	179.8	-53.1	0	0	0	0	111.7	S62 A63 I64 N70 L350	S62-T66 WeakPolarHBondContact O-CB 3.33Å; S62-T66 PolarHBondContact O-N 3.19Å; S62-T66 PolarHBondContact O-OG1 3.08Å; A63-T66 PolarHBondContact O-N 2.79Å; I64-T66 VanDerWaalsContact C-N 3.29Å; I64-T66 PolarHBondContact O-N 2.86Å; T66-N70 WeakPolarHBondContact CG2-ND2 3.44Å; T66-N70 WeakPolarHBondContact O-CB 3.16Å; T66-N70 PolarHBondContact O-N 2.92Å; T66-N70 PolarHBondContact O-ND2 2.64Å; T66-L350 HydrophobicContact CG2-CD1 3.46Å; T66-L350 VanDerWaalsContact CG2-CD1 3.46Å
67	L	75	Confident	65.4	Low	2 Å²	2	47.6 Å²	47.6	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-53.5	173.4	174	63.9	0	0	0	111.3	A63 I64 N65 E69 N70 I71 F168 L299 L350 L353 I354	A63-L67 WeakPolarHBondContact O-CB 3.37Å; A63-L67 PolarHBondContact O-N 3.45Å; I64-L67 WeakPolarHBondContact O-CB 3.36Å; I64-L67 PolarHBondContact O-N 3.09Å; N65-L67 VanDerWaalsContact C-N 3.35Å; N65-L67 PolarHBondContact O-N 3.37Å; L67-E69 VanDerWaalsContact C-N 3.3Å; L67-E69 PolarHBondContact O-N 3.16Å; L67-N70 PolarHBondContact O-N 2.89Å; L67-I71 HydrophobicContact CD1-CD1 3.75Å; L67-I71 HydrophobicContact CD1-CG1 4.08Å; L67-I71 HydrophobicContact CG-CD1 3.89Å; L67-I71 WeakPolarHBondContact O-CG1 3.41Å; L67-I71 PolarHBondContact O-N 3.18Å; L67-F168 HydrophobicContact CD2-CE1 4.08Å; L67-L299 HydrophobicContact CD2-CD2 3.42Å; L67-L299 VanDerWaalsContact CD2-CD2 3.42Å; L67-L350 HydrophobicContact CB-CD2 4.43Å; L67-L350 HydrophobicContact CD1-CD2 4.44Å; L67-L353 HydrophobicContact CD1-CD2 3.63Å; L67-L353 HydrophobicContact CD1-CG 3.78Å; L67-L353 HydrophobicContact CD2-CD2 3.83Å; L67-L353 HydrophobicContact CD2-CG 4.4Å; L67-L353 HydrophobicContact CG-CD2 4.24Å; L67-I354 HydrophobicContact CD1-CG1 3.77Å
68	V	70.7	Confident	63.7	Low	6 Å²	6	48.8 Å²	48.8	4%	0.036	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-44.1	-179.7	171.1	0	0	0	0	110.4	I64 N65 N70 C72 E145 I147 F168	I64-V68 HydrophobicContact CG2-CG2 4.47Å; I64-V68 WeakPolarHBondContact O-CG2 3.11Å; I64-V68 PolarHBondContact O-N 3.37Å; N65-V68 PolarHBondContact O-N 2.77Å; V68-N70 PolarHBondContact O-N 3.24Å; V68-C72 WeakPolarHBondContact O-CB 3.34Å; V68-C72 PolarHBondContact O-N 3.42Å; V68-C72 PolarHBondContact O-SG 3.46Å; V68-E145 HydrophobicContact CG1-CB 4.09Å; V68-E145 HydrophobicContact CG1-CG 4.1Å; V68-I147 HydrophobicContact CG1-CD1 4.25Å; V68-F168 HydrophobicContact CG2-CD2 4.41Å; V68-F168 HydrophobicContact CG2-CG 4.38Å
69	E	69.4	Low	62.1	Low	65 Å²	65	53.4 Å²	53.4	30%	0.304	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-44.6	175.6	-79.7	-166.8	-162.1	0	0	112.5	N65 L67 C72 K73 Y84	N65-E69 WeakPolarHBondContact O-CB 3.14Å; N65-E69 WeakPolarHBondContact O-CG 3.38Å; N65-E69 PolarHBondContact O-N 2.83Å; L67-E69 VanDerWaalsContact C-N 3.3Å; L67-E69 PolarHBondContact O-N 3.16Å; E69-C72 CarbonylContact O-C 3.55Å; E69-C72 WeakPolarHBondContact O-CB 3.3Å; E69-C72 PolarHBondContact O-N 3.15Å; E69-K73 WeakPolarHBondContact O-CB 3.44Å; E69-K73 VanDerWaalsContact O-CG 3.26Å; E69-K73 WeakPolarHBondContact O-CG 3.27Å; E69-K73 PolarHBondContact O-N 2.9Å; E69-K73 IonicContact OE2-NZ 2.88Å; E69-K73 PolarHBondContact OE2-NZ 2.76Å; E69-Y84 WeakPolarHBondContact CG-OH 3.35Å
70	N	71	Confident	60.3	Low	52 Å²	52	51.9 Å²	51.9	28%	0.278	30%	0.296	S	S	.	.	H	α-helix	trans	-71.2	-40.3	-178.4	-78.9	-50.4	0	0	0	112.5	T66 L67 V68 C72 K73 Q74 L350 I354	T66-N70 WeakPolarHBondContact CG2-ND2 3.44Å; T66-N70 WeakPolarHBondContact O-CB 3.16Å; T66-N70 PolarHBondContact O-N 2.92Å; T66-N70 PolarHBondContact O-ND2 2.64Å; L67-N70 PolarHBondContact O-N 2.89Å; V68-N70 PolarHBondContact O-N 3.24Å; N70-C72 PolarHBondContact O-N 2.92Å; N70-K73 CarbonylContact O-C 3.5Å; N70-K73 PolarHBondContact O-N 3.34Å; N70-Q74 WeakPolarHBondContact O-CG 3.22Å; N70-Q74 PolarHBondContact O-N 2.77Å; N70-L350 WeakPolarHBondContact ND2-CD1 3.4Å; N70-I354 HydrophobicContact CB-CD1 3.57Å
71	I	68.7	Low	58.4	Low	5 Å²	5	56.3 Å²	56.3	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-57.5	-41.5	170.9	-65.6	172.4	0	0	0	109.6	L67 K73 Q74 I147 I149 L166 F168 I354 V357	L67-I71 HydrophobicContact CD1-CD1 3.75Å; L67-I71 HydrophobicContact CD1-CG1 4.08Å; L67-I71 HydrophobicContact CG-CD1 3.89Å; L67-I71 WeakPolarHBondContact O-CG1 3.41Å; L67-I71 PolarHBondContact O-N 3.18Å; I71-K73 VanDerWaalsContact C-N 3.35Å; I71-K73 PolarHBondContact O-N 3.37Å; I71-Q74 PolarHBondContact O-N 2.98Å; I71-I147 HydrophobicContact CB-CD1 4.04Å; I71-I147 HydrophobicContact CG2-CD1 3.65Å; I71-I147 HydrophobicContact CG2-CG2 4.43Å; I71-I149 HydrophobicContact CG2-CD1 4.19Å; I71-L166 HydrophobicContact CG2-CD1 4.22Å; I71-F168 HydrophobicContact CD1-CE1 4.46Å; I71-F168 HydrophobicContact CD1-CE2 4.32Å; I71-F168 HydrophobicContact CD1-CZ 3.6Å; I71-I354 HydrophobicContact CG1-CB 4.44Å; I71-I354 HydrophobicContact CG1-CG1 3.95Å; I71-I354 HydrophobicContact CG1-CG2 3.89Å; I71-V357 HydrophobicContact CD1-CG1 4.36Å
72	C	61	Low	56.7	Low	19 Å²	19	57.4 Å²	57.4	13%	0.128	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-35.5	175.7	-70.2	0	0	0	0	113.1	V68 E69 N70 I82 Y84	V68-C72 WeakPolarHBondContact O-CB 3.34Å; V68-C72 PolarHBondContact O-N 3.42Å; V68-C72 PolarHBondContact O-SG 3.46Å; E69-C72 CarbonylContact O-C 3.55Å; E69-C72 WeakPolarHBondContact O-CB 3.3Å; E69-C72 PolarHBondContact O-N 3.15Å; N70-C72 PolarHBondContact O-N 2.92Å; C72-I82 HydrophobicContact CB-CD1 4.34Å; C72-I82 WeakPolarHBondContact O-CD1 3.41Å; C72-Y84 HydrophobicContact CB-CE2 4.38Å
73	K	59.9	Low	55.1	Low	125 Å²	125	61.1 Å²	61.1	54%	0.543	34%	0.339	S	S	.	.	H	α-helix	trans	-80.9	-13.7	-179.2	-73.9	170.2	-167.1	161.9	0	113.6	E69 N70 I71 K75	E69-K73 WeakPolarHBondContact O-CB 3.44Å; E69-K73 VanDerWaalsContact O-CG 3.26Å; E69-K73 WeakPolarHBondContact O-CG 3.27Å; E69-K73 PolarHBondContact O-N 2.9Å; E69-K73 IonicContact OE2-NZ 2.88Å; E69-K73 PolarHBondContact OE2-NZ 2.76Å; N70-K73 CarbonylContact O-C 3.5Å; N70-K73 PolarHBondContact O-N 3.34Å; I71-K73 VanDerWaalsContact C-N 3.35Å; I71-K73 PolarHBondContact O-N 3.37Å; K73-K75 PolarHBondContact O-N 3.2Å
74	Q	57.2	Low	53.2	Low	68 Å²	68	65.1 Å²	65.1	32%	0.318	35%	0.352	S	S	.	.			trans	-64.5	78	172.6	-75.6	-162.2	-10.7	0	0	110.5	N70 I71 V76 I354	N70-Q74 WeakPolarHBondContact O-CG 3.22Å; N70-Q74 PolarHBondContact O-N 2.77Å; I71-Q74 PolarHBondContact O-N 2.98Å; Q74-V76 PolarHBondContact O-N 3.3Å; Q74-I354 HydrophobicContact CG-CG2 4.36Å; Q74-I354 VanDerWaalsContact OE1-CG2 3.28Å
75	K	49	Very low	51.4	Low	149 Å²	149	68.3 Å²	68.3	65%	0.648	38%	0.379	S	S	*	.			trans	-65.9	95.5	168.6	-75.3	-174.4	173.6	-171.6	0	108.2	K73	K73-K75 PolarHBondContact O-N 3.2Å
76	V	41.7	Very low	49.5	Very low	81 Å²	81	70.7 Å²	70.7	49%	0.491	40%	0.398	S	S	.	.	S	Bend	trans	-90.7	98.9	147.8	-172.3	0	0	0	0	105.5	Q74 S78 R151	Q74-V76 PolarHBondContact O-N 3.3Å; V76-S78 PolarHBondContact O-N 3.34Å; V76-R151 HydrophobicContact CB-CB 4.3Å; V76-R151 HydrophobicContact CB-CG 4.42Å
77	G	36.5	Very low	47.7	Very low	81 Å²	81	70.5 Å²	70.5	84%	0.835	40%	0.395	S	S	*	.	S	Bend	trans	81.1	3.6	154.7	0	0	0	0	0	121.5
78	S	33.9	Very low	45.9	Very low	40 Å²	40	73.9 Å²	73.9	28%	0.28	41%	0.41	S	S	.	.			trans	-131.1	138.3	175.7	75.9	0	0	0	0	114.5	V76 N80	V76-S78 PolarHBondContact O-N 3.34Å; S78-N80 VanDerWaalsContact C-N 3.26Å; S78-N80 PolarHBondContact O-N 3.04Å
79	N	32.2	Very low	44.3	Very low	148 Å²	148	73.9 Å²	73.9	79%	0.791	41%	0.409	S	S	*	.			trans	-83.8	7.6	178.9	-87.9	-19.2	0	0	0	113.8
80	N	34.7	Very low	42.7	Very low	78 Å²	78	72.7 Å²	72.7	42%	0.417	41%	0.408	S	S	.	.	S	Bend	trans	-100.6	129.4	-179.5	-80	-24.4	0	0	0	110.9	S78 I82 D154	S78-N80 VanDerWaalsContact C-N 3.26Å; S78-N80 PolarHBondContact O-N 3.04Å; N80-I82 PolarHBondContact O-N 3.45Å; N80-D154 PolarHBondContact ND2-OD1 2.9Å
81	P	32.6	Very low	41.2	Very low	93 Å²	93	77.3 Å²	77.3	60%	0.604	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-54.8	136.7	176.4	21.7	-30.4	0	0	0	109.9	H83 K156	P81-H83 PolarHBondContact O-N 3.01Å; P81-H83 VanDerWaalsContact O-N 3.12Å; P81-K156 PolarHBondContact O-NZ 2.85Å
82	I	35	Very low	39.7	Very low	33 Å²	33	79.3 Å²	79.3	17%	0.169	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-57.8	119.5	158.3	-67.4	173.8	0	0	0	104.6	C72 N80 Y84 I147	C72-I82 HydrophobicContact CB-CD1 4.34Å; C72-I82 WeakPolarHBondContact O-CD1 3.41Å; N80-I82 PolarHBondContact O-N 3.45Å; I82-Y84 VanDerWaalsContact C-N 3.28Å; I82-Y84 PolarHBondContact O-N 2.95Å; I82-I147 HydrophobicContact CD1-CG2 4.03Å; I82-I147 HydrophobicContact CG2-CG2 4.04Å
83	H	35.8	Very low	38.7	Very low	146 Å²	146	80.8 Å²	80.8	68%	0.676	44%	0.444	S	S	*	.			trans	-63.5	98.3	176.7	-92.3	-73.8	0	0	0	107.3	P81 A85	P81-H83 PolarHBondContact O-N 3.01Å; P81-H83 VanDerWaalsContact O-N 3.12Å; H83-A85 PolarHBondContact O-N 2.88Å
84	Y	35.6	Very low	37.6	Very low	95 Å²	95	78.9 Å²	78.9	37%	0.373	45%	0.447	S	S	.	.			trans	-50.6	122	159.8	-90.6	-95.4	0	0	0	107.5	E69 C72 I82 S86 N87	E69-Y84 WeakPolarHBondContact CG-OH 3.35Å; C72-Y84 HydrophobicContact CB-CE2 4.38Å; I82-Y84 VanDerWaalsContact C-N 3.28Å; I82-Y84 PolarHBondContact O-N 2.95Å; Y84-S86 PolarHBondContact O-N 2.68Å; Y84-N87 HydrophobicContact CD1-CB 4.33Å; Y84-N87 HydrophobicContact CE1-CB 4.46Å
85	A	36.3	Very low	36.5	Very low	69 Å²	69	78.6 Å²	78.6	57%	0.57	45%	0.452	S	S	*	.			trans	-72.3	65.2	147.7	0	0	0	0	0	107.7	H83 N87	H83-A85 PolarHBondContact O-N 2.88Å; A85-N87 PolarHBondContact O-N 3.34Å
86	S	30.9	Very low	35.9	Very low	76 Å²	76	74.3 Å²	74.3	53%	0.531	44%	0.444	S	S	.	.			trans	22	88.9	174.1	67.7	0	0	0	0	115.8	Y84 K88	Y84-S86 PolarHBondContact O-N 2.68Å; S86-K88 WeakPolarHBondContact O-CG 3.37Å; S86-K88 PolarHBondContact O-N 2.61Å
87	N	34.7	Very low	35.6	Very low	49 Å²	49	76.5 Å²	76.5	26%	0.262	46%	0.457	S	S	.	.			trans	17.8	56.6	143.5	-160.3	-14	0	0	0	116.4	Y84 A85 S90	Y84-N87 HydrophobicContact CD1-CB 4.33Å; Y84-N87 HydrophobicContact CE1-CB 4.46Å; A85-N87 PolarHBondContact O-N 3.34Å; N87-S90 PolarHBondContact O-OG 2.86Å; N87-S90 WeakPolarHBondContact OD1-CB 3.38Å; N87-S90 PolarHBondContact OD1-N 3.41Å; N87-S90 VanDerWaalsContact OD1-N 3.17Å; N87-S90 PolarHBondContact OD1-OG 2.99Å
88	K	38.1	Very low	35.5	Very low	74 Å²	74	80.9 Å²	80.9	32%	0.322	46%	0.456	S	S	.	.	H	α-helix	trans	-79.1	-18.4	178.5	-82.4	-174	-167.9	164.3	0	111.3	S86 K91 M92 R139 R140	S86-K88 WeakPolarHBondContact O-CG 3.37Å; S86-K88 PolarHBondContact O-N 2.61Å; K88-K91 PolarHBondContact O-N 3.09Å; K88-M92 PolarHBondContact O-N 3.36Å; K88-R139 PolarHBondContact NZ-O 3.39Å; K88-R140 WeakPolarHBondContact CD-O 3.21Å; K88-R140 PolarHBondContact NZ-O 3.43Å
89	M	36.6	Very low	35.6	Very low	5 Å²	5	84.8 Å²	84.8	3%	0.025	47%	0.474	C	S	.	.	H	α-helix	trans	-60.2	-49.1	173.3	-154.1	178.2	-45.6	0	0	110.4	V61 I64 N65 K91 M92 T93 L143 E145 I170	V61-M89 HydrophobicContact CG1-CG 4.19Å; V61-M89 HydrophobicContact CG1-SD 4.49Å; I64-M89 HydrophobicContact CB-SD 4.29Å; I64-M89 HydrophobicContact CG2-CE 4.09Å; I64-M89 HydrophobicContact CG2-SD 3.63Å; N65-M89 WeakPolarHBondContact OD1-CB 3.23Å; N65-M89 WeakPolarHBondContact OD1-CG 3.36Å; N65-M89 PolarHBondContact OD1-SD 2.82Å; M89-K91 VanDerWaalsContact C-N 3.35Å; M89-K91 PolarHBondContact O-N 3.39Å; M89-M92 PolarHBondContact O-N 3.33Å; M89-T93 PolarHBondContact O-N 3.16Å; M89-T93 PolarHBondContact O-OG1 2.53Å; M89-T93 VanDerWaalsContact O-OG1 3.09Å; M89-L143 HydrophobicContact CB-CD2 4.28Å; M89-L143 HydrophobicContact CG-CD2 4.06Å; M89-E145 HydrophobicContact CE-CG 3.73Å; M89-I170 HydrophobicContact CE-CD1 3.11Å; M89-I170 HydrophobicContact SD-CD1 3.73Å
90	S	36.3	Very low	36	Very low	41 Å²	41	83.3 Å²	83.3	29%	0.287	46%	0.461	S	S	.	.	H	α-helix	trans	-60.5	-41.7	173.8	66.7	0	0	0	0	112.5	N87 T93 S94	N87-S90 PolarHBondContact O-OG 2.86Å; N87-S90 WeakPolarHBondContact OD1-CB 3.38Å; N87-S90 PolarHBondContact OD1-N 3.41Å; N87-S90 VanDerWaalsContact OD1-N 3.17Å; N87-S90 PolarHBondContact OD1-OG 2.99Å; S90-T93 PolarHBondContact O-N 2.74Å; S90-S94 VanDerWaalsContact O-CB 3.32Å; S90-S94 WeakPolarHBondContact O-CB 3.39Å; S90-S94 PolarHBondContact O-N 2.84Å; S90-S94 PolarHBondContact O-OG 3.44Å
91	K	38.4	Very low	36.3	Very low	149 Å²	149	84.9 Å²	84.9	65%	0.648	47%	0.466	S	S	*	.	H	α-helix	trans	-65.9	-40.1	179.6	-76.8	-168.9	176.7	-175.4	0	112.1	K88 M89 S94 S95	K88-K91 PolarHBondContact O-N 3.09Å; M89-K91 VanDerWaalsContact C-N 3.35Å; M89-K91 PolarHBondContact O-N 3.39Å; K91-S94 WeakPolarHBondContact CA-OG 3.21Å; K91-S94 PolarHBondContact O-OG 3.44Å; K91-S95 VanDerWaalsContact O-CB 3.29Å; K91-S95 WeakPolarHBondContact O-CB 3.36Å; K91-S95 PolarHBondContact O-N 3.19Å; K91-S95 PolarHBondContact O-OG 3.42Å
92	M	38.5	Very low	36.8	Very low	46 Å²	46	88 Å²	88	23%	0.227	47%	0.466	C	S	.	.	H	α-helix	trans	-73.5	-38.2	176.3	-91.5	-170.5	172.9	0	0	112.1	K88 M89 S95 A96 N141	K88-M92 PolarHBondContact O-N 3.36Å; M89-M92 PolarHBondContact O-N 3.33Å; M92-S95 PolarHBondContact O-N 2.92Å; M92-A96 VanDerWaalsContact O-CA 3.32Å; M92-A96 WeakPolarHBondContact O-CA 3.42Å; M92-A96 WeakPolarHBondContact O-CB 3.43Å; M92-A96 PolarHBondContact O-N 2.98Å; M92-N141 HydrophobicContact CE-CB 3.86Å; M92-N141 VanDerWaalsContact CE-OD1 3.28Å; M92-N141 WeakPolarHBondContact CE-OD1 3.15Å
93	T	39.4	Very low	37.2	Very low	51 Å²	51	88.4 Å²	88.4	31%	0.313	47%	0.466	S	S	.	.	H	α-helix	trans	-73.8	-31.1	175.8	48.3	0	0	0	0	114	V61 M89 S90	V61-T93 HydrophobicContact CB-CG2 3.89Å; V61-T93 HydrophobicContact CG1-CG2 3.33Å; V61-T93 HydrophobicContact CG2-CG2 3.79Å; M89-T93 PolarHBondContact O-N 3.16Å; M89-T93 PolarHBondContact O-OG1 2.53Å; M89-T93 VanDerWaalsContact O-OG1 3.09Å; S90-T93 PolarHBondContact O-N 2.74Å
94	S	36.6	Very low	37.7	Very low	85 Å²	85	82.2 Å²	82.2	59%	0.594	44%	0.436	S	S	*	.	H	α-helix	trans	-71.6	-35	173.1	50.9	0	0	0	0	112.4	S90 K91	S90-S94 VanDerWaalsContact O-CB 3.32Å; S90-S94 WeakPolarHBondContact O-CB 3.39Å; S90-S94 PolarHBondContact O-N 2.84Å; S90-S94 PolarHBondContact O-OG 3.44Å; K91-S94 WeakPolarHBondContact CA-OG 3.21Å; K91-S94 PolarHBondContact O-OG 3.44Å
95	S	33.6	Very low	38.3	Very low	61 Å²	61	80.1 Å²	80.1	43%	0.427	43%	0.432	S	S	.	.	H	α-helix	trans	-92.3	-18.8	177.7	62.9	0	0	0	0	115.3	K91 M92 V97 E98 D99	K91-S95 VanDerWaalsContact O-CB 3.29Å; K91-S95 WeakPolarHBondContact O-CB 3.36Å; K91-S95 PolarHBondContact O-N 3.19Å; K91-S95 PolarHBondContact O-OG 3.42Å; M92-S95 PolarHBondContact O-N 2.92Å; S95-V97 VanDerWaalsContact C-N 3.25Å; S95-V97 PolarHBondContact O-N 2.9Å; S95-E98 PolarHBondContact O-N 3.33Å; S95-D99 PolarHBondContact O-N 3.17Å; S95-D99 VanDerWaalsContact O-N 3.08Å
96	A	36.3	Very low	39	Very low	59 Å²	59	81.4 Å²	81.4	49%	0.488	43%	0.429	S	S	.	.	H	α-helix	trans	-72.1	-22.4	177.8	0	0	0	0	0	112	M92 E98	M92-A96 VanDerWaalsContact O-CA 3.32Å; M92-A96 WeakPolarHBondContact O-CA 3.42Å; M92-A96 WeakPolarHBondContact O-CB 3.43Å; M92-A96 PolarHBondContact O-N 2.98Å; A96-E98 VanDerWaalsContact C-N 3.32Å
97	V	35.2	Very low	39.6	Very low	127 Å²	127	77.8 Å²	77.8	77%	0.77	40%	0.404	S	S	*	.	H	α-helix	trans	-70.2	-32.3	173.2	-177.6	0	0	0	0	110.9	S95	S95-V97 VanDerWaalsContact C-N 3.25Å; S95-V97 PolarHBondContact O-N 2.9Å
98	E	34.7	Very low	40.2	Very low	174 Å²	174	76.9 Å²	76.9	81%	0.813	40%	0.399	S	S	*	.	H	α-helix	trans	-103.3	-20.8	-174.6	-73.9	-172.3	165.3	0	0	116	S95 A96	S95-E98 PolarHBondContact O-N 3.33Å; A96-E98 VanDerWaalsContact C-N 3.32Å
99	D	35.8	Very low	40.8	Very low	121 Å²	121	75.2 Å²	75.2	65%	0.647	39%	0.391	S	S	*	.	H	α-helix	trans	-143.6	9.7	-167.6	-119.5	-15.5	0	0	0	119.7	S95	S95-D99 PolarHBondContact O-N 3.17Å; S95-D99 VanDerWaalsContact O-N 3.08Å
100	K	40.6	Very low	41.4	Very low	118 Å²	118	78 Å²	78	51%	0.513	41%	0.409	S	S	.	.			trans	-141.5	37.4	-175.3	-70.2	-167.6	-175.4	179	0	117.5	Y102 W103	K100-Y102 PolarHBondContact O-N 3.23Å; K100-Y102 VanDerWaalsContact O-N 3.11Å; K100-W103 HydrophobicContact CB-CB 3.95Å; K100-W103 HydrophobicContact CD-CB 4.44Å; K100-W103 WeakPolarHBondContact O-CB 3.41Å; K100-W103 PolarHBondContact O-N 2.69Å
101	Q	41.7	Very low	42	Very low	111 Å²	111	85 Å²	85	52%	0.519	44%	0.437	S	S	.	.	H	α-helix	trans	-47.2	-32.7	149.7	-103.9	177.2	-9	0	0	110.7	W103 N105	Q101-W103 VanDerWaalsContact C-N 3.26Å; Q101-W103 PolarHBondContact O-N 2.82Å; Q101-N105 VanDerWaalsContact O-CG 3.25Å; Q101-N105 PolarHBondContact O-N 2.78Å; Q101-N105 VanDerWaalsContact O-N 3.1Å; Q101-N105 PolarHBondContact O-ND2 2.72Å
102	Y	43.3	Very low	42.5	Very low	157 Å²	157	82 Å²	82	62%	0.616	45%	0.448	S	S	*	.	H	α-helix	trans	-57.6	-28.8	172	-66.1	-71.8	0	0	0	115.4	K100 N105 N106	K100-Y102 PolarHBondContact O-N 3.23Å; K100-Y102 VanDerWaalsContact O-N 3.11Å; Y102-N105 CarbonylContact O-C 3.6Å; Y102-N105 PolarHBondContact O-N 3.11Å; Y102-N106 WeakPolarHBondContact O-CB 3.12Å; Y102-N106 PolarHBondContact O-N 3.5Å; Y102-N106 PolarHBondContact O-ND2 3.23Å; Y102-N106 VanDerWaalsContact O-ND2 3.15Å; Y102-N106 PolarHBondContact O-OD1 3.47Å
103	W	43.8	Very low	43.1	Very low	42 Å²	42	83 Å²	83	16%	0.159	45%	0.452	C	S	.	.	H	α-helix	trans	-70.1	-46.6	-175	-172.2	65.8	0	0	0	111.5	K100 Q101 N105 N106 L107 F131 V134 L172	K100-W103 HydrophobicContact CB-CB 3.95Å; K100-W103 HydrophobicContact CD-CB 4.44Å; K100-W103 WeakPolarHBondContact O-CB 3.41Å; K100-W103 PolarHBondContact O-N 2.69Å; Q101-W103 VanDerWaalsContact C-N 3.26Å; Q101-W103 PolarHBondContact O-N 2.82Å; W103-N105 VanDerWaalsContact C-N 3.34Å; W103-N106 CarbonylContact O-C 3.6Å; W103-N106 WeakPolarHBondContact O-CB 3.37Å; W103-N106 PolarHBondContact O-N 3.16Å; W103-N106 VanDerWaalsContact O-N 3.16Å; W103-L107 HydrophobicContact CD2-CD1 4.14Å; W103-L107 HydrophobicContact CE3-CD1 3.82Å; W103-L107 HydrophobicContact CH2-CD1 3.5Å; W103-L107 VanDerWaalsContact CH2-CD1 3.5Å; W103-L107 HydrophobicContact CH2-CG 4.5Å; W103-L107 HydrophobicContact CZ2-CD1 3.89Å; W103-L107 HydrophobicContact CZ2-CD2 4.43Å; W103-L107 HydrophobicContact CZ2-CG 4.45Å; W103-L107 HydrophobicContact CZ3-CD1 3.47Å; W103-L107 VanDerWaalsContact CZ3-CD1 3.47Å; W103-L107 WeakPolarHBondContact O-CG 3.38Å; W103-L107 PolarHBondContact O-N 3.19Å; W103-F131 AromaticContact CH2-CD2 3.97Å; W103-F131 HydrophobicContact CH2-CD2 3.97Å; W103-F131 HydrophobicContact CH2-CE2 4.19Å; W103-V134 HydrophobicContact CZ2-CB 4.22Å; W103-V134 HydrophobicContact CZ2-CG1 3.73Å; W103-L172 HydrophobicContact CE3-CD1 4.35Å; W103-L172 HydrophobicContact CH2-CB 4.48Å; W103-L172 HydrophobicContact CH2-CD1 3.07Å; W103-L172 HydrophobicContact CH2-CG 4.31Å; W103-L172 HydrophobicContact CZ2-CD1 3.98Å; W103-L172 HydrophobicContact CZ3-CB 3.98Å; W103-L172 HydrophobicContact CZ3-CD1 3.3Å; W103-L172 HydrophobicContact CZ3-CG 4.17Å
104	W	44.7	Very low	43.6	Very low	17 Å²	17	88.3 Å²	88.3	6%	0.064	47%	0.471	C	S	.	.	H	α-helix	trans	-68.2	-36.4	170.7	-78.3	100.5	0	0	0	111.8	N106 L107 L108 A127 L172 S173 S174 S185	W104-N106 PolarHBondContact O-N 2.78Å; W104-L107 HydrophobicContact CD2-CD1 3.88Å; W104-L107 HydrophobicContact CE3-CB 4.29Å; W104-L107 HydrophobicContact CE3-CD1 3.79Å; W104-L107 HydrophobicContact CG-CD1 4.47Å; W104-L107 HydrophobicContact CZ3-CD1 4.26Å; W104-L107 CarbonylContact O-C 3.49Å; W104-L107 WeakPolarHBondContact O-CA 3.21Å; W104-L107 WeakPolarHBondContact O-CB 3.42Å; W104-L107 PolarHBondContact O-N 2.87Å; W104-L108 HydrophobicContact CB-CD1 4.14Å; W104-L108 HydrophobicContact CE3-CD1 4.44Å; W104-L108 HydrophobicContact CE3-CD2 4.43Å; W104-L108 HydrophobicContact CE3-CG 4.27Å; W104-L108 WeakPolarHBondContact O-CB 3.34Å; W104-L108 WeakPolarHBondContact O-CG 3.35Å; W104-L108 PolarHBondContact O-N 2.92Å; W104-A127 HydrophobicContact CE3-CB 4.03Å; W104-A127 HydrophobicContact CZ3-CB 3.49Å; W104-A127 VanDerWaalsContact CZ3-CB 3.49Å; W104-L172 HydrophobicContact CZ2-CB 4.24Å; W104-S173 PolarHBondContact NE1-O 3.4Å; W104-S174 VanDerWaalsContact CB-OG 3.29Å; W104-S174 WeakPolarHBondContact CB-OG 3.41Å; W104-S174 VanDerWaalsContact CD2-CB 3.47Å; W104-S174 VanDerWaalsContact CE2-CB 3.4Å; W104-S174 VanDerWaalsContact NE1-CB 3.29Å; W104-S185 WeakPolarHBondContact CH2-OG 3.46Å; W104-S185 WeakPolarHBondContact CZ2-OG 3.49Å
105	N	49.6	Very low	44.1	Very low	51 Å²	51	87.2 Å²	87.2	27%	0.273	46%	0.463	S	S	.	.	H	α-helix	trans	-57.9	-36	170.9	-67.3	-12.9	0	0	0	111.7	Q101 Y102 W103 L107 F109	Q101-N105 VanDerWaalsContact O-CG 3.25Å; Q101-N105 PolarHBondContact O-N 2.78Å; Q101-N105 VanDerWaalsContact O-N 3.1Å; Q101-N105 PolarHBondContact O-ND2 2.72Å; Y102-N105 CarbonylContact O-C 3.6Å; Y102-N105 PolarHBondContact O-N 3.11Å; W103-N105 VanDerWaalsContact C-N 3.34Å; N105-L107 VanDerWaalsContact C-N 3.33Å; N105-F109 HydrophobicContact CB-CD2 3.77Å; N105-F109 HydrophobicContact CB-CE2 4.23Å; N105-F109 VanDerWaalsContact O-CA 3.3Å; N105-F109 WeakPolarHBondContact O-CA 3.44Å; N105-F109 WeakPolarHBondContact O-CB 3.12Å; N105-F109 WeakPolarHBondContact O-CD2 3.23Å; N105-F109 PolarHBondContact O-N 3.4Å; N105-F109 VanDerWaalsContact O-O 3.12Å; N105-F109 WeakPolarHBondContact OD1-CE2 3.47Å
106	N	49.8	Very low	44.8	Very low	95 Å²	95	92.8 Å²	92.8	51%	0.508	48%	0.482	S	S	.	.	H	α-helix	trans	-74.8	-19.3	174	-67.5	-26.5	0	0	0	113.4	Y102 W103 W104 R130	Y102-N106 WeakPolarHBondContact O-CB 3.12Å; Y102-N106 PolarHBondContact O-N 3.5Å; Y102-N106 PolarHBondContact O-ND2 3.23Å; Y102-N106 VanDerWaalsContact O-ND2 3.15Å; Y102-N106 PolarHBondContact O-OD1 3.47Å; W103-N106 CarbonylContact O-C 3.6Å; W103-N106 WeakPolarHBondContact O-CB 3.37Å; W103-N106 PolarHBondContact O-N 3.16Å; W103-N106 VanDerWaalsContact O-N 3.16Å; W104-N106 PolarHBondContact O-N 2.78Å; N106-R130 PolarHBondContact O-NH1 3.18Å
107	L	44.8	Very low	45.4	Very low	1 Å²	1	94.1 Å²	94.1	1%	0.005	49%	0.488	C	S	.	.	H	α-helix	trans	-85	-40.5	172.9	-69.7	177	0	0	0	111.7	W103 W104 N105 A127 R130 V134	W103-L107 HydrophobicContact CD2-CD1 4.14Å; W103-L107 HydrophobicContact CE3-CD1 3.82Å; W103-L107 HydrophobicContact CH2-CD1 3.5Å; W103-L107 VanDerWaalsContact CH2-CD1 3.5Å; W103-L107 HydrophobicContact CH2-CG 4.5Å; W103-L107 HydrophobicContact CZ2-CD1 3.89Å; W103-L107 HydrophobicContact CZ2-CD2 4.43Å; W103-L107 HydrophobicContact CZ2-CG 4.45Å; W103-L107 HydrophobicContact CZ3-CD1 3.47Å; W103-L107 VanDerWaalsContact CZ3-CD1 3.47Å; W103-L107 WeakPolarHBondContact O-CG 3.38Å; W103-L107 PolarHBondContact O-N 3.19Å; W104-L107 HydrophobicContact CD2-CD1 3.88Å; W104-L107 HydrophobicContact CE3-CB 4.29Å; W104-L107 HydrophobicContact CE3-CD1 3.79Å; W104-L107 HydrophobicContact CG-CD1 4.47Å; W104-L107 HydrophobicContact CZ3-CD1 4.26Å; W104-L107 CarbonylContact O-C 3.49Å; W104-L107 WeakPolarHBondContact O-CA 3.21Å; W104-L107 WeakPolarHBondContact O-CB 3.42Å; W104-L107 PolarHBondContact O-N 2.87Å; N105-L107 VanDerWaalsContact C-N 3.33Å; L107-A127 HydrophobicContact CB-CB 4.46Å; L107-R130 HydrophobicContact CB-CB 4.45Å; L107-R130 VanDerWaalsContact CD2-C 3.48Å; L107-R130 HydrophobicContact CD2-CB 3.37Å; L107-R130 HydrophobicContact CG-CB 4.5Å; L107-R130 VanDerWaalsContact O-CD 3.3Å; L107-R130 WeakPolarHBondContact O-CD 3.33Å; L107-V134 HydrophobicContact CD2-CG2 3.9Å
108	L	47.5	Very low	46.1	Very low	30 Å²	30	89.6 Å²	89.6	16%	0.157	46%	0.46	C	S	.	.	H	α-helix	trans	-84.3	-42.7	-173.7	-65.1	171.5	0	0	0	111.5	W104 L123 A127	W104-L108 HydrophobicContact CB-CD1 4.14Å; W104-L108 HydrophobicContact CE3-CD1 4.44Å; W104-L108 HydrophobicContact CE3-CD2 4.43Å; W104-L108 HydrophobicContact CE3-CG 4.27Å; W104-L108 WeakPolarHBondContact O-CB 3.34Å; W104-L108 WeakPolarHBondContact O-CG 3.35Å; W104-L108 PolarHBondContact O-N 2.92Å; L108-L123 HydrophobicContact CB-CD2 4.07Å; L108-L123 HydrophobicContact CD2-CB 4.02Å; L108-L123 HydrophobicContact CD2-CD2 4.38Å; L108-L123 VanDerWaalsContact CD2-O 3.27Å; L108-L123 WeakPolarHBondContact CD2-O 3.31Å; L108-A127 HydrophobicContact CD2-CB 3.82Å
109	F	49.6	Very low	46.7	Very low	38 Å²	38	83.4 Å²	83.4	17%	0.167	43%	0.434	C	S	.	.			trans	-111.3	133.6	-173.7	-47.7	-62.4	0	0	0	110.6	N105 L123 R130	N105-F109 HydrophobicContact CB-CD2 3.77Å; N105-F109 HydrophobicContact CB-CE2 4.23Å; N105-F109 VanDerWaalsContact O-CA 3.3Å; N105-F109 WeakPolarHBondContact O-CA 3.44Å; N105-F109 WeakPolarHBondContact O-CB 3.12Å; N105-F109 WeakPolarHBondContact O-CD2 3.23Å; N105-F109 PolarHBondContact O-N 3.4Å; N105-F109 VanDerWaalsContact O-O 3.12Å; N105-F109 WeakPolarHBondContact OD1-CE2 3.47Å; F109-L123 HydrophobicContact CD1-CD2 4.24Å; F109-L123 HydrophobicContact CE1-CD2 3.72Å; F109-L123 HydrophobicContact CZ-CD2 4.43Å; F109-R130 PolarHBondContact O-NH1 2.93Å
110	V	48.9	Very low	47.3	Very low	65 Å²	65	79.3 Å²	79.3	39%	0.394	41%	0.414	S	S	.	.			trans	-70.5	142.3	157.3	-170.9	0	0	0	0	106.9	G112 E113	V110-G112 PolarHBondContact O-N 3.09Å; V110-G112 VanDerWaalsContact O-N 3.08Å; V110-E113 HydrophobicContact CB-CG 4.17Å; V110-E113 WeakPolarHBondContact CB-OE2 3.49Å; V110-E113 WeakPolarHBondContact CG2-OE2 3.32Å; V110-E113 PolarHBondContact N-OE2 3.1Å; V110-E113 PolarHBondContact O-N 3.47Å
111	Q	49.8	Very low	47.7	Very low	188 Å²	188	74.5 Å²	74.5	88%	0.879	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	120.7	170.1	-107.6	-179.8	-7.8	0	0	110
112	G	49.2	Very low	48.1	Very low	85 Å²	85	70.2 Å²	70.2	88%	0.876	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.7	-9.2	-179.7	0	0	0	0	0	115.9	V110	V110-G112 PolarHBondContact O-N 3.09Å; V110-G112 VanDerWaalsContact O-N 3.08Å
113	E	50.5	Low	48.5	Very low	67 Å²	67	64.3 Å²	64.3	31%	0.313	35%	0.353	S	S	.	.			trans	-84.6	143.3	174.8	-77.3	174.9	151.9	0	0	112.5	V110 R126	V110-E113 HydrophobicContact CB-CG 4.17Å; V110-E113 WeakPolarHBondContact CB-OE2 3.49Å; V110-E113 WeakPolarHBondContact CG2-OE2 3.32Å; V110-E113 PolarHBondContact N-OE2 3.1Å; V110-E113 PolarHBondContact O-N 3.47Å; E113-R126 IonicContact OE1-CZ 3.73Å; E113-R126 IonicContact OE1-NH1 3.02Å; E113-R126 PolarHBondContact OE1-NH1 2.74Å; E113-R126 IonicContact OE1-NH2 3.93Å; E113-R126 PolarHBondContact OE1-NH2 3.41Å; E113-R126 IonicContact OE2-CZ 3.02Å; E113-R126 IonicContact OE2-NH1 2.85Å; E113-R126 PolarHBondContact OE2-NH1 2.92Å; E113-R126 IonicContact OE2-NH2 3.41Å
114	K	49.6	Very low	48.8	Very low	162 Å²	162	63.6 Å²	63.6	70%	0.704	35%	0.352	S	S	*	.			trans	-89.9	131.8	167.4	-67.8	-175	178.6	-177	0	109.6	E116 S117	K114-E116 PolarHBondContact O-N 3.38Å; K114-E116 VanDerWaalsContact O-N 3.07Å; K114-S117 PolarHBondContact O-N 3.19Å; K114-S117 PolarHBondContact O-OG 3.43Å
115	S	46.7	Very low	49	Very low	62 Å²	62	64 Å²	64	43%	0.434	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-56.8	-25.7	-177.7	60.1	0	0	0	0	114.5	S117	S115-S117 PolarHBondContact O-N 2.77Å; S115-S117 VanDerWaalsContact O-N 3.17Å
116	E	48.6	Very low	49.1	Very low	178 Å²	178	64.3 Å²	64.3	83%	0.832	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-67	-13.3	-174	-64.6	169.7	177.6	0	0	114.1	K114	K114-E116 PolarHBondContact O-N 3.38Å; K114-E116 VanDerWaalsContact O-N 3.07Å
117	S	49.3	Very low	49.2	Very low	88 Å²	88	60 Å²	60	62%	0.615	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-95.5	-14.7	-174.7	60.5	0	0	0	0	115.2	K114 S115	K114-S117 PolarHBondContact O-N 3.19Å; K114-S117 PolarHBondContact O-OG 3.43Å; S115-S117 PolarHBondContact O-N 2.77Å; S115-S117 VanDerWaalsContact O-N 3.17Å
118	L	48.8	Very low	49.4	Very low	31 Å²	31	61 Å²	61	16%	0.162	34%	0.336	C	S	.	.	S	Bend	trans	-102.3	134.9	-171.3	-62.5	174.2	0	0	0	111.3	T122 L123 R126	L118-T122 HydrophobicContact CD2-CG2 3.86Å; L118-L123 HydrophobicContact CB-CD1 4.45Å; L118-L123 HydrophobicContact CB-CD2 3.95Å; L118-L123 HydrophobicContact CB-CG 3.83Å; L118-L123 HydrophobicContact CD1-CD2 3.71Å; L118-L123 HydrophobicContact CD1-CG 4.44Å; L118-L123 HydrophobicContact CG-CD2 4.49Å; L118-R126 VanDerWaalsContact CD1-NH1 3.28Å
119	T	47.9	Very low	49.5	Very low	44 Å²	44	60.7 Å²	60.7	27%	0.27	33%	0.334	S	S	.	.			trans	-64.3	149.3	170.2	63.7	0	0	0	0	109.9	F121 T122 L123	T119-F121 PolarHBondContact O-N 2.86Å; T119-F121 VanDerWaalsContact O-N 3.17Å; T119-T122 PolarHBondContact O-N 2.99Å; T119-T122 PolarHBondContact OG1-N 3.35Å; T119-T122 PolarHBondContact OG1-OG1 2.79Å; T119-L123 PolarHBondContact O-N 2.9Å
120	P	49.2	Very low	49.5	Very low	36 Å²	36	61.6 Å²	61.6	23%	0.234	34%	0.337	C	S	.	.	H	α-helix	trans	-54	-33.9	174.2	-32.6	41.8	0	0	0	113.3	L123 I124 E319 L323	P120-L123 PolarHBondContact O-N 3.22Å; P120-I124 WeakPolarHBondContact O-CB 3.4Å; P120-I124 WeakPolarHBondContact O-CG1 3.41Å; P120-I124 PolarHBondContact O-N 3.22Å; P120-E319 HydrophobicContact CB-CB 3.69Å; P120-E319 HydrophobicContact CB-CG 4.21Å; P120-E319 HydrophobicContact CG-CB 3.58Å; P120-E319 HydrophobicContact CG-CG 3.74Å; P120-L323 HydrophobicContact CB-CD1 4.4Å
121	F	48	Very low	49.5	Very low	17 Å²	17	59.2 Å²	59.2	8%	0.075	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-51.3	169.7	175.7	-101.8	0	0	0	112.2	T119 L123 I124 L125 W199 L217 I225	T119-F121 PolarHBondContact O-N 2.86Å; T119-F121 VanDerWaalsContact O-N 3.17Å; F121-L123 PolarHBondContact O-N 3.39Å; F121-I124 PolarHBondContact O-N 3.13Å; F121-L125 HydrophobicContact CD1-CD2 4.49Å; F121-L125 HydrophobicContact CE1-CB 4.21Å; F121-L125 HydrophobicContact CE1-CD2 3.58Å; F121-L125 HydrophobicContact CE1-CG 4.42Å; F121-L125 HydrophobicContact CE2-CB 4.42Å; F121-L125 HydrophobicContact CZ-CB 4.19Å; F121-L125 HydrophobicContact CZ-CD1 4.39Å; F121-L125 HydrophobicContact CZ-CD2 3.72Å; F121-L125 HydrophobicContact CZ-CG 4.3Å; F121-L125 WeakPolarHBondContact O-CB 3.09Å; F121-L125 PolarHBondContact O-N 3.16Å; F121-W199 AromaticContact CD2-CD1 3.41Å; F121-W199 VanDerWaalsContact CD2-CD1 3.41Å; F121-W199 AromaticContact CD2-CE2 3.88Å; F121-W199 HydrophobicContact CD2-CG 4.33Å; F121-W199 AromaticContact CD2-NE1 3.05Å; F121-W199 AromaticContact CE2-CD1 3.32Å; F121-W199 HydrophobicContact CE2-CG 4.3Å; F121-W199 AromaticContact CE2-NE1 3.49Å; F121-W199 AromaticContact CG-NE1 3.95Å; F121-L217 HydrophobicContact CD1-CD1 3.52Å; F121-L217 HydrophobicContact CD1-CD2 3.78Å; F121-L217 HydrophobicContact CD1-CG 4.04Å; F121-L217 HydrophobicContact CD2-CD1 4.38Å; F121-L217 HydrophobicContact CE1-CD1 3.6Å; F121-L217 HydrophobicContact CE1-CD2 3.51Å; F121-L217 HydrophobicContact CE1-CG 4.12Å; F121-L217 HydrophobicContact CE2-CD1 4.44Å; F121-L217 HydrophobicContact CG-CD1 3.89Å; F121-L217 HydrophobicContact CZ-CD1 4.06Å; F121-L217 HydrophobicContact CZ-CD2 4.45Å; F121-I225 HydrophobicContact CE1-CD1 4.44Å; F121-I225 HydrophobicContact CE2-CD1 4.39Å; F121-I225 HydrophobicContact CZ-CD1 3.69Å; F121-I225 HydrophobicContact CZ-CG1 4.21Å
122	T	50.5	Low	49.4	Very low	21 Å²	21	52.7 Å²	52.7	13%	0.129	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-38.9	-178.8	-53.7	0	0	0	0	110.9	L118 T119 R126	L118-T122 HydrophobicContact CD2-CG2 3.86Å; T119-T122 PolarHBondContact O-N 2.99Å; T119-T122 PolarHBondContact OG1-N 3.35Å; T119-T122 PolarHBondContact OG1-OG1 2.79Å; T122-R126 HydrophobicContact CG2-CG 4.32Å; T122-R126 WeakPolarHBondContact O-CB 3.45Å; T122-R126 WeakPolarHBondContact O-CD 3.25Å; T122-R126 WeakPolarHBondContact O-CG 3.46Å; T122-R126 PolarHBondContact O-N 3.1Å
123	L	50.9	Low	49.2	Very low	32 Å²	32	49.8 Å²	49.8	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-48.5	175.3	-73.4	172.7	0	0	0	111.5	L108 F109 L118 T119 P120 F121 R126 A127	L108-L123 HydrophobicContact CB-CD2 4.07Å; L108-L123 HydrophobicContact CD2-CB 4.02Å; L108-L123 HydrophobicContact CD2-CD2 4.38Å; L108-L123 VanDerWaalsContact CD2-O 3.27Å; L108-L123 WeakPolarHBondContact CD2-O 3.31Å; F109-L123 HydrophobicContact CD1-CD2 4.24Å; F109-L123 HydrophobicContact CE1-CD2 3.72Å; F109-L123 HydrophobicContact CZ-CD2 4.43Å; L118-L123 HydrophobicContact CB-CD1 4.45Å; L118-L123 HydrophobicContact CB-CD2 3.95Å; L118-L123 HydrophobicContact CB-CG 3.83Å; L118-L123 HydrophobicContact CD1-CD2 3.71Å; L118-L123 HydrophobicContact CD1-CG 4.44Å; L118-L123 HydrophobicContact CG-CD2 4.49Å; T119-L123 PolarHBondContact O-N 2.9Å; P120-L123 PolarHBondContact O-N 3.22Å; F121-L123 PolarHBondContact O-N 3.39Å; L123-R126 PolarHBondContact O-N 3.28Å; L123-A127 WeakPolarHBondContact O-CB 3.5Å; L123-A127 PolarHBondContact O-N 2.97Å
124	I	50.1	Low	48.9	Very low	27 Å²	27	48.6 Å²	48.6	14%	0.138	25%	0.252	C	S	.	.	H	α-helix	trans	-73.2	-42.8	-177.2	-72.5	170.1	0	0	0	111.5	F52 P120 F121 R126 A127 L128 Y195 L323	F52-I124 HydrophobicContact CE1-CD1 4.49Å; P120-I124 WeakPolarHBondContact O-CB 3.4Å; P120-I124 WeakPolarHBondContact O-CG1 3.41Å; P120-I124 PolarHBondContact O-N 3.22Å; F121-I124 PolarHBondContact O-N 3.13Å; I124-R126 VanDerWaalsContact C-N 3.31Å; I124-R126 PolarHBondContact O-N 3.47Å; I124-A127 CarbonylContact O-C 3.58Å; I124-A127 WeakPolarHBondContact O-CB 3.16Å; I124-A127 PolarHBondContact O-N 2.97Å; I124-A127 VanDerWaalsContact O-N 3.14Å; I124-L128 HydrophobicContact CG2-CD1 3.94Å; I124-L128 HydrophobicContact CG2-CG 4.28Å; I124-L128 WeakPolarHBondContact O-CB 3.42Å; I124-L128 VanDerWaalsContact O-CG 3.22Å; I124-L128 WeakPolarHBondContact O-CG 3.46Å; I124-L128 PolarHBondContact O-N 2.94Å; I124-Y195 HydrophobicContact CG2-CE1 3.79Å; I124-L323 HydrophobicContact CD1-CD1 3.06Å; I124-L323 HydrophobicContact CD1-CD2 3.45Å; I124-L323 VanDerWaalsContact CD1-CD2 3.45Å; I124-L323 HydrophobicContact CD1-CG 3.8Å
125	L	50.4	Low	48.5	Very low	26 Å²	26	42 Å²	42	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-57	-48.3	172.6	-177	66.1	0	0	0	109.8	F121 A127 L128 I129	F121-L125 HydrophobicContact CD1-CD2 4.49Å; F121-L125 HydrophobicContact CE1-CB 4.21Å; F121-L125 HydrophobicContact CE1-CD2 3.58Å; F121-L125 HydrophobicContact CE1-CG 4.42Å; F121-L125 HydrophobicContact CE2-CB 4.42Å; F121-L125 HydrophobicContact CZ-CB 4.19Å; F121-L125 HydrophobicContact CZ-CD1 4.39Å; F121-L125 HydrophobicContact CZ-CD2 3.72Å; F121-L125 HydrophobicContact CZ-CG 4.3Å; F121-L125 WeakPolarHBondContact O-CB 3.09Å; F121-L125 PolarHBondContact O-N 3.16Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 3.48Å; L125-L128 PolarHBondContact O-N 3.2Å; L125-I129 HydrophobicContact CD1-CD1 4.22Å; L125-I129 HydrophobicContact CD1-CG1 4.36Å; L125-I129 HydrophobicContact CD2-CD1 4.26Å; L125-I129 HydrophobicContact CG-CD1 3.71Å; L125-I129 HydrophobicContact CG-CG1 4.27Å; L125-I129 WeakPolarHBondContact O-CB 3.43Å; L125-I129 WeakPolarHBondContact O-CD1 3.47Å; L125-I129 WeakPolarHBondContact O-CG1 3.15Å; L125-I129 PolarHBondContact O-N 3.36Å
126	R	51.9	Low	48.3	Very low	57 Å²	57	42 Å²	42	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-41.4	175	-78.5	174.4	173.2	-158.1	1.5	112.4	E113 L118 T122 L123 I124 I129 R130	E113-R126 IonicContact OE1-CZ 3.73Å; E113-R126 IonicContact OE1-NH1 3.02Å; E113-R126 PolarHBondContact OE1-NH1 2.74Å; E113-R126 IonicContact OE1-NH2 3.93Å; E113-R126 PolarHBondContact OE1-NH2 3.41Å; E113-R126 IonicContact OE2-CZ 3.02Å; E113-R126 IonicContact OE2-NH1 2.85Å; E113-R126 PolarHBondContact OE2-NH1 2.92Å; E113-R126 IonicContact OE2-NH2 3.41Å; L118-R126 VanDerWaalsContact CD1-NH1 3.28Å; T122-R126 HydrophobicContact CG2-CG 4.32Å; T122-R126 WeakPolarHBondContact O-CB 3.45Å; T122-R126 WeakPolarHBondContact O-CD 3.25Å; T122-R126 WeakPolarHBondContact O-CG 3.46Å; T122-R126 PolarHBondContact O-N 3.1Å; L123-R126 PolarHBondContact O-N 3.28Å; I124-R126 VanDerWaalsContact C-N 3.31Å; I124-R126 PolarHBondContact O-N 3.47Å; R126-I129 PolarHBondContact O-N 3.35Å; R126-R130 WeakPolarHBondContact O-CB 3.22Å; R126-R130 WeakPolarHBondContact O-CG 3.31Å; R126-R130 PolarHBondContact O-N 2.66Å
127	A	50.4	Low	47.8	Very low	5 Å²	5	38 Å²	38	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-46.2	175.2	0	0	0	0	0	111.9	W104 L107 L108 L123 I124 L125 R130 F131	W104-A127 HydrophobicContact CE3-CB 4.03Å; W104-A127 HydrophobicContact CZ3-CB 3.49Å; W104-A127 VanDerWaalsContact CZ3-CB 3.49Å; L107-A127 HydrophobicContact CB-CB 4.46Å; L108-A127 HydrophobicContact CD2-CB 3.82Å; L123-A127 WeakPolarHBondContact O-CB 3.5Å; L123-A127 PolarHBondContact O-N 2.97Å; I124-A127 CarbonylContact O-C 3.58Å; I124-A127 WeakPolarHBondContact O-CB 3.16Å; I124-A127 PolarHBondContact O-N 2.97Å; I124-A127 VanDerWaalsContact O-N 3.14Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 3.48Å; A127-R130 PolarHBondContact O-N 2.96Å; A127-F131 WeakPolarHBondContact O-CA 3.39Å; A127-F131 WeakPolarHBondContact O-CB 3.43Å; A127-F131 PolarHBondContact O-N 3.36Å
128	L	50	Low	47.1	Very low	23 Å²	23	34.7 Å²	34.7	12%	0.12	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-45.2	176.9	-67.8	170.7	0	0	0	111.4	I124 L125 F131 E132 P186 A192 Y195 V196	I124-L128 HydrophobicContact CG2-CD1 3.94Å; I124-L128 HydrophobicContact CG2-CG 4.28Å; I124-L128 WeakPolarHBondContact O-CB 3.42Å; I124-L128 VanDerWaalsContact O-CG 3.22Å; I124-L128 WeakPolarHBondContact O-CG 3.46Å; I124-L128 PolarHBondContact O-N 2.94Å; L125-L128 PolarHBondContact O-N 3.2Å; L128-F131 PolarHBondContact O-N 3.33Å; L128-E132 PolarHBondContact O-N 3.08Å; L128-P186 HydrophobicContact CD2-CB 4.5Å; L128-P186 HydrophobicContact CD2-CG 3.62Å; L128-A192 HydrophobicContact CD2-CB 4.41Å; L128-Y195 HydrophobicContact CD1-CD1 3.64Å; L128-Y195 HydrophobicContact CD1-CE1 3.88Å; L128-V196 HydrophobicContact CD1-CG2 4.23Å
129	I	49.7	Very low	46.6	Very low	22 Å²	22	44.8 Å²	44.8	11%	0.113	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-53.9	175.9	-70.1	169.6	0	0	0	110.2	L125 R126 F131 W228	L125-I129 HydrophobicContact CD1-CD1 4.22Å; L125-I129 HydrophobicContact CD1-CG1 4.36Å; L125-I129 HydrophobicContact CD2-CD1 4.26Å; L125-I129 HydrophobicContact CG-CD1 3.71Å; L125-I129 HydrophobicContact CG-CG1 4.27Å; L125-I129 WeakPolarHBondContact O-CB 3.43Å; L125-I129 WeakPolarHBondContact O-CD1 3.47Å; L125-I129 WeakPolarHBondContact O-CG1 3.15Å; L125-I129 PolarHBondContact O-N 3.36Å; R126-I129 PolarHBondContact O-N 3.35Å; I129-F131 VanDerWaalsContact C-N 3.31Å; I129-F131 PolarHBondContact O-N 2.94Å; I129-W228 HydrophobicContact CB-CH2 4.35Å; I129-W228 HydrophobicContact CD1-CH2 4.27Å; I129-W228 HydrophobicContact CD1-CZ2 4.23Å; I129-W228 HydrophobicContact CG1-CH2 3.54Å; I129-W228 HydrophobicContact CG1-CZ2 4Å; I129-W228 HydrophobicContact CG1-CZ3 4.03Å; I129-W228 HydrophobicContact CG2-CH2 4.31Å
130	R	50	Low	46	Very low	58 Å²	58	52.1 Å²	52.1	22%	0.219	25%	0.246	C	C	.	.	H	α-helix	trans	-76.1	-21.9	-175.5	-66.8	-165	-169.6	167.4	9.3	112.7	N106 L107 F109 R126 A127 E132 D133 V134	N106-R130 PolarHBondContact O-NH1 3.18Å; L107-R130 HydrophobicContact CB-CB 4.45Å; L107-R130 VanDerWaalsContact CD2-C 3.48Å; L107-R130 HydrophobicContact CD2-CB 3.37Å; L107-R130 HydrophobicContact CG-CB 4.5Å; L107-R130 VanDerWaalsContact O-CD 3.3Å; L107-R130 WeakPolarHBondContact O-CD 3.33Å; F109-R130 PolarHBondContact O-NH1 2.93Å; R126-R130 WeakPolarHBondContact O-CB 3.22Å; R126-R130 WeakPolarHBondContact O-CG 3.31Å; R126-R130 PolarHBondContact O-N 2.66Å; A127-R130 PolarHBondContact O-N 2.96Å; R130-E132 VanDerWaalsContact C-N 3.35Å; R130-D133 PolarHBondContact O-N 3.43Å; R130-V134 WeakPolarHBondContact O-CB 3.29Å; R130-V134 VanDerWaalsContact O-CG2 3.31Å; R130-V134 WeakPolarHBondContact O-CG2 3.3Å; R130-V134 PolarHBondContact O-N 3.48Å
131	F	48.5	Very low	45.5	Very low	15 Å²	15	52.3 Å²	52.3	7%	0.066	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-48	174.7	-174.6	-84.5	0	0	0	109.7	W103 A127 L128 I129 D133 V134 Y135 L172 S185 P186	W103-F131 AromaticContact CH2-CD2 3.97Å; W103-F131 HydrophobicContact CH2-CD2 3.97Å; W103-F131 HydrophobicContact CH2-CE2 4.19Å; A127-F131 WeakPolarHBondContact O-CA 3.39Å; A127-F131 WeakPolarHBondContact O-CB 3.43Å; A127-F131 PolarHBondContact O-N 3.36Å; L128-F131 PolarHBondContact O-N 3.33Å; I129-F131 VanDerWaalsContact C-N 3.31Å; I129-F131 PolarHBondContact O-N 2.94Å; F131-D133 PolarHBondContact O-N 3.14Å; F131-V134 PolarHBondContact O-N 2.96Å; F131-Y135 HydrophobicContact CE1-CD2 4.08Å; F131-Y135 HydrophobicContact CE1-CE2 4.48Å; F131-Y135 HydrophobicContact CE1-CG 4.43Å; F131-Y135 HydrophobicContact CZ-CD2 4.23Å; F131-Y135 HydrophobicContact CZ-CE2 4.45Å; F131-Y135 WeakPolarHBondContact O-CB 3.43Å; F131-Y135 PolarHBondContact O-N 2.94Å; F131-L172 HydrophobicContact CD2-CD1 4.36Å; F131-L172 HydrophobicContact CE2-CB 3.91Å; F131-L172 HydrophobicContact CE2-CD1 3.54Å; F131-L172 HydrophobicContact CE2-CG 3.84Å; F131-L172 HydrophobicContact CZ-CD1 4.13Å; F131-L172 HydrophobicContact CZ-CG 4.34Å; F131-S185 WeakPolarHBondContact CE2-OG 3.5Å; F131-P186 VanDerWaalsContact CE1-O 3.26Å; F131-P186 WeakPolarHBondContact CE1-O 3.48Å; F131-P186 WeakPolarHBondContact CZ-O 3.43Å
132	E	46.3	Very low	45.1	Very low	50 Å²	50	53.4 Å²	53.4	23%	0.234	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-42	175.8	-167	-178.7	-170	0	0	111.5	L128 R130 V134 Y135 A136 R189	L128-E132 PolarHBondContact O-N 3.08Å; R130-E132 VanDerWaalsContact C-N 3.35Å; E132-V134 PolarHBondContact O-N 3.22Å; E132-Y135 PolarHBondContact O-N 2.92Å; E132-A136 HydrophobicContact CG-CB 4.46Å; E132-A136 WeakPolarHBondContact O-CB 3.46Å; E132-A136 PolarHBondContact O-N 3.47Å; E132-R189 IonicContact OE1-NH1 3.83Å; E132-R189 PolarHBondContact OE1-NH1 3.44Å
133	D	46.2	Very low	45	Very low	25 Å²	25	53 Å²	53	13%	0.134	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-44.7	177.7	-93.2	-42.3	0	0	0	113.6	R130 F131 N137 S239 S242	R130-D133 PolarHBondContact O-N 3.43Å; F131-D133 PolarHBondContact O-N 3.14Å; D133-N137 WeakPolarHBondContact O-CB 3.45Å; D133-N137 PolarHBondContact O-ND2 2.75Å; D133-S239 VanDerWaalsContact OD1-C 3.28Å; D133-S242 WeakPolarHBondContact OD2-CB 3.42Å; D133-S242 PolarHBondContact OD2-OG 3.34Å
134	V	43.6	Very low	44.9	Very low	42 Å²	42	52.4 Å²	52.4	26%	0.255	25%	0.249	S	C	.	.	H	α-helix	trans	-73.5	-34.4	179.4	176.7	0	0	0	0	110.5	W103 L107 R130 F131 E132 S138	W103-V134 HydrophobicContact CZ2-CB 4.22Å; W103-V134 HydrophobicContact CZ2-CG1 3.73Å; L107-V134 HydrophobicContact CD2-CG2 3.9Å; R130-V134 WeakPolarHBondContact O-CB 3.29Å; R130-V134 VanDerWaalsContact O-CG2 3.31Å; R130-V134 WeakPolarHBondContact O-CG2 3.3Å; R130-V134 PolarHBondContact O-N 3.48Å; F131-V134 PolarHBondContact O-N 2.96Å; E132-V134 PolarHBondContact O-N 3.22Å; V134-S138 WeakPolarHBondContact O-CB 3.42Å; V134-S138 PolarHBondContact O-N 3.41Å; V134-S138 PolarHBondContact O-OG 3.48Å
135	Y	41.8	Very low	45.1	Very low	24 Å²	24	51.8 Å²	51.8	9%	0.094	25%	0.245	C	C	.	.	H	α-helix	trans	-79.5	-53	-176.8	-158.8	-90	0	0	0	112.3	F131 E132 N137 S138 N141 C142 L143 T144	F131-Y135 HydrophobicContact CE1-CD2 4.08Å; F131-Y135 HydrophobicContact CE1-CE2 4.48Å; F131-Y135 HydrophobicContact CE1-CG 4.43Å; F131-Y135 HydrophobicContact CZ-CD2 4.23Å; F131-Y135 HydrophobicContact CZ-CE2 4.45Å; F131-Y135 WeakPolarHBondContact O-CB 3.43Å; F131-Y135 PolarHBondContact O-N 2.94Å; E132-Y135 PolarHBondContact O-N 2.92Å; Y135-N137 PolarHBondContact O-N 3.42Å; Y135-S138 CarbonylContact O-C 3.56Å; Y135-S138 PolarHBondContact O-N 3.43Å; Y135-N141 WeakPolarHBondContact CD2-O 3.39Å; Y135-N141 WeakPolarHBondContact CE2-O 3.05Å; Y135-C142 VanDerWaalsContact CD1-SG 3.53Å; Y135-C142 HydrophobicContact CE1-CB 3.96Å; Y135-C142 WeakPolarHBondContact CE1-SG 3.13Å; Y135-C142 VanDerWaalsContact CE2-CA 3.41Å; Y135-C142 HydrophobicContact CE2-CB 4.44Å; Y135-L143 HydrophobicContact CE2-CB 4.39Å; Y135-L143 VanDerWaalsContact OH-C 3.28Å; Y135-L143 PolarHBondContact OH-N 3.42Å; Y135-L143 VanDerWaalsContact OH-N 3.15Å; Y135-T144 PolarHBondContact OH-N 3.29Å; Y135-T144 PolarHBondContact OH-OG1 3.48Å
136	A	42.1	Very low	45.3	Very low	60 Å²	60	53.2 Å²	53.2	50%	0.496	25%	0.253	S	S	.	.	H	α-helix	trans	-59.1	-35.9	-179	0	0	0	0	0	112.2	E132	E132-A136 HydrophobicContact CG-CB 4.46Å; E132-A136 WeakPolarHBondContact O-CB 3.46Å; E132-A136 PolarHBondContact O-N 3.47Å
137	N	38.6	Very low	45.6	Very low	96 Å²	96	50.5 Å²	50.5	51%	0.513	24%	0.243	S	C	.	.	H	α-helix	trans	-85	-15.3	178.2	-69.7	-51.7	0	0	0	113.8	D133 Y135	D133-N137 WeakPolarHBondContact O-CB 3.45Å; D133-N137 PolarHBondContact O-ND2 2.75Å; Y135-N137 PolarHBondContact O-N 3.42Å
138	S	34.4	Very low	45.8	Very low	17 Å²	17	52.2 Å²	52.2	12%	0.119	25%	0.251	C	S	.	.			trans	-110	97.9	179.8	77.6	0	0	0	0	111.1	V134 Y135 R140 N141 C142	V134-S138 WeakPolarHBondContact O-CB 3.42Å; V134-S138 PolarHBondContact O-N 3.41Å; V134-S138 PolarHBondContact O-OG 3.48Å; Y135-S138 CarbonylContact O-C 3.56Å; Y135-S138 PolarHBondContact O-N 3.43Å; S138-R140 PolarHBondContact O-N 3.14Å; S138-N141 PolarHBondContact O-N 3.39Å; S138-N141 VanDerWaalsContact O-N 3.08Å; S138-N141 WeakPolarHBondContact OG-CA 3.2Å; S138-N141 WeakPolarHBondContact OG-CB 3.37Å; S138-N141 VanDerWaalsContact OG-CG 3.26Å; S138-N141 PolarHBondContact OG-N 3.2Å; S138-N141 PolarHBondContact OG-ND2 2.8Å; S138-C142 PolarHBondContact O-N 2.81Å; S138-C142 VanDerWaalsContact O-N 3.13Å; S138-C142 PolarHBondContact O-SG 3.11Å
139	R	37.9	Very low	45.9	Very low	243 Å²	243	52 Å²	52	92%	0.917	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-16.2	149.5	-65.7	-171.7	-175.9	-172.7	1.8	111.6	K88	K88-R139 PolarHBondContact NZ-O 3.39Å
140	R	35	Very low	46	Very low	199 Å²	199	51.7 Å²	51.7	75%	0.751	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-36.9	177	-69.3	-172	-173.4	175.7	3.3	115.6	K88 S138	K88-R140 WeakPolarHBondContact CD-O 3.21Å; K88-R140 PolarHBondContact NZ-O 3.43Å; S138-R140 PolarHBondContact O-N 3.14Å
141	N	38.5	Very low	45.9	Very low	40 Å²	40	53 Å²	53	21%	0.214	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	5.4	-172.5	-42.9	-35.6	0	0	0	113	M92 Y135 S138 L143	M92-N141 HydrophobicContact CE-CB 3.86Å; M92-N141 VanDerWaalsContact CE-OD1 3.28Å; M92-N141 WeakPolarHBondContact CE-OD1 3.15Å; Y135-N141 WeakPolarHBondContact CD2-O 3.39Å; Y135-N141 WeakPolarHBondContact CE2-O 3.05Å; S138-N141 PolarHBondContact O-N 3.39Å; S138-N141 VanDerWaalsContact O-N 3.08Å; S138-N141 WeakPolarHBondContact OG-CA 3.2Å; S138-N141 WeakPolarHBondContact OG-CB 3.37Å; S138-N141 VanDerWaalsContact OG-CG 3.26Å; S138-N141 PolarHBondContact OG-N 3.2Å; S138-N141 PolarHBondContact OG-ND2 2.8Å; N141-L143 PolarHBondContact O-N 3.04Å
142	C	40.1	Very low	45.9	Very low	40 Å²	40	56.2 Å²	56.2	27%	0.27	28%	0.279	S	S	.	.			trans	-50.4	106.7	157.5	-79	0	0	0	0	109.3	Y135 S138 T144	Y135-C142 VanDerWaalsContact CD1-SG 3.53Å; Y135-C142 HydrophobicContact CE1-CB 3.96Å; Y135-C142 WeakPolarHBondContact CE1-SG 3.13Å; Y135-C142 VanDerWaalsContact CE2-CA 3.41Å; Y135-C142 HydrophobicContact CE2-CB 4.44Å; S138-C142 PolarHBondContact O-N 2.81Å; S138-C142 VanDerWaalsContact O-N 3.13Å; S138-C142 PolarHBondContact O-SG 3.11Å; C142-T144 WeakPolarHBondContact CB-OG1 3.2Å; C142-T144 PolarHBondContact O-N 3.2Å
143	L	48.3	Very low	46	Very low	11 Å²	11	54.4 Å²	54.4	6%	0.058	27%	0.271	C	S	.	.			trans	-69.7	41.8	157.5	-70.4	-170.8	0	0	0	110	M89 Y135 N141 F168 I170 G171 L172	M89-L143 HydrophobicContact CB-CD2 4.28Å; M89-L143 HydrophobicContact CG-CD2 4.06Å; Y135-L143 HydrophobicContact CE2-CB 4.39Å; Y135-L143 VanDerWaalsContact OH-C 3.28Å; Y135-L143 PolarHBondContact OH-N 3.42Å; Y135-L143 VanDerWaalsContact OH-N 3.15Å; N141-L143 PolarHBondContact O-N 3.04Å; L143-F168 VanDerWaalsContact O-O 3.06Å; L143-I170 HydrophobicContact CB-CB 4.22Å; L143-I170 HydrophobicContact CD1-CB 4.22Å; L143-I170 HydrophobicContact CD1-CG2 4.11Å; L143-G171 WeakPolarHBondContact CD1-O 3.26Å; L143-L172 HydrophobicContact CD1-CD2 3.34Å; L143-L172 HydrophobicContact CD1-CG 3.91Å; L143-L172 HydrophobicContact CG-CD2 3.99Å
144	T	49.8	Very low	46.3	Very low	21 Å²	21	57.3 Å²	57.3	13%	0.129	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106.9	-178.9	-48.2	0	0	0	0	107.5	Y135 C142 I146 K167 F168	Y135-T144 PolarHBondContact OH-N 3.29Å; Y135-T144 PolarHBondContact OH-OG1 3.48Å; C142-T144 WeakPolarHBondContact CB-OG1 3.2Å; C142-T144 PolarHBondContact O-N 3.2Å; T144-I146 HydrophobicContact CG2-CG1 4.26Å; T144-K167 HydrophobicContact CG2-CB 4.45Å; T144-K167 HydrophobicContact CG2-CD 3.86Å; T144-K167 VanDerWaalsContact CG2-CE 3.49Å; T144-K167 HydrophobicContact CG2-CG 3.14Å; T144-F168 VanDerWaalsContact CA-O 3.27Å; T144-F168 WeakPolarHBondContact CA-O 3.34Å
145	E	53.3	Low	46.7	Very low	13 Å²	13	57.7 Å²	57.7	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.1	170.2	-70	-68.4	169.3	0	0	108	V68 M89 L166 K167 F168	V68-E145 HydrophobicContact CG1-CB 4.09Å; V68-E145 HydrophobicContact CG1-CG 4.1Å; M89-E145 HydrophobicContact CE-CG 3.73Å; E145-L166 VanDerWaalsContact O-O 3.08Å; E145-K167 WeakPolarHBondContact O-CA 3.45Å; E145-F168 PolarHBondContact O-N 3.33Å; E145-F168 VanDerWaalsContact O-N 3.15Å
146	I	55.2	Low	47.1	Very low	56 Å²	56	59.6 Å²	59.6	29%	0.287	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	111.6	176.1	-60.7	178.7	0	0	0	107.6	T144 R165 L166 K167	T144-I146 HydrophobicContact CG2-CG1 4.26Å; I146-R165 HydrophobicContact CG2-CB 3.94Å; I146-R165 HydrophobicContact CG2-CG 3.71Å; I146-L166 WeakPolarHBondContact CA-O 2.73Å; I146-K167 HydrophobicContact CG1-CG 4.43Å
147	I	57.4	Low	47.5	Very low	1 Å²	1	65.9 Å²	65.9	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	113.3	176.8	-48.5	-178.4	0	0	0	108.2	V68 I71 I82 I149 R165 L166 F168	V68-I147 HydrophobicContact CG1-CD1 4.25Å; I71-I147 HydrophobicContact CB-CD1 4.04Å; I71-I147 HydrophobicContact CG2-CD1 3.65Å; I71-I147 HydrophobicContact CG2-CG2 4.43Å; I82-I147 HydrophobicContact CD1-CG2 4.03Å; I82-I147 HydrophobicContact CG2-CG2 4.04Å; I147-I149 HydrophobicContact CB-CD1 4.36Å; I147-I149 HydrophobicContact CB-CG1 4.2Å; I147-I149 HydrophobicContact CG2-CD1 3.89Å; I147-I149 HydrophobicContact CG2-CG1 3.55Å; I147-R165 VanDerWaalsContact O-CA 3.29Å; I147-R165 WeakPolarHBondContact O-CA 3.28Å; I147-L166 HydrophobicContact CB-CB 4.39Å; I147-L166 PolarHBondContact N-O 2.79Å; I147-L166 PolarHBondContact O-N 2.89Å; I147-L166 VanDerWaalsContact O-N 3.13Å; I147-F168 HydrophobicContact CD1-CD2 4.37Å; I147-F168 HydrophobicContact CD1-CE2 3.76Å; I147-F168 HydrophobicContact CG1-CE2 4.43Å
148	N	55.5	Low	47.9	Very low	40 Å²	40	68.5 Å²	68.5	21%	0.214	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122	170.8	-65.2	-52.1	0	0	0	109.3	S163 R165	N148-S163 PolarHBondContact OD1-OG 2.74Å; N148-R165 VanDerWaalsContact OD1-CG 3.27Å; N148-R165 WeakPolarHBondContact OD1-CG 3.02Å; N148-R165 PolarHBondContact OD1-NE 3.11Å; N148-R165 VanDerWaalsContact OD1-NE 3.1Å
149	I	52.5	Low	48.4	Very low	19 Å²	19	73.8 Å²	73.8	10%	0.097	35%	0.347	C	S	.	.			trans	-130.1	67.7	-175.4	-37.5	174	0	0	0	111.2	I71 I147 R151 T164 L166 W361	I71-I149 HydrophobicContact CG2-CD1 4.19Å; I147-I149 HydrophobicContact CB-CD1 4.36Å; I147-I149 HydrophobicContact CB-CG1 4.2Å; I147-I149 HydrophobicContact CG2-CD1 3.89Å; I147-I149 HydrophobicContact CG2-CG1 3.55Å; I149-R151 HydrophobicContact CG2-CG 3.75Å; I149-R151 PolarHBondContact O-N 3.19Å; I149-T164 PolarHBondContact N-O 3.46Å; I149-L166 HydrophobicContact CD1-CD1 3.79Å; I149-L166 HydrophobicContact CD1-CG 4Å; I149-W361 HydrophobicContact CB-CH2 3.29Å; I149-W361 HydrophobicContact CB-CZ2 3.85Å; I149-W361 HydrophobicContact CB-CZ3 3.84Å; I149-W361 HydrophobicContact CD1-CE3 4.4Å; I149-W361 HydrophobicContact CD1-CH2 4.26Å; I149-W361 HydrophobicContact CD1-CZ3 3.95Å; I149-W361 HydrophobicContact CG1-CH2 4.34Å; I149-W361 HydrophobicContact CG1-CZ3 4.5Å; I149-W361 HydrophobicContact CG2-CH2 3.24Å; I149-W361 HydrophobicContact CG2-CZ2 4.26Å; I149-W361 HydrophobicContact CG2-CZ3 3.56Å; I149-W361 WeakPolarHBondContact O-CH2 3.26Å; I149-W361 WeakPolarHBondContact O-CZ2 3.38Å
150	C	50.3	Low	48.7	Very low	15 Å²	15	67.8 Å²	67.8	10%	0.101	33%	0.333	C	S	.	.			trans	-75.7	99.5	154.1	-172.4	0	0	0	0	107.6	S152 C153 Y161 C366	C150-S152 PolarHBondContact O-N 3.33Å; C150-C153 WeakPolarHBondContact CB-SG 3.29Å; C150-C153 WeakPolarHBondContact SG-CB 3.15Å; C150-C153 PolarHBondContact SG-N 3.38Å; C150-C153 VanDerWaalsContact SG-N 3.43Å; C150-C153 CovalentContact SG-SG 2.06Å; C150-C153 PolarHBondContact SG-SG 3.01Å; C150-Y161 HydrophobicContact CB-CE2 3.97Å; C150-Y161 WeakPolarHBondContact CB-OH 3.11Å; C150-C366 HydrophobicContact CB-CB 4.31Å; C150-C366 VanDerWaalsContact SG-SG 3.63Å
151	R	49.3	Very low	49.1	Very low	87 Å²	87	60 Å²	60	33%	0.328	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.5	177.2	-75.4	-174.1	174.5	177.2	-1.8	113.5	V76 I149 T358 W361	V76-R151 HydrophobicContact CB-CB 4.3Å; V76-R151 HydrophobicContact CB-CG 4.42Å; I149-R151 HydrophobicContact CG2-CG 3.75Å; I149-R151 PolarHBondContact O-N 3.19Å; R151-T358 VanDerWaalsContact NH2-CG2 3.3Å; R151-W361 HydrophobicContact CG-CH2 4.05Å; R151-W361 HydrophobicContact CG-CZ3 4.34Å
152	S	48.5	Very low	49.7	Very low	82 Å²	82	63.6 Å²	63.6	57%	0.573	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-2.7	-164.8	-40	0	0	0	0	114.2	C150	C150-S152 PolarHBondContact O-N 3.33Å
153	C	48.7	Very low	50.3	Low	12 Å²	12	61.8 Å²	61.8	8%	0.081	31%	0.305	C	S	.	.			trans	-152.9	148.8	-165.2	74.9	0	0	0	0	116.5	C150 H155 C366 C369	C150-C153 WeakPolarHBondContact CB-SG 3.29Å; C150-C153 WeakPolarHBondContact SG-CB 3.15Å; C150-C153 PolarHBondContact SG-N 3.38Å; C150-C153 VanDerWaalsContact SG-N 3.43Å; C150-C153 CovalentContact SG-SG 2.06Å; C150-C153 PolarHBondContact SG-SG 3.01Å; C153-H155 VanDerWaalsContact C-N 3.33Å; C153-H155 HydrophobicContact CB-CB 4.35Å; C153-H155 VanDerWaalsContact CB-ND1 3.3Å; C153-H155 WeakPolarHBondContact CB-ND1 3.05Å; C153-H155 PolarHBondContact SG-ND1 3.28Å; C153-C366 PolarHBondContact SG-SG 3.47Å; C153-C369 WeakPolarHBondContact CB-SG 3.3Å
154	D	50.7	Low	50.6	Low	86 Å²	86	62.1 Å²	62.1	46%	0.46	31%	0.308	S	S	.	.			trans	-94.7	22	170.8	-156.6	27.3	0	0	0	112.3	N80 K156	N80-D154 PolarHBondContact ND2-OD1 2.9Å; D154-K156 PolarHBondContact O-N 2.94Å
155	H	53.6	Low	51.2	Low	50 Å²	50	64.8 Å²	64.8	23%	0.231	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-66.2	2.8	-176.2	-60.3	146.3	0	0	0	114.8	C153 K157 R158 Y161 I368	C153-H155 VanDerWaalsContact C-N 3.33Å; C153-H155 HydrophobicContact CB-CB 4.35Å; C153-H155 VanDerWaalsContact CB-ND1 3.3Å; C153-H155 WeakPolarHBondContact CB-ND1 3.05Å; C153-H155 PolarHBondContact SG-ND1 3.28Å; H155-K157 PolarHBondContact O-N 3.17Å; H155-R158 PolarHBondContact O-N 3.29Å; H155-Y161 HydrophobicContact CB-CD2 3.83Å; H155-Y161 HydrophobicContact CB-CE2 4.19Å; H155-I368 HydrophobicContact CB-CD1 3.73Å; H155-I368 WeakPolarHBondContact CE1-CG2 3.3Å; H155-I368 WeakPolarHBondContact ND1-CG2 3.38Å
156	K	50.2	Low	51.8	Low	64 Å²	64	64.3 Å²	64.3	28%	0.278	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-51.9	-26.1	-178.2	-66.3	178.3	179.4	172.6	0	114.1	P81 D154 R158 Y161	P81-K156 PolarHBondContact O-NZ 2.85Å; D154-K156 PolarHBondContact O-N 2.94Å; K156-R158 VanDerWaalsContact C-N 3.34Å; K156-Y161 HydrophobicContact CG-CE1 4.17Å; K156-Y161 HydrophobicContact CG-CE2 4.38Å
157	K	50.1	Low	52.5	Low	192 Å²	192	63.5 Å²	63.5	84%	0.835	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-82.2	-4.2	-178.6	-66.5	-173.6	-179	178.3	0	114.3	H155	H155-K157 PolarHBondContact O-N 3.17Å
158	R	47.3	Very low	53.1	Low	151 Å²	151	63.4 Å²	63.4	57%	0.57	31%	0.308	S	S	*	.	S	Bend	trans	-93.3	140.1	-179.8	-68	-169.5	177.2	-179.8	0.8	111.3	H155 K156 D160 Y161 I368	H155-R158 PolarHBondContact O-N 3.29Å; K156-R158 VanDerWaalsContact C-N 3.34Å; R158-D160 PolarHBondContact O-N 3.24Å; R158-Y161 VanDerWaalsContact O-CB 3.27Å; R158-Y161 WeakPolarHBondContact O-CB 3.36Å; R158-Y161 PolarHBondContact O-N 3.15Å; R158-Y161 VanDerWaalsContact O-N 3.15Å; R158-I368 HydrophobicContact CB-CD1 4.4Å
159	P	44.5	Very low	53.7	Low	127 Å²	127	63.2 Å²	63.2	83%	0.825	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.7	-179.3	22	-31.3	0	0	0	113.1	Y161	P159-Y161 VanDerWaalsContact C-N 3.3Å; P159-Y161 PolarHBondContact O-N 2.85Å
160	D	43	Very low	54.4	Low	118 Å²	118	62.3 Å²	62.3	63%	0.631	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	14.8	-177.8	-44.4	-47.3	0	0	0	113.1	R158 K162	R158-D160 PolarHBondContact O-N 3.24Å; D160-K162 PolarHBondContact O-N 3.37Å
161	Y	44.2	Very low	55	Low	34 Å²	34	61.8 Å²	61.8	13%	0.133	30%	0.296	C	S	.	.			trans	-67.2	94.6	178.6	-179.2	-103.4	0	0	0	111	C150 H155 K156 R158 P159 S163 C366	C150-Y161 HydrophobicContact CB-CE2 3.97Å; C150-Y161 WeakPolarHBondContact CB-OH 3.11Å; H155-Y161 HydrophobicContact CB-CD2 3.83Å; H155-Y161 HydrophobicContact CB-CE2 4.19Å; K156-Y161 HydrophobicContact CG-CE1 4.17Å; K156-Y161 HydrophobicContact CG-CE2 4.38Å; R158-Y161 VanDerWaalsContact O-CB 3.27Å; R158-Y161 WeakPolarHBondContact O-CB 3.36Å; R158-Y161 PolarHBondContact O-N 3.15Å; R158-Y161 VanDerWaalsContact O-N 3.15Å; P159-Y161 VanDerWaalsContact C-N 3.3Å; P159-Y161 PolarHBondContact O-N 2.85Å; Y161-S163 VanDerWaalsContact CE1-CB 3.44Å; Y161-S163 VanDerWaalsContact CE1-OG 3.28Å; Y161-S163 WeakPolarHBondContact CE1-OG 3.42Å; Y161-S163 VanDerWaalsContact CZ-CB 3.42Å; Y161-S163 WeakPolarHBondContact OH-CB 3.18Å; Y161-C366 HydrophobicContact CE2-CB 4.38Å
162	K	50.4	Low	55.5	Low	117 Å²	117	58.7 Å²	58.7	51%	0.509	29%	0.286	S	S	.	.			trans	-99.2	95.1	172.5	-79.8	-179	178.5	-172.3	0	109	E41 D160 T367	E41-K162 VanDerWaalsContact CD-CB 3.44Å; E41-K162 WeakPolarHBondContact OE1-CB 3.2Å; E41-K162 VanDerWaalsContact OE1-CD 3.23Å; E41-K162 WeakPolarHBondContact OE1-CD 3.46Å; E41-K162 WeakPolarHBondContact OE1-CG 3.38Å; E41-K162 VanDerWaalsContact OE2-C 3.23Å; E41-K162 WeakPolarHBondContact OE2-CA 3.36Å; E41-K162 VanDerWaalsContact OE2-CB 3.26Å; E41-K162 WeakPolarHBondContact OE2-CB 3.17Å; D160-K162 PolarHBondContact O-N 3.37Å; K162-T367 HydrophobicContact CB-CG2 3.9Å; K162-T367 HydrophobicContact CD-CG2 4.4Å
163	S	52.8	Low	56.1	Low	1 Å²	1	56.4 Å²	56.4	1%	0.007	27%	0.27	C	S	.	.			trans	-104.6	137.1	176.6	65.2	0	0	0	0	110.4	E41 N148 Y161 R165	E41-S163 PolarHBondContact OE2-N 3.17Å; N148-S163 PolarHBondContact OD1-OG 2.74Å; Y161-S163 VanDerWaalsContact CE1-CB 3.44Å; Y161-S163 VanDerWaalsContact CE1-OG 3.28Å; Y161-S163 WeakPolarHBondContact CE1-OG 3.42Å; Y161-S163 VanDerWaalsContact CZ-CB 3.42Å; Y161-S163 WeakPolarHBondContact OH-CB 3.18Å; S163-R165 PolarHBondContact O-N 3.1Å
164	T	56	Low	56.5	Low	18 Å²	18	56.4 Å²	56.4	11%	0.11	27%	0.271	C	S	.	.			trans	-58.4	139.7	166.2	-38.8	0	0	0	0	110.5	E41 I43 I149 W361	E41-T164 CarbonylContact O-C 3.58Å; E41-T164 WeakPolarHBondContact O-CA 3.48Å; E41-T164 WeakPolarHBondContact O-CG2 3.48Å; I43-T164 HydrophobicContact CD1-CG2 3.89Å; I43-T164 HydrophobicContact CG1-CG2 4.08Å; I149-T164 PolarHBondContact N-O 3.46Å; T164-W361 VanDerWaalsContact CB-NE1 3.27Å; T164-W361 VanDerWaalsContact CG2-NE1 3.32Å
165	R	62.1	Low	56.9	Low	77 Å²	77	55.1 Å²	55.1	29%	0.291	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.9	-174.7	-74.2	167	-177.2	172.5	12	109.2	E41 E42 I43 I146 I147 N148 S163	E41-R165 PolarHBondContact O-N 3.02Å; E42-R165 CarbonylContact C-O 3.57Å; E42-R165 WeakPolarHBondContact CA-O 3.42Å; E42-R165 HydrophobicContact CG-CB 4.13Å; E42-R165 IonicContact OE1-NH1 2.72Å; I43-R165 PolarHBondContact N-O 3.08Å; I146-R165 HydrophobicContact CG2-CB 3.94Å; I146-R165 HydrophobicContact CG2-CG 3.71Å; I147-R165 VanDerWaalsContact O-CA 3.29Å; I147-R165 WeakPolarHBondContact O-CA 3.28Å; N148-R165 VanDerWaalsContact OD1-CG 3.27Å; N148-R165 WeakPolarHBondContact OD1-CG 3.02Å; N148-R165 PolarHBondContact OD1-NE 3.11Å; N148-R165 VanDerWaalsContact OD1-NE 3.1Å; S163-R165 PolarHBondContact O-N 3.1Å
166	L	65.6	Low	57	Low	3 Å²	3	54.2 Å²	54.2	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.9	161.5	-65.3	-179.3	0	0	0	108.4	I43 V45 I71 E145 I146 I147 I149 F168 V357	I43-L166 HydrophobicContact CB-CD2 3.96Å; I43-L166 HydrophobicContact CG2-CD2 4.09Å; V45-L166 HydrophobicContact CG2-CD2 4.31Å; I71-L166 HydrophobicContact CG2-CD1 4.22Å; E145-L166 VanDerWaalsContact O-O 3.08Å; I146-L166 WeakPolarHBondContact CA-O 2.73Å; I147-L166 HydrophobicContact CB-CB 4.39Å; I147-L166 PolarHBondContact N-O 2.79Å; I147-L166 PolarHBondContact O-N 2.89Å; I147-L166 VanDerWaalsContact O-N 3.13Å; I149-L166 HydrophobicContact CD1-CD1 3.79Å; I149-L166 HydrophobicContact CD1-CG 4Å; L166-F168 HydrophobicContact CB-CD2 4.38Å; L166-F168 HydrophobicContact CB-CE2 3.8Å; L166-F168 HydrophobicContact CD1-CE2 4.19Å; L166-F168 HydrophobicContact CD1-CZ 4.37Å; L166-V357 HydrophobicContact CD1-CG1 3.98Å
167	K	69	Low	57	Low	39 Å²	39	57 Å²	57	17%	0.17	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	98	-178.1	-168.8	172.1	-179.5	-175.5	0	109.6	E42 I43 P44 V45 T144 E145 I146 Y169	E42-K167 WeakPolarHBondContact OE2-CD 3.47Å; E42-K167 IonicContact OE2-NZ 3.03Å; E42-K167 PolarHBondContact OE2-NZ 2.76Å; I43-K167 PolarHBondContact O-N 3.34Å; P44-K167 CarbonylContact C-O 3.47Å; P44-K167 WeakPolarHBondContact CA-O 3.35Å; V45-K167 PolarHBondContact N-O 3.49Å; T144-K167 HydrophobicContact CG2-CB 4.45Å; T144-K167 HydrophobicContact CG2-CD 3.86Å; T144-K167 VanDerWaalsContact CG2-CE 3.49Å; T144-K167 HydrophobicContact CG2-CG 3.14Å; E145-K167 WeakPolarHBondContact O-CA 3.45Å; I146-K167 HydrophobicContact CG1-CG 4.43Å; K167-Y169 HydrophobicContact CB-CE2 4.16Å; K167-Y169 HydrophobicContact CD-CE2 3.97Å; K167-Y169 VanDerWaalsContact CD-OH 3.26Å; K167-Y169 WeakPolarHBondContact CD-OH 3.48Å; K167-Y169 WeakPolarHBondContact CE-OH 3.47Å; K167-Y169 HydrophobicContact CG-CE2 3.75Å; K167-Y169 PolarHBondContact NZ-OH 3.22Å; K167-Y169 VanDerWaalsContact O-CD2 3.26Å; K167-Y169 WeakPolarHBondContact O-CD2 3.26Å; K167-Y169 WeakPolarHBondContact O-CE2 3.45Å
168	F	70.3	Confident	57	Low	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127	-177.6	-71.8	-98.6	0	0	0	110.5	V45 V47 L67 V68 I71 L143 T144 E145 I147 L166 I170 V357	V45-F168 HydrophobicContact CB-CD1 3.78Å; V45-F168 HydrophobicContact CB-CE1 3.89Å; V45-F168 HydrophobicContact CB-CG 4.18Å; V45-F168 HydrophobicContact CB-CZ 4.36Å; V45-F168 HydrophobicContact CG1-CD1 3.72Å; V45-F168 HydrophobicContact CG1-CE1 3.6Å; V45-F168 HydrophobicContact CG1-CZ 4.37Å; V45-F168 HydrophobicContact CG2-CD1 4.49Å; V45-F168 HydrophobicContact CG2-CE1 4.23Å; V45-F168 HydrophobicContact CG2-CZ 4.22Å; V45-F168 CarbonylContact O-C 3.49Å; V45-F168 WeakPolarHBondContact O-CA 3.2Å; V47-F168 HydrophobicContact CG2-CD1 3.82Å; L67-F168 HydrophobicContact CD2-CE1 4.08Å; V68-F168 HydrophobicContact CG2-CD2 4.41Å; V68-F168 HydrophobicContact CG2-CG 4.38Å; I71-F168 HydrophobicContact CD1-CE1 4.46Å; I71-F168 HydrophobicContact CD1-CE2 4.32Å; I71-F168 HydrophobicContact CD1-CZ 3.6Å; L143-F168 VanDerWaalsContact O-O 3.06Å; T144-F168 VanDerWaalsContact CA-O 3.27Å; T144-F168 WeakPolarHBondContact CA-O 3.34Å; E145-F168 PolarHBondContact O-N 3.33Å; E145-F168 VanDerWaalsContact O-N 3.15Å; I147-F168 HydrophobicContact CD1-CD2 4.37Å; I147-F168 HydrophobicContact CD1-CE2 3.76Å; I147-F168 HydrophobicContact CG1-CE2 4.43Å; L166-F168 HydrophobicContact CB-CD2 4.38Å; L166-F168 HydrophobicContact CB-CE2 3.8Å; L166-F168 HydrophobicContact CD1-CE2 4.19Å; L166-F168 HydrophobicContact CD1-CZ 4.37Å; F168-I170 HydrophobicContact CB-CD1 4.08Å; F168-I170 HydrophobicContact CB-CG1 4.42Å; F168-V357 HydrophobicContact CZ-CG1 4.45Å
169	Y	69.2	Low	57.4	Low	35 Å²	35	48.4 Å²	48.4	14%	0.137	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	109.1	173	-67.2	-92.4	0	0	0	108.1	P44 V45 V47 K167	P44-Y169 HydrophobicContact CB-CD2 3.96Å; P44-Y169 HydrophobicContact CB-CE2 3.48Å; P44-Y169 VanDerWaalsContact CB-CE2 3.48Å; V45-Y169 PolarHBondContact O-N 3.07Å; V47-Y169 PolarHBondContact N-O 3.21Å; K167-Y169 HydrophobicContact CB-CE2 4.16Å; K167-Y169 HydrophobicContact CD-CE2 3.97Å; K167-Y169 VanDerWaalsContact CD-OH 3.26Å; K167-Y169 WeakPolarHBondContact CD-OH 3.48Å; K167-Y169 WeakPolarHBondContact CE-OH 3.47Å; K167-Y169 HydrophobicContact CG-CE2 3.75Å; K167-Y169 PolarHBondContact NZ-OH 3.22Å; K167-Y169 VanDerWaalsContact O-CD2 3.26Å; K167-Y169 WeakPolarHBondContact O-CD2 3.26Å; K167-Y169 WeakPolarHBondContact O-CE2 3.45Å
170	I	66.7	Low	58.2	Low	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.1	-174.5	-60.9	146.2	0	0	0	108.6	V47 I64 M89 L143 F168 W184 G187	V47-I170 HydrophobicContact CB-CG1 3.79Å; V47-I170 HydrophobicContact CG1-CG1 4.43Å; V47-I170 HydrophobicContact CG2-CG1 3.76Å; I64-I170 HydrophobicContact CD1-CG1 4.45Å; I64-I170 HydrophobicContact CD1-CG2 3.7Å; I64-I170 HydrophobicContact CG2-CD1 3.4Å; I64-I170 HydrophobicContact CG2-CG1 3.93Å; M89-I170 HydrophobicContact CE-CD1 3.11Å; M89-I170 HydrophobicContact SD-CD1 3.73Å; L143-I170 HydrophobicContact CB-CB 4.22Å; L143-I170 HydrophobicContact CD1-CB 4.22Å; L143-I170 HydrophobicContact CD1-CG2 4.11Å; F168-I170 HydrophobicContact CB-CD1 4.08Å; F168-I170 HydrophobicContact CB-CG1 4.42Å; I170-W184 HydrophobicContact CG2-CH2 4.49Å; I170-W184 HydrophobicContact CG2-CZ3 4.13Å; I170-G187 WeakPolarHBondContact O-CA 2.92Å
171	G	62.1	Low	59.1	Low	3 Å²	3	42.8 Å²	42.8	3%	0.031	22%	0.22	C	C	.	.			trans	-64.8	170.2	174.7	0	0	0	0	0	113.8	L143 W184 S185	L143-G171 WeakPolarHBondContact CD1-O 3.26Å; G171-W184 WeakPolarHBondContact O-CZ3 3.12Å; G171-S185 WeakPolarHBondContact CA-O 3.45Å
172	L	61.3	Low	60.2	Low	22 Å²	22	44 Å²	44	12%	0.115	23%	0.226	C	C	.	.			trans	-113.6	145.3	171	-70.2	165.4	0	0	0	110.8	W103 W104 F131 L143 W184 S185	W103-L172 HydrophobicContact CE3-CD1 4.35Å; W103-L172 HydrophobicContact CH2-CB 4.48Å; W103-L172 HydrophobicContact CH2-CD1 3.07Å; W103-L172 HydrophobicContact CH2-CG 4.31Å; W103-L172 HydrophobicContact CZ2-CD1 3.98Å; W103-L172 HydrophobicContact CZ3-CB 3.98Å; W103-L172 HydrophobicContact CZ3-CD1 3.3Å; W103-L172 HydrophobicContact CZ3-CG 4.17Å; W104-L172 HydrophobicContact CZ2-CB 4.24Å; F131-L172 HydrophobicContact CD2-CD1 4.36Å; F131-L172 HydrophobicContact CE2-CB 3.91Å; F131-L172 HydrophobicContact CE2-CD1 3.54Å; F131-L172 HydrophobicContact CE2-CG 3.84Å; F131-L172 HydrophobicContact CZ-CD1 4.13Å; F131-L172 HydrophobicContact CZ-CG 4.34Å; L143-L172 HydrophobicContact CD1-CD2 3.34Å; L143-L172 HydrophobicContact CD1-CG 3.91Å; L143-L172 HydrophobicContact CG-CD2 3.99Å; L172-W184 CarbonylContact O-C 3.52Å; L172-W184 WeakPolarHBondContact O-CA 3.42Å; L172-S185 PolarHBondContact N-OG 2.94Å; L172-S185 VanDerWaalsContact N-OG 3.11Å; L172-S185 PolarHBondContact O-N 2.92Å; L172-S185 PolarHBondContact O-OG 3.12Å
173	S	60.4	Low	61	Low	35 Å²	35	39.4 Å²	39.4	25%	0.245	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.7	175.4	59	0	0	0	0	111.2	W104 C183	W104-S173 PolarHBondContact NE1-O 3.4Å; S173-C183 CarbonylContact C-O 3.53Å; S173-C183 WeakPolarHBondContact CA-O 3.39Å
174	S	58.2	Low	61.8	Low	12 Å²	12	39.5 Å²	39.5	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.8	167.1	-165.3	0	0	0	0	111.4	W104 F182 C183	W104-S174 VanDerWaalsContact CB-OG 3.29Å; W104-S174 WeakPolarHBondContact CB-OG 3.41Å; W104-S174 VanDerWaalsContact CD2-CB 3.47Å; W104-S174 VanDerWaalsContact CE2-CB 3.4Å; W104-S174 VanDerWaalsContact NE1-CB 3.29Å; S174-F182 VanDerWaalsContact C-CD1 3.46Å; S174-F182 CarbonylContact O-C 3.43Å; S174-F182 WeakPolarHBondContact O-CA 3.35Å; S174-F182 WeakPolarHBondContact O-CB 3.19Å; S174-C183 PolarHBondContact N-O 3.48Å; S174-C183 PolarHBondContact O-N 3.41Å
175	Y	57.6	Low	62.3	Low	59 Å²	59	38.9 Å²	38.9	23%	0.231	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	142.7	164.5	-168.9	-93.9	0	0	0	111.9	D180 M181 F182	Y175-D180 VanDerWaalsContact CE2-CA 3.43Å; Y175-D180 HydrophobicContact CE2-CB 4.33Å; Y175-D180 WeakPolarHBondContact CE2-OD1 3.4Å; Y175-D180 WeakPolarHBondContact OH-CA 3.36Å; Y175-D180 PolarHBondContact OH-N 3.01Å; Y175-D180 PolarHBondContact OH-OD1 3.07Å; Y175-M181 CarbonylContact C-O 3.52Å; Y175-F182 HydrophobicContact CD2-CE1 4.36Å; Y175-F182 HydrophobicContact CD2-CE2 4Å; Y175-F182 AromaticContact CD2-CZ 3.87Å; Y175-F182 HydrophobicContact CD2-CZ 3.87Å
176	V	55.2	Low	62.4	Low	30 Å²	30	35.3 Å²	35.3	18%	0.182	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.9	171.2	-176.8	0	0	0	0	108.5	F53 S178 I179 M181 C183 L320	F53-V176 HydrophobicContact CE1-CG2 4.43Å; V176-S178 PolarHBondContact O-N 2.87Å; V176-I179 PolarHBondContact O-N 3.17Å; V176-M181 HydrophobicContact CB-CE 4.27Å; V176-M181 HydrophobicContact CG1-CE 4.34Å; V176-M181 HydrophobicContact CG2-CE 4.14Å; V176-M181 PolarHBondContact N-O 3.28Å; V176-C183 HydrophobicContact CG2-CB 4.1Å; V176-L320 HydrophobicContact CG1-CD1 4.48Å
177	N	50.6	Low	62.2	Low	122 Å²	122	35.3 Å²	35.3	65%	0.652	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-2.7	-155.7	-98.9	-2.4	0	0	0	120.6
178	S	50.4	Low	61.9	Low	96 Å²	96	34.1 Å²	34.1	67%	0.671	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.9	-10.9	-179	52.4	0	0	0	0	118.1	V176	V176-S178 PolarHBondContact O-N 2.87Å
179	I	55.5	Low	61.6	Low	68 Å²	68	37.7 Å²	37.7	35%	0.349	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	31.7	-169.9	-46.6	104.2	0	0	0	115	V176 M181 L313	V176-I179 PolarHBondContact O-N 3.17Å; I179-M181 PolarHBondContact O-N 3.29Å; I179-L313 HydrophobicContact CB-CD1 3.78Å; I179-L313 HydrophobicContact CD1-CD1 3.39Å; I179-L313 HydrophobicContact CD1-CD2 3.65Å; I179-L313 HydrophobicContact CD1-CG 3.9Å; I179-L313 HydrophobicContact CG1-CD1 3.42Å; I179-L313 VanDerWaalsContact CG1-CD1 3.42Å; I179-L313 HydrophobicContact CG1-CD2 4.44Å; I179-L313 HydrophobicContact CG1-CG 4.43Å; I179-L313 HydrophobicContact CG2-CD1 3.57Å
180	D	62.4	Low	61.4	Low	120 Å²	120	40.4 Å²	40.4	64%	0.642	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	28.1	178.5	-68.4	-43.7	0	0	0	114.6	Y175	Y175-D180 VanDerWaalsContact CE2-CA 3.43Å; Y175-D180 HydrophobicContact CE2-CB 4.33Å; Y175-D180 WeakPolarHBondContact CE2-OD1 3.4Å; Y175-D180 WeakPolarHBondContact OH-CA 3.36Å; Y175-D180 PolarHBondContact OH-N 3.01Å; Y175-D180 PolarHBondContact OH-OD1 3.07Å
181	M	62	Low	61.5	Low	7 Å²	7	40.4 Å²	40.4	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.9	-174	-172.2	176.6	70.9	0	0	108.9	F53 Y175 V176 I179 L313 L320	F53-M181 HydrophobicContact CB-CE 4.26Å; F53-M181 HydrophobicContact CB-CG 4.1Å; F53-M181 HydrophobicContact CB-SD 3.74Å; F53-M181 HydrophobicContact CD1-CE 3.57Å; F53-M181 HydrophobicContact CD1-SD 4.19Å; F53-M181 HydrophobicContact CE1-CE 4.01Å; F53-M181 HydrophobicContact CG-CE 3.92Å; F53-M181 HydrophobicContact CG-SD 4.05Å; Y175-M181 CarbonylContact C-O 3.52Å; V176-M181 HydrophobicContact CB-CE 4.27Å; V176-M181 HydrophobicContact CG1-CE 4.34Å; V176-M181 HydrophobicContact CG2-CE 4.14Å; V176-M181 PolarHBondContact N-O 3.28Å; I179-M181 PolarHBondContact O-N 3.29Å; M181-L313 HydrophobicContact CE-CD2 3.53Å; M181-L313 HydrophobicContact SD-CD2 3.95Å; M181-L320 HydrophobicContact CE-CD1 4.47Å
182	F	67.3	Low	61.8	Low	59 Å²	59	41.2 Å²	41.2	26%	0.259	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.8	177.1	-69	-106.1	0	0	0	111.7	F53 T54 P57 S174 Y175	F53-F182 CarbonylContact C-O 3.57Å; F53-F182 VanDerWaalsContact CA-O 3.23Å; F53-F182 WeakPolarHBondContact CA-O 3.28Å; T54-F182 PolarHBondContact N-O 3.37Å; T54-F182 PolarHBondContact O-N 3.32Å; P57-F182 HydrophobicContact CB-CB 4.18Å; P57-F182 HydrophobicContact CB-CG 4.2Å; P57-F182 HydrophobicContact CG-CB 3.99Å; P57-F182 HydrophobicContact CG-CD1 3.99Å; P57-F182 HydrophobicContact CG-CD2 3.55Å; P57-F182 HydrophobicContact CG-CE1 4.35Å; P57-F182 HydrophobicContact CG-CE2 3.94Å; P57-F182 HydrophobicContact CG-CG 3.58Å; P57-F182 HydrophobicContact CG-CZ 4.32Å; S174-F182 VanDerWaalsContact C-CD1 3.46Å; S174-F182 CarbonylContact O-C 3.43Å; S174-F182 WeakPolarHBondContact O-CA 3.35Å; S174-F182 WeakPolarHBondContact O-CB 3.19Å; Y175-F182 HydrophobicContact CD2-CE1 4.36Å; Y175-F182 HydrophobicContact CD2-CE2 4Å; Y175-F182 AromaticContact CD2-CZ 3.87Å; Y175-F182 HydrophobicContact CD2-CZ 3.87Å
183	C	67.4	Low	62	Low	20 Å²	20	42 Å²	42	14%	0.135	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.6	169.5	70.6	0	0	0	0	111	F52 F53 S173 S174 V176	F52-C183 HydrophobicContact CD1-CB 4.23Å; F52-C183 HydrophobicContact CE1-CB 3.88Å; F52-C183 CarbonylContact O-C 3.57Å; F52-C183 WeakPolarHBondContact O-CA 3.39Å; F53-C183 HydrophobicContact CD1-CB 3.58Å; F53-C183 HydrophobicContact CE1-CB 3.52Å; S173-C183 CarbonylContact C-O 3.53Å; S173-C183 WeakPolarHBondContact CA-O 3.39Å; S174-C183 PolarHBondContact N-O 3.48Å; S174-C183 PolarHBondContact O-N 3.41Å; V176-C183 HydrophobicContact CG2-CB 4.1Å
184	W	69.3	Low	62.5	Low	3 Å²	3	42 Å²	42	1%	0.011	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	142.4	177.1	-83.9	83.4	0	0	0	111.8	P49 F52 T54 L60 V61 I170 G171 L172	P49-W184 HydrophobicContact CG-CB 3.9Å; P49-W184 HydrophobicContact CG-CD2 3.89Å; P49-W184 HydrophobicContact CG-CE3 4.35Å; P49-W184 HydrophobicContact CG-CG 3.61Å; F52-W184 VanDerWaalsContact CD2-O 3.26Å; F52-W184 WeakPolarHBondContact CD2-O 3.12Å; F52-W184 WeakPolarHBondContact CE2-O 3.35Å; F52-W184 WeakPolarHBondContact CZ-O 3.37Å; F52-W184 PolarHBondContact O-N 2.94Å; T54-W184 VanDerWaalsContact CG2-NE1 3.34Å; L60-W184 HydrophobicContact CB-CZ2 4.14Å; L60-W184 HydrophobicContact CD2-CD2 4.15Å; L60-W184 HydrophobicContact CD2-CH2 3.68Å; L60-W184 HydrophobicContact CD2-CZ2 3.14Å; L60-W184 HydrophobicContact CD2-CZ3 4.34Å; L60-W184 HydrophobicContact CG-CH2 3.92Å; L60-W184 HydrophobicContact CG-CZ2 3.65Å; V61-W184 HydrophobicContact CG2-CH2 4.11Å; V61-W184 HydrophobicContact CG2-CZ2 4.33Å; I170-W184 HydrophobicContact CG2-CH2 4.49Å; I170-W184 HydrophobicContact CG2-CZ3 4.13Å; G171-W184 WeakPolarHBondContact O-CZ3 3.12Å; L172-W184 CarbonylContact O-C 3.52Å; L172-W184 WeakPolarHBondContact O-CA 3.42Å
185	S	66.5	Low	63.1	Low	5 Å²	5	41.7 Å²	41.7	4%	0.035	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-96.4	145.3	162.2	33.6	0	0	0	0	109.7	W104 F131 G171 L172 G187	W104-S185 WeakPolarHBondContact CH2-OG 3.46Å; W104-S185 WeakPolarHBondContact CZ2-OG 3.49Å; F131-S185 WeakPolarHBondContact CE2-OG 3.5Å; G171-S185 WeakPolarHBondContact CA-O 3.45Å; L172-S185 PolarHBondContact N-OG 2.94Å; L172-S185 VanDerWaalsContact N-OG 3.11Å; L172-S185 PolarHBondContact O-N 2.92Å; L172-S185 PolarHBondContact O-OG 3.12Å; S185-G187 PolarHBondContact O-N 3.49Å
186	P	63.8	Low	63.6	Low	2 Å²	2	39.3 Å²	39.3	1%	0.013	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-49.5	132.8	162	-25.1	32.4	0	0	0	112.1	L128 F131 I191 A192 W327	L128-P186 HydrophobicContact CD2-CB 4.5Å; L128-P186 HydrophobicContact CD2-CG 3.62Å; F131-P186 VanDerWaalsContact CE1-O 3.26Å; F131-P186 WeakPolarHBondContact CE1-O 3.48Å; F131-P186 WeakPolarHBondContact CZ-O 3.43Å; P186-I191 HydrophobicContact CB-CB 4.13Å; P186-I191 HydrophobicContact CB-CG2 3.81Å; P186-I191 HydrophobicContact CG-CG2 4.24Å; P186-A192 HydrophobicContact CB-CB 3.95Å; P186-A192 HydrophobicContact CG-CB 4.19Å; P186-W327 HydrophobicContact CG-CH2 4.37Å; P186-W327 HydrophobicContact CG-CZ3 3.93Å
187	G	60.4	Low	64.3	Low	4 Å²	4	40.2 Å²	40.2	4%	0.041	22%	0.217	C	C	.	.	S	Bend	trans	-83.2	-16.4	176.2	0	0	0	0	0	114.5	I170 S185	I170-G187 WeakPolarHBondContact O-CA 2.92Å; S185-G187 PolarHBondContact O-N 3.49Å
188	S	63.5	Low	65.1	Low	14 Å²	14	35.2 Å²	35.2	10%	0.098	19%	0.192	C	C	.	.	S	Bend	trans	-131.9	155	-177.2	74.5	0	0	0	0	112.5	N46 D190 I191 A192	N46-S188 WeakPolarHBondContact OD1-CB 3.17Å; N46-S188 PolarHBondContact OD1-OG 2.99Å; S188-D190 VanDerWaalsContact C-N 3.31Å; S188-D190 PolarHBondContact O-N 3.4Å; S188-I191 PolarHBondContact O-N 2.88Å; S188-I191 WeakPolarHBondContact OG-CG1 3.19Å; S188-A192 PolarHBondContact O-N 3Å
189	R	63.6	Low	66.1	Low	74 Å²	74	30.8 Å²	30.8	28%	0.279	16%	0.161	S	C	.	.	H	α-helix	trans	-58.4	-42.1	178.5	-177.5	178.9	175.9	135.9	-7.9	112	E132 I191 A192 F193 L232 L237	E132-R189 IonicContact OE1-NH1 3.83Å; E132-R189 PolarHBondContact OE1-NH1 3.44Å; R189-I191 VanDerWaalsContact C-N 3.32Å; R189-I191 PolarHBondContact O-N 3.16Å; R189-A192 PolarHBondContact O-N 2.98Å; R189-F193 VanDerWaalsContact O-CB 3.3Å; R189-F193 WeakPolarHBondContact O-CB 3.41Å; R189-F193 PolarHBondContact O-N 3.4Å; R189-L232 HydrophobicContact CG-CD2 4.33Å; R189-L232 PolarHBondContact NE-O 3.49Å; R189-L232 PolarHBondContact NH2-O 3.19Å; R189-L237 PolarHBondContact NH1-O 3.3Å; R189-L237 PolarHBondContact NH2-O 3.43Å
190	D	65.8	Low	66.6	Low	92 Å²	92	28 Å²	28	49%	0.492	15%	0.148	S	C	.	.	H	α-helix	trans	-61.5	-41.5	-178.9	-60	-22.7	0	0	0	111.5	S188 E194	S188-D190 VanDerWaalsContact C-N 3.31Å; S188-D190 PolarHBondContact O-N 3.4Å; D190-E194 WeakPolarHBondContact O-CG 3.36Å; D190-E194 PolarHBondContact O-N 2.75Å
191	I	69	Low	66.8	Low	1 Å²	1	27 Å²	27	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-73.8	-40.3	177.9	-59.1	-54.9	0	0	0	111.1	N46 L48 P186 S188 R189 F193 E194 Y195 W327 V330 Q334	N46-I191 HydrophobicContact CB-CG1 4.26Å; L48-I191 HydrophobicContact CD1-CD1 3.61Å; L48-I191 HydrophobicContact CD1-CG1 3.84Å; L48-I191 HydrophobicContact CD1-CG2 4.02Å; L48-I191 HydrophobicContact CD2-CB 4.16Å; L48-I191 HydrophobicContact CD2-CG1 3.96Å; L48-I191 HydrophobicContact CD2-CG2 3.47Å; L48-I191 VanDerWaalsContact CD2-CG2 3.47Å; L48-I191 HydrophobicContact CG-CG1 4.32Å; L48-I191 HydrophobicContact CG-CG2 4.38Å; P186-I191 HydrophobicContact CB-CB 4.13Å; P186-I191 HydrophobicContact CB-CG2 3.81Å; P186-I191 HydrophobicContact CG-CG2 4.24Å; S188-I191 PolarHBondContact O-N 2.88Å; S188-I191 WeakPolarHBondContact OG-CG1 3.19Å; R189-I191 VanDerWaalsContact C-N 3.32Å; R189-I191 PolarHBondContact O-N 3.16Å; I191-F193 PolarHBondContact O-N 3.23Å; I191-E194 PolarHBondContact O-N 3.26Å; I191-Y195 WeakPolarHBondContact O-CB 3.47Å; I191-Y195 PolarHBondContact O-N 2.78Å; I191-W327 HydrophobicContact CG2-CH2 4.4Å; I191-V330 HydrophobicContact CG2-CG1 4.38Å; I191-Q334 HydrophobicContact CD1-CG 4.22Å
192	A	67.5	Low	67	Low	21 Å²	21	29 Å²	29	17%	0.174	15%	0.153	C	C	.	.	H	α-helix	trans	-59.1	-40.3	175.4	0	0	0	0	0	111.5	L128 P186 S188 R189 Y195 V196	L128-A192 HydrophobicContact CD2-CB 4.41Å; P186-A192 HydrophobicContact CB-CB 3.95Å; P186-A192 HydrophobicContact CG-CB 4.19Å; S188-A192 PolarHBondContact O-N 3Å; R189-A192 PolarHBondContact O-N 2.98Å; A192-Y195 PolarHBondContact O-N 3.19Å; A192-V196 WeakPolarHBondContact O-CG2 3.44Å; A192-V196 PolarHBondContact O-N 2.93Å
193	F	66.1	Low	66.9	Low	38 Å²	38	26.4 Å²	26.4	17%	0.167	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-49.2	175.4	173.7	-100.2	0	0	0	112.3	R189 I191 Y195 V196 L197 A229 L232	R189-F193 VanDerWaalsContact O-CB 3.3Å; R189-F193 WeakPolarHBondContact O-CB 3.41Å; R189-F193 PolarHBondContact O-N 3.4Å; I191-F193 PolarHBondContact O-N 3.23Å; F193-Y195 PolarHBondContact O-N 3.02Å; F193-V196 PolarHBondContact O-N 3.19Å; F193-V196 VanDerWaalsContact O-N 3.17Å; F193-L197 HydrophobicContact CD1-CD1 4Å; F193-L197 HydrophobicContact CD1-CG 4.47Å; F193-L197 HydrophobicContact CE1-CD1 3.28Å; F193-L197 HydrophobicContact CE1-CG 4.04Å; F193-L197 HydrophobicContact CE2-CD1 4.17Å; F193-L197 HydrophobicContact CE2-CD2 4.47Å; F193-L197 HydrophobicContact CE2-CG 4.17Å; F193-L197 HydrophobicContact CZ-CD1 3.4Å; F193-L197 VanDerWaalsContact CZ-CD1 3.4Å; F193-L197 HydrophobicContact CZ-CD2 4.31Å; F193-L197 HydrophobicContact CZ-CG 3.89Å; F193-L197 PolarHBondContact O-N 2.66Å; F193-A229 HydrophobicContact CD2-CB 4.41Å; F193-A229 VanDerWaalsContact CE2-CA 3.42Å; F193-A229 HydrophobicContact CE2-CB 3.6Å; F193-A229 WeakPolarHBondContact CE2-O 3.49Å; F193-A229 HydrophobicContact CZ-CB 4.31Å; F193-L232 HydrophobicContact CD2-CB 3.89Å; F193-L232 HydrophobicContact CD2-CD1 4.25Å
194	E	70.2	Confident	66.5	Low	36 Å²	36	28.4 Å²	28.4	17%	0.168	15%	0.151	C	C	.	.	H	α-helix	trans	-59.6	-37.2	176.7	-75.4	-63.2	166.4	0	0	112.4	D190 I191 L197 A198 V330 K333	D190-E194 WeakPolarHBondContact O-CG 3.36Å; D190-E194 PolarHBondContact O-N 2.75Å; I191-E194 PolarHBondContact O-N 3.26Å; E194-L197 PolarHBondContact O-N 3.32Å; E194-A198 VanDerWaalsContact O-CB 3.31Å; E194-A198 WeakPolarHBondContact O-CB 3.36Å; E194-A198 PolarHBondContact O-N 2.82Å; E194-V330 HydrophobicContact CB-CG1 4.18Å; E194-K333 IonicContact OE1-NZ 2.65Å; E194-K333 PolarHBondContact OE1-NZ 2.91Å; E194-K333 VanDerWaalsContact OE2-CD 3.26Å; E194-K333 WeakPolarHBondContact OE2-CD 3.36Å; E194-K333 WeakPolarHBondContact OE2-CE 3.33Å; E194-K333 IonicContact OE2-NZ 3.21Å; E194-K333 PolarHBondContact OE2-NZ 2.71Å
195	Y	71.9	Confident	66.2	Low	4 Å²	4	33.9 Å²	33.9	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-45	174.3	-176.6	-97.7	0	0	0	113.1	F52 I124 L128 I191 A192 F193 A198 W199 L323 V326 W327 V330	F52-Y195 HydrophobicContact CE2-CE2 4.28Å; I124-Y195 HydrophobicContact CG2-CE1 3.79Å; L128-Y195 HydrophobicContact CD1-CD1 3.64Å; L128-Y195 HydrophobicContact CD1-CE1 3.88Å; I191-Y195 WeakPolarHBondContact O-CB 3.47Å; I191-Y195 PolarHBondContact O-N 2.78Å; A192-Y195 PolarHBondContact O-N 3.19Å; F193-Y195 PolarHBondContact O-N 3.02Å; Y195-A198 PolarHBondContact O-N 2.82Å; Y195-W199 WeakPolarHBondContact O-CB 3.08Å; Y195-W199 PolarHBondContact O-N 2.79Å; Y195-L323 WeakPolarHBondContact OH-CD2 3.49Å; Y195-V326 HydrophobicContact CD2-CG1 4Å; Y195-V326 HydrophobicContact CE2-CB 4.44Å; Y195-V326 HydrophobicContact CE2-CG1 3.94Å; Y195-W327 AromaticContact CD2-CE3 3.65Å; Y195-W327 HydrophobicContact CD2-CE3 3.65Å; Y195-W327 HydrophobicContact CD2-CZ3 4.2Å; Y195-W327 HydrophobicContact CE2-CB 4.41Å; Y195-W327 AromaticContact CE2-CE3 3.82Å; Y195-W327 HydrophobicContact CE2-CE3 3.82Å; Y195-V330 VanDerWaalsContact CA-CG2 3.46Å; Y195-V330 HydrophobicContact CD2-CG2 4.06Å
196	V	68.3	Low	65.9	Low	10 Å²	10	38 Å²	38	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-43.2	176.4	170.5	0	0	0	0	111.2	L128 A192 F193 W199 S200 I225	L128-V196 HydrophobicContact CD1-CG2 4.23Å; A192-V196 WeakPolarHBondContact O-CG2 3.44Å; A192-V196 PolarHBondContact O-N 2.93Å; F193-V196 PolarHBondContact O-N 3.19Å; F193-V196 VanDerWaalsContact O-N 3.17Å; V196-W199 PolarHBondContact O-N 3.14Å; V196-S200 WeakPolarHBondContact O-CB 3.23Å; V196-S200 PolarHBondContact O-N 3.22Å; V196-S200 PolarHBondContact O-OG 3.45Å; V196-I225 HydrophobicContact CG1-CG2 3.35Å
197	L	68.2	Low	65.4	Low	48 Å²	48	41.3 Å²	41.3	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-48.6	176.9	-76.3	-174.5	0	0	0	112.4	F193 E194 W199 S200 N201 A229	F193-L197 HydrophobicContact CD1-CD1 4Å; F193-L197 HydrophobicContact CD1-CG 4.47Å; F193-L197 HydrophobicContact CE1-CD1 3.28Å; F193-L197 HydrophobicContact CE1-CG 4.04Å; F193-L197 HydrophobicContact CE2-CD1 4.17Å; F193-L197 HydrophobicContact CE2-CD2 4.47Å; F193-L197 HydrophobicContact CE2-CG 4.17Å; F193-L197 HydrophobicContact CZ-CD1 3.4Å; F193-L197 VanDerWaalsContact CZ-CD1 3.4Å; F193-L197 HydrophobicContact CZ-CD2 4.31Å; F193-L197 HydrophobicContact CZ-CG 3.89Å; F193-L197 PolarHBondContact O-N 2.66Å; E194-L197 PolarHBondContact O-N 3.32Å; L197-W199 VanDerWaalsContact C-N 3.27Å; L197-W199 PolarHBondContact O-N 2.94Å; L197-S200 PolarHBondContact O-N 3.11Å; L197-N201 PolarHBondContact O-N 2.78Å; L197-A229 HydrophobicContact CD2-CB 3.61Å; L197-A229 HydrophobicContact CG-CB 4.5Å
198	A	68	Low	64.8	Low	17 Å²	17	44 Å²	44	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-39.5	179.2	0	0	0	0	0	111.3	E194 Y195 L202 V326 V330	E194-A198 VanDerWaalsContact O-CB 3.31Å; E194-A198 WeakPolarHBondContact O-CB 3.36Å; E194-A198 PolarHBondContact O-N 2.82Å; Y195-A198 PolarHBondContact O-N 2.82Å; A198-L202 PolarHBondContact O-N 2.85Å; A198-L202 VanDerWaalsContact O-N 3.13Å; A198-V326 HydrophobicContact CB-CG1 3.73Å; A198-V330 HydrophobicContact CB-CG2 3.94Å
199	W	71.6	Confident	63.9	Low	3 Å²	3	47.4 Å²	47.4	1%	0.011	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-44.7	174.5	-172.2	-94.9	0	0	0	112.9	F121 Y195 V196 L197 L202 L203 K322 L323 V326	F121-W199 AromaticContact CD2-CD1 3.41Å; F121-W199 VanDerWaalsContact CD2-CD1 3.41Å; F121-W199 AromaticContact CD2-CE2 3.88Å; F121-W199 HydrophobicContact CD2-CG 4.33Å; F121-W199 AromaticContact CD2-NE1 3.05Å; F121-W199 AromaticContact CE2-CD1 3.32Å; F121-W199 HydrophobicContact CE2-CG 4.3Å; F121-W199 AromaticContact CE2-NE1 3.49Å; F121-W199 AromaticContact CG-NE1 3.95Å; Y195-W199 WeakPolarHBondContact O-CB 3.08Å; Y195-W199 PolarHBondContact O-N 2.79Å; V196-W199 PolarHBondContact O-N 3.14Å; L197-W199 VanDerWaalsContact C-N 3.27Å; L197-W199 PolarHBondContact O-N 2.94Å; W199-L202 WeakPolarHBondContact O-CB 3.25Å; W199-L202 PolarHBondContact O-N 3.27Å; W199-L203 VanDerWaalsContact CD1-CD1 3.46Å; W199-L203 PolarHBondContact O-N 2.8Å; W199-K322 HydrophobicContact CH2-CB 3.63Å; W199-K322 HydrophobicContact CH2-CD 3.37Å; W199-K322 HydrophobicContact CH2-CG 3.34Å; W199-K322 HydrophobicContact CZ2-CD 3.86Å; W199-K322 HydrophobicContact CZ2-CG 4.27Å; W199-K322 VanDerWaalsContact CZ3-C 3.45Å; W199-K322 HydrophobicContact CZ3-CB 3.87Å; W199-K322 HydrophobicContact CZ3-CD 4.02Å; W199-K322 HydrophobicContact CZ3-CG 3.51Å; W199-L323 HydrophobicContact CD2-CD2 4.25Å; W199-L323 HydrophobicContact CE3-CD2 3.64Å; W199-L323 HydrophobicContact CE3-CG 4.37Å; W199-L323 HydrophobicContact CH2-CD2 3.56Å; W199-L323 HydrophobicContact CH2-CG 3.7Å; W199-L323 HydrophobicContact CZ2-CD2 4.15Å; W199-L323 HydrophobicContact CZ3-CB 4.16Å; W199-L323 HydrophobicContact CZ3-CD2 3.32Å; W199-L323 HydrophobicContact CZ3-CG 3.59Å; W199-V326 HydrophobicContact CB-CG1 3.94Å; W199-V326 HydrophobicContact CD2-CG2 4.24Å; W199-V326 HydrophobicContact CE3-CB 3.7Å; W199-V326 HydrophobicContact CE3-CG1 4.05Å; W199-V326 HydrophobicContact CE3-CG2 3.3Å; W199-V326 HydrophobicContact CZ3-CB 4.28Å; W199-V326 HydrophobicContact CZ3-CG2 3.78Å
200	S	66.4	Low	62.7	Low	11 Å²	11	52.8 Å²	52.8	8%	0.077	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-46.4	-179.6	-54.7	0	0	0	0	111.4	V196 L197 L202 L203 I204 I225	V196-S200 WeakPolarHBondContact O-CB 3.23Å; V196-S200 PolarHBondContact O-N 3.22Å; V196-S200 PolarHBondContact O-OG 3.45Å; L197-S200 PolarHBondContact O-N 3.11Å; S200-L202 VanDerWaalsContact C-N 3.28Å; S200-L202 PolarHBondContact O-N 3.48Å; S200-L203 PolarHBondContact O-N 3.46Å; S200-I204 VanDerWaalsContact O-CG1 3.3Å; S200-I204 WeakPolarHBondContact O-CG1 3.47Å; S200-I204 PolarHBondContact O-N 3.01Å; S200-I225 WeakPolarHBondContact OG-CG2 3.45Å
201	N	65.3	Low	61.4	Low	97 Å²	97	55 Å²	55	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-58.8	-41.6	175.5	-78.2	-11.2	0	0	0	111.8	L197 I204 N205	L197-N201 PolarHBondContact O-N 2.78Å; N201-I204 PolarHBondContact O-N 3.02Å; N201-N205 WeakPolarHBondContact O-CB 3.32Å; N201-N205 PolarHBondContact O-N 3.08Å; N201-N205 PolarHBondContact O-ND2 3.05Å; N201-N205 VanDerWaalsContact O-ND2 3.16Å
202	L	67.6	Low	59.7	Low	49 Å²	49	63.3 Å²	63.3	26%	0.257	35%	0.353	S	S	.	.	H	α-helix	trans	-62	-46.6	176.8	-173.1	75.4	0	0	0	111.5	A198 W199 S200 N205 E206 K322 V326	A198-L202 PolarHBondContact O-N 2.85Å; A198-L202 VanDerWaalsContact O-N 3.13Å; W199-L202 WeakPolarHBondContact O-CB 3.25Å; W199-L202 PolarHBondContact O-N 3.27Å; S200-L202 VanDerWaalsContact C-N 3.28Å; S200-L202 PolarHBondContact O-N 3.48Å; L202-N205 PolarHBondContact O-N 2.76Å; L202-E206 WeakPolarHBondContact O-CG 3.32Å; L202-E206 PolarHBondContact O-N 2.89Å; L202-K322 HydrophobicContact CD2-CD 3.97Å; L202-K322 HydrophobicContact CD2-CG 3.31Å; L202-V326 HydrophobicContact CB-CG2 4.13Å; L202-V326 HydrophobicContact CD2-CG2 3.4Å; L202-V326 VanDerWaalsContact CD2-CG2 3.4Å; L202-V326 HydrophobicContact CG-CG2 4.36Å
203	L	64.4	Low	58.1	Low	6 Å²	6	65.8 Å²	65.8	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-45	177.5	-74.5	171.4	0	0	0	112.5	W199 S200 E206 T207 L217 F222	W199-L203 VanDerWaalsContact CD1-CD1 3.46Å; W199-L203 PolarHBondContact O-N 2.8Å; S200-L203 PolarHBondContact O-N 3.46Å; L203-E206 PolarHBondContact O-N 2.93Å; L203-T207 WeakPolarHBondContact O-CG2 3.29Å; L203-T207 PolarHBondContact O-N 2.87Å; L203-T207 PolarHBondContact O-OG1 2.76Å; L203-L217 HydrophobicContact CD1-CD1 3.45Å; L203-L217 VanDerWaalsContact CD1-CD1 3.45Å; L203-F222 HydrophobicContact CB-CE1 3.57Å; L203-F222 HydrophobicContact CB-CZ 3.97Å; L203-F222 HydrophobicContact CD1-CE1 4.08Å; L203-F222 HydrophobicContact CG-CE1 4.49Å
204	I	59	Low	56.4	Low	62 Å²	62	73.6 Å²	73.6	32%	0.318	41%	0.409	S	S	.	.	H	α-helix	trans	-60	-49.5	179	-68.7	165	0	0	0	110	S200 N201 E206 T207 G208 F222	S200-I204 VanDerWaalsContact O-CG1 3.3Å; S200-I204 WeakPolarHBondContact O-CG1 3.47Å; S200-I204 PolarHBondContact O-N 3.01Å; N201-I204 PolarHBondContact O-N 3.02Å; I204-E206 VanDerWaalsContact C-N 3.29Å; I204-E206 PolarHBondContact O-N 3.44Å; I204-T207 PolarHBondContact O-N 3.43Å; I204-T207 PolarHBondContact O-OG1 3.03Å; I204-G208 PolarHBondContact O-N 2.63Å; I204-F222 HydrophobicContact CD1-CD1 4.47Å; I204-F222 HydrophobicContact CG1-CD1 3.93Å; I204-F222 HydrophobicContact CG1-CD2 4.37Å; I204-F222 HydrophobicContact CG1-CE1 3.89Å; I204-F222 HydrophobicContact CG1-CE2 4.35Å; I204-F222 HydrophobicContact CG1-CG 4.2Å; I204-F222 HydrophobicContact CG1-CZ 4.12Å
205	N	63.7	Low	54.6	Low	118 Å²	118	73.8 Å²	73.8	63%	0.631	42%	0.415	S	S	*	.	H	α-helix	trans	-63.8	-33.5	-178.9	-69.7	-24.2	0	0	0	113	N201 L202	N201-N205 WeakPolarHBondContact O-CB 3.32Å; N201-N205 PolarHBondContact O-N 3.08Å; N201-N205 PolarHBondContact O-ND2 3.05Å; N201-N205 VanDerWaalsContact O-ND2 3.16Å; L202-N205 PolarHBondContact O-N 2.76Å
206	E	60.1	Low	52.8	Low	92 Å²	92	78.9 Å²	78.9	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-74.4	-43.9	174.8	-76.5	178.7	-170.7	0	0	112.3	L202 L203 I204 G208 S209 K322	L202-E206 WeakPolarHBondContact O-CG 3.32Å; L202-E206 PolarHBondContact O-N 2.89Å; L203-E206 PolarHBondContact O-N 2.93Å; I204-E206 VanDerWaalsContact C-N 3.29Å; I204-E206 PolarHBondContact O-N 3.44Å; E206-G208 PolarHBondContact O-N 2.56Å; E206-S209 WeakPolarHBondContact O-CA 3.28Å; E206-S209 WeakPolarHBondContact O-CB 3.14Å; E206-S209 PolarHBondContact O-N 3.32Å; E206-K322 IonicContact OE1-NZ 2.61Å; E206-K322 WeakPolarHBondContact OE2-CE 2.88Å; E206-K322 IonicContact OE2-NZ 2.64Å; E206-K322 PolarHBondContact OE2-NZ 3.2Å
207	T	52.1	Low	51.1	Low	70 Å²	70	79.1 Å²	79.1	43%	0.429	44%	0.443	S	S	.	.	H	α-helix	trans	-65.7	-25.1	177.5	52.2	0	0	0	0	113.5	L203 I204 S209 F222	L203-T207 WeakPolarHBondContact O-CG2 3.29Å; L203-T207 PolarHBondContact O-N 2.87Å; L203-T207 PolarHBondContact O-OG1 2.76Å; I204-T207 PolarHBondContact O-N 3.43Å; I204-T207 PolarHBondContact O-OG1 3.03Å; T207-S209 PolarHBondContact O-N 3.5Å; T207-F222 HydrophobicContact CG2-CZ 4.33Å
208	G	48.8	Very low	49.7	Very low	62 Å²	62	77.4 Å²	77.4	64%	0.639	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.7	167.9	0	0	0	0	0	113.5	I204 E206 Q210	I204-G208 PolarHBondContact O-N 2.63Å; E206-G208 PolarHBondContact O-N 2.56Å; G208-Q210 PolarHBondContact O-N 3.43Å
209	S	44.2	Very low	48.3	Very low	84 Å²	84	81 Å²	81	59%	0.587	46%	0.458	S	S	*	.	S	Bend	trans	-88.2	98.9	169.8	-56.3	0	0	0	0	108.4	E206 T207 D211	E206-S209 WeakPolarHBondContact O-CA 3.28Å; E206-S209 WeakPolarHBondContact O-CB 3.14Å; E206-S209 PolarHBondContact O-N 3.32Å; T207-S209 PolarHBondContact O-N 3.5Å; S209-D211 PolarHBondContact O-N 2.99Å
210	Q	38.2	Very low	46.7	Very low	187 Å²	187	87.6 Å²	87.6	87%	0.874	49%	0.489	S	S	*	.			trans	-59	7.2	-165.3	-82.8	-173.6	-30.9	0	0	118.8	G208	G208-Q210 PolarHBondContact O-N 3.43Å
211	D	38.4	Very low	45.4	Very low	139 Å²	139	88.1 Å²	88.1	74%	0.743	49%	0.493	S	S	*	.	S	Bend	trans	-141	128.9	-174.9	-84.3	-46.2	0	0	0	111.7	S209	S209-D211 PolarHBondContact O-N 2.99Å
212	I	33.7	Very low	44.2	Very low	175 Å²	175	84.5 Å²	84.5	90%	0.897	47%	0.472	S	S	*	.	S	Bend	trans	90.8	105.1	163.2	-48.2	145.9	0	0	0	115.4
213	G	33.2	Very low	42.8	Very low	73 Å²	73	83.3 Å²	83.3	75%	0.753	47%	0.472	S	S	*	.			trans	107	81.3	159.8	0	0	0	0	0	113.6	S215	G213-S215 PolarHBondContact O-N 3.35Å
214	R	30.5	Very low	41.8	Very low	202 Å²	202	84.5 Å²	84.5	76%	0.762	48%	0.48	S	S	*	.			trans	-50.6	101.1	172.2	-74.7	177.8	175.2	172	-4	110.4	N216	R214-N216 PolarHBondContact O-N 2.87Å
215	S	33.7	Very low	41.2	Very low	41 Å²	41	82 Å²	82	29%	0.287	47%	0.466	S	S	.	.			trans	-62.8	118.3	150.9	164	0	0	0	0	106.2	G213 L217	G213-S215 PolarHBondContact O-N 3.35Å; S215-L217 CarbonylContact O-C 3.58Å; S215-L217 PolarHBondContact O-N 3.42Å; S215-L217 VanDerWaalsContact OG-CB 3.29Å; S215-L217 WeakPolarHBondContact OG-CB 3.1Å; S215-L217 PolarHBondContact OG-N 3.13Å
216	N	32.7	Very low	40.1	Very low	111 Å²	111	82.4 Å²	82.4	59%	0.594	47%	0.465	S	S	*	.	S	Bend	trans	-66	0.7	172.4	-65.9	-12.9	0	0	0	112.6	R214 A218	R214-N216 PolarHBondContact O-N 2.87Å; N216-A218 VanDerWaalsContact C-N 3.31Å; N216-A218 PolarHBondContact O-N 2.93Å; N216-A218 VanDerWaalsContact O-N 3.15Å
217	L	34.1	Very low	39.3	Very low	15 Å²	15	81.4 Å²	81.4	8%	0.079	46%	0.463	C	S	.	.	S	Bend	trans	-77	94.3	161.6	-60.8	160.3	0	0	0	106.2	F121 L203 S215	F121-L217 HydrophobicContact CD1-CD1 3.52Å; F121-L217 HydrophobicContact CD1-CD2 3.78Å; F121-L217 HydrophobicContact CD1-CG 4.04Å; F121-L217 HydrophobicContact CD2-CD1 4.38Å; F121-L217 HydrophobicContact CE1-CD1 3.6Å; F121-L217 HydrophobicContact CE1-CD2 3.51Å; F121-L217 HydrophobicContact CE1-CG 4.12Å; F121-L217 HydrophobicContact CE2-CD1 4.44Å; F121-L217 HydrophobicContact CG-CD1 3.89Å; F121-L217 HydrophobicContact CZ-CD1 4.06Å; F121-L217 HydrophobicContact CZ-CD2 4.45Å; L203-L217 HydrophobicContact CD1-CD1 3.45Å; L203-L217 VanDerWaalsContact CD1-CD1 3.45Å; S215-L217 CarbonylContact O-C 3.58Å; S215-L217 PolarHBondContact O-N 3.42Å; S215-L217 VanDerWaalsContact OG-CB 3.29Å; S215-L217 WeakPolarHBondContact OG-CB 3.1Å; S215-L217 PolarHBondContact OG-N 3.13Å
218	A	38.3	Very low	39	Very low	12 Å²	12	79.3 Å²	79.3	10%	0.099	45%	0.447	C	S	.	.			trans	-51.1	150.4	166.3	0	0	0	0	0	108.8	N216 E220 S221 E250	N216-A218 VanDerWaalsContact C-N 3.31Å; N216-A218 PolarHBondContact O-N 2.93Å; N216-A218 VanDerWaalsContact O-N 3.15Å; A218-E220 WeakPolarHBondContact CB-OE2 3.06Å; A218-E220 PolarHBondContact O-N 3.32Å; A218-S221 PolarHBondContact N-OG 3.37Å; A218-S221 WeakPolarHBondContact O-CA 3.04Å; A218-S221 WeakPolarHBondContact O-CB 3.32Å; A218-S221 PolarHBondContact O-N 2.83Å; A218-S221 PolarHBondContact O-OG 2.72Å; A218-E250 HydrophobicContact CB-CG 4.05Å
219	P	37.4	Very low	38.8	Very low	93 Å²	93	76.8 Å²	76.8	60%	0.604	42%	0.42	S	S	*	.	H	α-helix	trans	-49.3	-30.2	176.8	-28.1	35.2	0	0	0	113.6	S221 F222	P219-S221 PolarHBondContact O-N 2.94Å; P219-F222 VanDerWaalsContact CA-CD2 3.43Å; P219-F222 HydrophobicContact CB-CD2 4.16Å; P219-F222 HydrophobicContact CB-CE2 4.39Å; P219-F222 VanDerWaalsContact O-CB 3.22Å; P219-F222 WeakPolarHBondContact O-CB 3.34Å; P219-F222 VanDerWaalsContact O-CD2 3.29Å; P219-F222 WeakPolarHBondContact O-CD2 3.41Å; P219-F222 PolarHBondContact O-N 3.02Å
220	E	38.5	Very low	38.6	Very low	141 Å²	141	77.6 Å²	77.6	66%	0.659	41%	0.414	S	S	*	.	H	α-helix	trans	-63.7	-27.5	173.7	-58.4	86.2	175.3	0	0	113.2	A218 F222 G223	A218-E220 WeakPolarHBondContact CB-OE2 3.06Å; A218-E220 PolarHBondContact O-N 3.32Å; E220-F222 VanDerWaalsContact C-N 3.25Å; E220-F222 PolarHBondContact O-N 3.02Å; E220-G223 PolarHBondContact O-N 3.44Å; E220-G223 VanDerWaalsContact O-N 3.11Å
221	S	39.1	Very low	38.8	Very low	22 Å²	22	73 Å²	73	15%	0.154	39%	0.39	C	S	.	.	H	α-helix	trans	-67.5	-25	171.7	-53.4	0	0	0	0	112.1	A218 P219 G223 V224 I225	A218-S221 PolarHBondContact N-OG 3.37Å; A218-S221 WeakPolarHBondContact O-CA 3.04Å; A218-S221 WeakPolarHBondContact O-CB 3.32Å; A218-S221 PolarHBondContact O-N 2.83Å; A218-S221 PolarHBondContact O-OG 2.72Å; P219-S221 PolarHBondContact O-N 2.94Å; S221-G223 PolarHBondContact O-N 2.74Å; S221-V224 VanDerWaalsContact O-CB 3.32Å; S221-V224 WeakPolarHBondContact O-CB 3.09Å; S221-V224 PolarHBondContact O-N 3.15Å; S221-I225 PolarHBondContact O-N 3.02Å; S221-I225 VanDerWaalsContact O-N 3.15Å
222	F	39.7	Very low	39.1	Very low	20 Å²	20	67.1 Å²	67.1	9%	0.088	36%	0.358	C	S	.	.	H	α-helix	trans	-63	-36.6	170	-62.2	-56.3	0	0	0	110.7	L203 I204 T207 P219 E220 V224 I225 E226	L203-F222 HydrophobicContact CB-CE1 3.57Å; L203-F222 HydrophobicContact CB-CZ 3.97Å; L203-F222 HydrophobicContact CD1-CE1 4.08Å; L203-F222 HydrophobicContact CG-CE1 4.49Å; I204-F222 HydrophobicContact CD1-CD1 4.47Å; I204-F222 HydrophobicContact CG1-CD1 3.93Å; I204-F222 HydrophobicContact CG1-CD2 4.37Å; I204-F222 HydrophobicContact CG1-CE1 3.89Å; I204-F222 HydrophobicContact CG1-CE2 4.35Å; I204-F222 HydrophobicContact CG1-CG 4.2Å; I204-F222 HydrophobicContact CG1-CZ 4.12Å; T207-F222 HydrophobicContact CG2-CZ 4.33Å; P219-F222 VanDerWaalsContact CA-CD2 3.43Å; P219-F222 HydrophobicContact CB-CD2 4.16Å; P219-F222 HydrophobicContact CB-CE2 4.39Å; P219-F222 VanDerWaalsContact O-CB 3.22Å; P219-F222 WeakPolarHBondContact O-CB 3.34Å; P219-F222 VanDerWaalsContact O-CD2 3.29Å; P219-F222 WeakPolarHBondContact O-CD2 3.41Å; P219-F222 PolarHBondContact O-N 3.02Å; E220-F222 VanDerWaalsContact C-N 3.25Å; E220-F222 PolarHBondContact O-N 3.02Å; F222-V224 PolarHBondContact O-N 3.43Å; F222-I225 HydrophobicContact CD1-CD1 4.4Å; F222-I225 CarbonylContact O-C 3.53Å; F222-I225 PolarHBondContact O-N 2.65Å; F222-E226 WeakPolarHBondContact O-CB 3.26Å; F222-E226 WeakPolarHBondContact O-CG 3.27Å; F222-E226 PolarHBondContact O-N 3.08Å
223	G	39.4	Very low	39.3	Very low	25 Å²	25	62.5 Å²	62.5	26%	0.258	34%	0.341	S	S	.	.	H	α-helix	trans	-58.6	-34	172	0	0	0	0	0	112.3	E220 S221 N227	E220-G223 PolarHBondContact O-N 3.44Å; E220-G223 VanDerWaalsContact O-N 3.11Å; S221-G223 PolarHBondContact O-N 2.74Å; G223-N227 WeakPolarHBondContact O-CB 3.31Å; G223-N227 VanDerWaalsContact O-CG 3.25Å; G223-N227 PolarHBondContact O-N 3.33Å; G223-N227 PolarHBondContact O-ND2 3.12Å
224	V	43.5	Very low	39.7	Very low	31 Å²	31	62 Å²	62	19%	0.188	32%	0.324	C	S	.	.	H	α-helix	trans	-66.5	-42.3	173	-176.8	0	0	0	0	110.7	L20 S221 F222 W228	L20-V224 HydrophobicContact CD1-CG2 3.74Å; L20-V224 HydrophobicContact CD2-CG2 4.43Å; S221-V224 VanDerWaalsContact O-CB 3.32Å; S221-V224 WeakPolarHBondContact O-CB 3.09Å; S221-V224 PolarHBondContact O-N 3.15Å; F222-V224 PolarHBondContact O-N 3.43Å; V224-W228 VanDerWaalsContact O-CB 3.31Å; V224-W228 WeakPolarHBondContact O-CB 3.46Å; V224-W228 VanDerWaalsContact O-CD1 3.3Å; V224-W228 PolarHBondContact O-N 3.24Å
225	I	46	Very low	40.1	Very low	8 Å²	8	54.9 Å²	54.9	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-73.4	-40.7	-178.3	-53.6	167	0	0	0	112	F121 V196 S200 S221 F222 W228 A229	F121-I225 HydrophobicContact CE1-CD1 4.44Å; F121-I225 HydrophobicContact CE2-CD1 4.39Å; F121-I225 HydrophobicContact CZ-CD1 3.69Å; F121-I225 HydrophobicContact CZ-CG1 4.21Å; V196-I225 HydrophobicContact CG1-CG2 3.35Å; S200-I225 WeakPolarHBondContact OG-CG2 3.45Å; S221-I225 PolarHBondContact O-N 3.02Å; S221-I225 VanDerWaalsContact O-N 3.15Å; F222-I225 HydrophobicContact CD1-CD1 4.4Å; F222-I225 CarbonylContact O-C 3.53Å; F222-I225 PolarHBondContact O-N 2.65Å; I225-W228 CarbonylContact O-C 3.56Å; I225-W228 WeakPolarHBondContact O-CA 3.45Å; I225-W228 VanDerWaalsContact O-CB 3.3Å; I225-W228 WeakPolarHBondContact O-CB 3.18Å; I225-W228 PolarHBondContact O-N 2.95Å; I225-A229 WeakPolarHBondContact O-CB 3.26Å; I225-A229 PolarHBondContact O-N 3.48Å
226	E	40.9	Very low	40.4	Very low	127 Å²	127	57 Å²	57	59%	0.593	32%	0.317	S	S	*	.	H	α-helix	trans	-61.8	-48	173.8	-76	-175.9	161.1	0	0	110.9	F222 W228 A229 E230	F222-E226 WeakPolarHBondContact O-CB 3.26Å; F222-E226 WeakPolarHBondContact O-CG 3.27Å; F222-E226 PolarHBondContact O-N 3.08Å; E226-W228 VanDerWaalsContact C-N 3.27Å; E226-W228 PolarHBondContact O-N 3.32Å; E226-A229 WeakPolarHBondContact O-CB 3.39Å; E226-A229 PolarHBondContact O-N 2.85Å; E226-A229 VanDerWaalsContact O-N 3.16Å; E226-E230 WeakPolarHBondContact O-CB 3.37Å; E226-E230 PolarHBondContact O-N 3.46Å
227	N	43.1	Very low	40.6	Very low	72 Å²	72	52.1 Å²	52.1	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-57.5	-44.4	172.1	-82.7	-56.1	0	0	0	110.1	G223 A229 E230 Y231	G223-N227 WeakPolarHBondContact O-CB 3.31Å; G223-N227 VanDerWaalsContact O-CG 3.25Å; G223-N227 PolarHBondContact O-N 3.33Å; G223-N227 PolarHBondContact O-ND2 3.12Å; N227-A229 VanDerWaalsContact C-N 3.34Å; N227-A229 PolarHBondContact O-N 3.13Å; N227-E230 PolarHBondContact O-N 2.92Å; N227-Y231 HydrophobicContact CB-CD2 4.04Å; N227-Y231 HydrophobicContact CB-CE2 3.95Å; N227-Y231 WeakPolarHBondContact O-CB 3.33Å; N227-Y231 WeakPolarHBondContact O-CD2 3.45Å; N227-Y231 PolarHBondContact O-N 2.86Å
228	W	45.9	Very low	40.7	Very low	26 Å²	26	53 Å²	53	10%	0.098	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-44.6	176.2	-104.6	68.6	0	0	0	112.9	I129 V224 I225 E226 E230 Y231 L232 L237 I245	I129-W228 HydrophobicContact CB-CH2 4.35Å; I129-W228 HydrophobicContact CD1-CH2 4.27Å; I129-W228 HydrophobicContact CD1-CZ2 4.23Å; I129-W228 HydrophobicContact CG1-CH2 3.54Å; I129-W228 HydrophobicContact CG1-CZ2 4Å; I129-W228 HydrophobicContact CG1-CZ3 4.03Å; I129-W228 HydrophobicContact CG2-CH2 4.31Å; V224-W228 VanDerWaalsContact O-CB 3.31Å; V224-W228 WeakPolarHBondContact O-CB 3.46Å; V224-W228 VanDerWaalsContact O-CD1 3.3Å; V224-W228 PolarHBondContact O-N 3.24Å; I225-W228 CarbonylContact O-C 3.56Å; I225-W228 WeakPolarHBondContact O-CA 3.45Å; I225-W228 VanDerWaalsContact O-CB 3.3Å; I225-W228 WeakPolarHBondContact O-CB 3.18Å; I225-W228 PolarHBondContact O-N 2.95Å; E226-W228 VanDerWaalsContact C-N 3.27Å; E226-W228 PolarHBondContact O-N 3.32Å; W228-E230 VanDerWaalsContact C-N 3.34Å; W228-Y231 PolarHBondContact O-N 2.99Å; W228-L232 HydrophobicContact CE3-CD1 3.68Å; W228-L232 HydrophobicContact CE3-CG 4.02Å; W228-L232 HydrophobicContact CZ3-CD1 4.02Å; W228-L232 HydrophobicContact CZ3-CD2 4.38Å; W228-L232 HydrophobicContact CZ3-CG 4.29Å; W228-L232 WeakPolarHBondContact O-CB 3.44Å; W228-L232 WeakPolarHBondContact O-CG 3.12Å; W228-L232 PolarHBondContact O-N 3.05Å; W228-L237 HydrophobicContact CD2-CD1 3.92Å; W228-L237 HydrophobicContact CE3-CD1 4.26Å; W228-L237 HydrophobicContact CG-CD1 4.21Å; W228-L237 HydrophobicContact CZ2-CD1 4.28Å; W228-I245 VanDerWaalsContact CE2-CD1 3.48Å; W228-I245 HydrophobicContact CZ2-CD1 3.33Å
229	A	45.3	Very low	40.6	Very low	9 Å²	9	53.5 Å²	53.5	7%	0.074	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-47.2	176.7	0	0	0	0	0	110.3	F193 L197 I225 E226 N227 Y231 S233	F193-A229 HydrophobicContact CD2-CB 4.41Å; F193-A229 VanDerWaalsContact CE2-CA 3.42Å; F193-A229 HydrophobicContact CE2-CB 3.6Å; F193-A229 WeakPolarHBondContact CE2-O 3.49Å; F193-A229 HydrophobicContact CZ-CB 4.31Å; L197-A229 HydrophobicContact CD2-CB 3.61Å; L197-A229 HydrophobicContact CG-CB 4.5Å; I225-A229 WeakPolarHBondContact O-CB 3.26Å; I225-A229 PolarHBondContact O-N 3.48Å; E226-A229 WeakPolarHBondContact O-CB 3.39Å; E226-A229 PolarHBondContact O-N 2.85Å; E226-A229 VanDerWaalsContact O-N 3.16Å; N227-A229 VanDerWaalsContact C-N 3.34Å; N227-A229 PolarHBondContact O-N 3.13Å; A229-Y231 PolarHBondContact O-N 3.31Å; A229-S233 VanDerWaalsContact O-CB 3.23Å; A229-S233 WeakPolarHBondContact O-CB 3.39Å; A229-S233 PolarHBondContact O-N 3.42Å; A229-S233 PolarHBondContact O-OG 2.68Å
230	E	39.4	Very low	40.4	Very low	101 Å²	101	52.7 Å²	52.7	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-60.9	-43.4	176.5	-164	-172.5	161.1	0	0	112.2	E226 N227 W228 S233 T234	E226-E230 WeakPolarHBondContact O-CB 3.37Å; E226-E230 PolarHBondContact O-N 3.46Å; N227-E230 PolarHBondContact O-N 2.92Å; W228-E230 VanDerWaalsContact C-N 3.34Å; E230-S233 WeakPolarHBondContact CA-OG 3.4Å; E230-S233 PolarHBondContact O-OG 2.58Å; E230-T234 WeakPolarHBondContact O-CB 3.15Å; E230-T234 WeakPolarHBondContact O-CG2 3.07Å; E230-T234 PolarHBondContact O-N 3.48Å; E230-T234 PolarHBondContact O-OG1 2.57Å
231	Y	41.6	Very low	40.2	Very low	91 Å²	91	46.1 Å²	46.1	36%	0.357	26%	0.258	S	S	.	.	H	α-helix	trans	-79.5	-29.2	-177.8	-69.7	-68.2	0	0	0	113.7	N227 W228 A229 T234 G235 K236 L237	N227-Y231 HydrophobicContact CB-CD2 4.04Å; N227-Y231 HydrophobicContact CB-CE2 3.95Å; N227-Y231 WeakPolarHBondContact O-CB 3.33Å; N227-Y231 WeakPolarHBondContact O-CD2 3.45Å; N227-Y231 PolarHBondContact O-N 2.86Å; W228-Y231 PolarHBondContact O-N 2.99Å; A229-Y231 PolarHBondContact O-N 3.31Å; Y231-T234 WeakPolarHBondContact CA-OG1 3.31Å; Y231-T234 PolarHBondContact O-OG1 2.73Å; Y231-G235 PolarHBondContact O-N 3.43Å; Y231-K236 HydrophobicContact CD1-CB 3.8Å; Y231-K236 HydrophobicContact CD1-CD 4.04Å; Y231-K236 HydrophobicContact CE1-CD 4.23Å; Y231-K236 PolarHBondContact O-N 3.27Å; Y231-K236 VanDerWaalsContact O-N 3.1Å; Y231-L237 HydrophobicContact CG-CG 4.46Å; Y231-L237 PolarHBondContact O-N 3.26Å
232	L	44.7	Very low	40	Very low	14 Å²	14	46.1 Å²	46.1	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-67.8	-45.6	169.3	-81.6	176	0	0	0	110.6	R189 F193 W228 T234 G235 L237	R189-L232 HydrophobicContact CG-CD2 4.33Å; R189-L232 PolarHBondContact NE-O 3.49Å; R189-L232 PolarHBondContact NH2-O 3.19Å; F193-L232 HydrophobicContact CD2-CB 3.89Å; F193-L232 HydrophobicContact CD2-CD1 4.25Å; W228-L232 HydrophobicContact CE3-CD1 3.68Å; W228-L232 HydrophobicContact CE3-CG 4.02Å; W228-L232 HydrophobicContact CZ3-CD1 4.02Å; W228-L232 HydrophobicContact CZ3-CD2 4.38Å; W228-L232 HydrophobicContact CZ3-CG 4.29Å; W228-L232 WeakPolarHBondContact O-CB 3.44Å; W228-L232 WeakPolarHBondContact O-CG 3.12Å; W228-L232 PolarHBondContact O-N 3.05Å; L232-T234 VanDerWaalsContact C-N 3.34Å; L232-T234 PolarHBondContact O-N 2.95Å; L232-G235 PolarHBondContact O-N 3.01Å; L232-L237 HydrophobicContact CG-CD1 4.4Å
233	S	39.1	Very low	39.4	Very low	78 Å²	78	54 Å²	54	55%	0.545	29%	0.287	S	S	.	.	H	α-helix	trans	-66.8	-33.7	179.3	60.3	0	0	0	0	112.8	A229 E230 G235	A229-S233 VanDerWaalsContact O-CB 3.23Å; A229-S233 WeakPolarHBondContact O-CB 3.39Å; A229-S233 PolarHBondContact O-N 3.42Å; A229-S233 PolarHBondContact O-OG 2.68Å; E230-S233 WeakPolarHBondContact CA-OG 3.4Å; E230-S233 PolarHBondContact O-OG 2.58Å; S233-G235 VanDerWaalsContact C-N 3.34Å
234	T	41.5	Very low	38.9	Very low	64 Å²	64	58.5 Å²	58.5	39%	0.393	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.3	178.6	56.3	0	0	0	0	114.4	E230 Y231 L232 K236	E230-T234 WeakPolarHBondContact O-CB 3.15Å; E230-T234 WeakPolarHBondContact O-CG2 3.07Å; E230-T234 PolarHBondContact O-N 3.48Å; E230-T234 PolarHBondContact O-OG1 2.57Å; Y231-T234 WeakPolarHBondContact CA-OG1 3.31Å; Y231-T234 PolarHBondContact O-OG1 2.73Å; L232-T234 VanDerWaalsContact C-N 3.34Å; L232-T234 PolarHBondContact O-N 2.95Å; T234-K236 PolarHBondContact O-N 2.83Å; T234-K236 VanDerWaalsContact O-N 3.09Å; T234-K236 WeakPolarHBondContact OG1-CD 3.5Å; T234-K236 WeakPolarHBondContact OG1-CG 3.41Å
235	G	38.1	Very low	38.5	Very low	51 Å²	51	58.9 Å²	58.9	53%	0.526	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	1.8	-177.5	0	0	0	0	0	114.6	Y231 L232 S233	Y231-G235 PolarHBondContact O-N 3.43Å; L232-G235 PolarHBondContact O-N 3.01Å; S233-G235 VanDerWaalsContact C-N 3.34Å
236	K	39.2	Very low	37.8	Very low	86 Å²	86	65.8 Å²	65.8	37%	0.374	33%	0.332	S	S	.	.			trans	-78.5	-28.7	-170.8	-73.7	178.3	-171.8	166.9	0	113.4	Y231 T234 S238	Y231-K236 HydrophobicContact CD1-CB 3.8Å; Y231-K236 HydrophobicContact CD1-CD 4.04Å; Y231-K236 HydrophobicContact CE1-CD 4.23Å; Y231-K236 PolarHBondContact O-N 3.27Å; Y231-K236 VanDerWaalsContact O-N 3.1Å; T234-K236 PolarHBondContact O-N 2.83Å; T234-K236 VanDerWaalsContact O-N 3.09Å; T234-K236 WeakPolarHBondContact OG1-CD 3.5Å; T234-K236 WeakPolarHBondContact OG1-CG 3.41Å; K236-S238 PolarHBondContact O-N 3.06Å
237	L	38.1	Very low	37.4	Very low	9 Å²	9	63.3 Å²	63.3	5%	0.047	33%	0.325	C	S	.	.	S	Bend	trans	-72.7	111.6	163.6	-84.7	163.8	0	0	0	108.1	R189 W228 Y231 L232 S241	R189-L237 PolarHBondContact NH1-O 3.3Å; R189-L237 PolarHBondContact NH2-O 3.43Å; W228-L237 HydrophobicContact CD2-CD1 3.92Å; W228-L237 HydrophobicContact CE3-CD1 4.26Å; W228-L237 HydrophobicContact CG-CD1 4.21Å; W228-L237 HydrophobicContact CZ2-CD1 4.28Å; Y231-L237 HydrophobicContact CG-CG 4.46Å; Y231-L237 PolarHBondContact O-N 3.26Å; L232-L237 HydrophobicContact CG-CD1 4.4Å; L237-S241 WeakPolarHBondContact CD2-OG 3.47Å
238	S	36.6	Very low	36.8	Very low	32 Å²	32	65.2 Å²	65.2	22%	0.224	33%	0.332	C	S	.	.			trans	-73.4	155.8	159.9	87.2	0	0	0	0	108.6	K236 K240 S241	K236-S238 PolarHBondContact O-N 3.06Å; S238-K240 PolarHBondContact O-N 3.5Å; S238-K240 PolarHBondContact OG-N 3.12Å; S238-S241 PolarHBondContact N-OG 3.06Å; S238-S241 PolarHBondContact O-N 3.15Å; S238-S241 VanDerWaalsContact O-N 3.09Å; S238-S241 PolarHBondContact O-OG 2.9Å
239	S	36.4	Very low	36	Very low	24 Å²	24	69.1 Å²	69.1	17%	0.168	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-49.3	-32.2	176	49.2	0	0	0	0	113.1	D133 S241 S242	D133-S239 VanDerWaalsContact OD1-C 3.28Å; S239-S241 PolarHBondContact O-N 3.06Å; S239-S242 PolarHBondContact O-OG 3.23Å
240	K	31.5	Very low	35.4	Very low	76 Å²	76	74.3 Å²	74.3	33%	0.33	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-77.3	-9.5	-176.6	-59.7	-166.7	-169.5	159.3	0	116.4	N27 S238 S242 R243	N27-K240 WeakPolarHBondContact ND2-CD 3.32Å; N27-K240 WeakPolarHBondContact ND2-CE 3.04Å; N27-K240 PolarHBondContact ND2-NZ 2.74Å; N27-K240 PolarHBondContact OD1-NZ 3.04Å; S238-K240 PolarHBondContact O-N 3.5Å; S238-K240 PolarHBondContact OG-N 3.12Å; K240-S242 PolarHBondContact O-N 3.05Å; K240-R243 PolarHBondContact O-N 3.47Å
241	S	35.9	Very low	35.1	Very low	3 Å²	3	74.7 Å²	74.7	2%	0.021	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-73.2	-13.6	-177.9	1.2	0	0	0	0	113.4	L237 S238 S239 R243 F244	L237-S241 WeakPolarHBondContact CD2-OG 3.47Å; S238-S241 PolarHBondContact N-OG 3.06Å; S238-S241 PolarHBondContact O-N 3.15Å; S238-S241 VanDerWaalsContact O-N 3.09Å; S238-S241 PolarHBondContact O-OG 2.9Å; S239-S241 PolarHBondContact O-N 3.06Å; S241-R243 PolarHBondContact O-N 3.16Å; S241-R243 VanDerWaalsContact O-N 3.16Å; S241-F244 PolarHBondContact O-N 3.46Å
242	S	33.3	Very low	34.4	Very low	22 Å²	22	76.1 Å²	76.1	15%	0.154	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-53.3	-26.2	169.4	58.4	0	0	0	0	114.3	D133 S239 K240 F244	D133-S242 WeakPolarHBondContact OD2-CB 3.42Å; D133-S242 PolarHBondContact OD2-OG 3.34Å; S239-S242 PolarHBondContact O-OG 3.23Å; K240-S242 PolarHBondContact O-N 3.05Å; S242-F244 PolarHBondContact O-N 2.92Å; S242-F244 VanDerWaalsContact O-N 3.09Å
243	R	27.6	Very low	33.8	Very low	185 Å²	185	78 Å²	78	70%	0.698	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-68.1	-7.1	-176.6	-65	-171	-176.3	-155	-0.3	114.4	K240 S241	K240-R243 PolarHBondContact O-N 3.47Å; S241-R243 PolarHBondContact O-N 3.16Å; S241-R243 VanDerWaalsContact O-N 3.16Å
244	F	29.1	Very low	33.4	Very low	119 Å²	119	80.8 Å²	80.8	52%	0.522	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-120.3	12.4	-170.4	-62.5	-75.3	0	0	0	113.8	L22 S241 S242	L22-F244 HydrophobicContact CD2-CB 3.61Å; S241-F244 PolarHBondContact O-N 3.46Å; S242-F244 PolarHBondContact O-N 2.92Å; S242-F244 VanDerWaalsContact O-N 3.09Å
245	I	35.6	Very low	32.8	Very low	40 Å²	40	86 Å²	86	21%	0.205	45%	0.454	C	S	.	.			trans	-100.3	100.3	-178.2	-55.9	166.1	0	0	0	109.6	L22 W228 V247	L22-I245 HydrophobicContact CD1-CG1 4.29Å; L22-I245 HydrophobicContact CD2-CG1 3.68Å; W228-I245 VanDerWaalsContact CE2-CD1 3.48Å; W228-I245 HydrophobicContact CZ2-CD1 3.33Å; I245-V247 HydrophobicContact CG2-CG2 3.96Å
246	Q	31.2	Very low	32.2	Very low	153 Å²	153	91.7 Å²	91.7	72%	0.715	47%	0.467	S	S	*	.			trans	-92.7	101.2	165.2	-153.2	169.5	-35.5	0	0	106.1	E248	Q246-E248 VanDerWaalsContact C-N 3.28Å; Q246-E248 HydrophobicContact CG-CG 4.06Å; Q246-E248 PolarHBondContact NE2-OE1 2.77Å; Q246-E248 PolarHBondContact O-N 3.18Å; Q246-E248 VanDerWaalsContact O-N 3.13Å
247	V	32.2	Very low	31.6	Very low	74 Å²	74	95.7 Å²	95.7	45%	0.448	49%	0.487	S	S	.	.			trans	-76.6	92.4	164.9	-176.4	0	0	0	0	104.6	I245	I245-V247 HydrophobicContact CG2-CG2 3.96Å
248	E	30	Very low	31	Very low	113 Å²	113	101.8 Å²	101.8	53%	0.528	52%	0.519	S	S	.	.			trans	-69.9	126.2	172.3	-69.7	-164	158	0	0	107.7	Q246	Q246-E248 VanDerWaalsContact C-N 3.28Å; Q246-E248 HydrophobicContact CG-CG 4.06Å; Q246-E248 PolarHBondContact NE2-OE1 2.77Å; Q246-E248 PolarHBondContact O-N 3.18Å; Q246-E248 VanDerWaalsContact O-N 3.13Å
249	P	30.2	Very low	30.6	Very low	108 Å²	108	108.6 Å²	108.6	70%	0.701	55%	0.552	S	S	*	*			trans	-56.2	145	167.3	25	-31	0	0	0	108
250	E	31.4	Very low	30.2	Very low	118 Å²	118	111.7 Å²	111.7	55%	0.551	57%	0.574	S	S	*	*			trans	-44.5	135.2	168	-92	-169	159.2	0	0	108.6	A218	A218-E250 HydrophobicContact CB-CG 4.05Å
251	P	33	Very low	29.9	Very low	108 Å²	108	112.8 Å²	112.8	70%	0.701	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-51.6	137.2	171.5	21.2	-29.9	0	0	0	107.7	S253	P251-S253 PolarHBondContact O-N 2.77Å
252	P	28.7	Very low	29.5	Very low	121 Å²	121	120.1 Å²	120.1	79%	0.786	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-48.8	118.2	178.9	18.8	-30.2	0	0	0	107.2	I254	P252-I254 PolarHBondContact O-N 2.8Å
253	S	31.4	Very low	29.2	Very low	54 Å²	54	125.4 Å²	125.4	38%	0.378	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-46.1	121.6	179.9	-35.1	0	0	0	0	106.5	P251 F255	P251-S253 PolarHBondContact O-N 2.77Å; S253-F255 PolarHBondContact O-N 3.26Å
254	I	30.2	Very low	29.1	Very low	137 Å²	137	122.2 Å²	122.2	70%	0.703	67%	0.667	S	S	*	*	S	Bend	trans	-66.2	75.5	176.8	-57.6	166.5	0	0	0	106.5	P252 E257	P252-I254 PolarHBondContact O-N 2.8Å; I254-E257 HydrophobicContact CG2-CB 4.42Å; I254-E257 HydrophobicContact CG2-CG 4.23Å
255	F	28.7	Very low	29	Very low	173 Å²	173	125.2 Å²	125.2	76%	0.759	68%	0.683	S	S	*	*			trans	-121.3	53.8	168.1	-80.6	-73.9	0	0	0	106.3	S253	S253-F255 PolarHBondContact O-N 3.26Å
256	H	27.1	Very low	28.5	Very low	171 Å²	171	130.4 Å²	130.4	79%	0.792	71%	0.711	S	S	*	*			trans	-166.7	47.5	156.5	-99.9	-50.9	0	0	0	110	L258	H256-L258 PolarHBondContact O-N 2.78Å
257	E	25.4	Very low	28.3	Very low	170 Å²	170	128 Å²	128	79%	0.794	71%	0.709	S	S	*	*			trans	-81.6	103.1	150.5	-95.3	-178.2	164	0	0	106.7	I254 D259	I254-E257 HydrophobicContact CG2-CB 4.42Å; I254-E257 HydrophobicContact CG2-CG 4.23Å; E257-D259 PolarHBondContact O-N 3.37Å
258	L	26.6	Very low	27.9	Very low	136 Å²	136	131.4 Å²	131.4	71%	0.712	72%	0.723	S	S	*	*			trans	-39.4	129.2	165.1	-96.4	74.4	0	0	0	109.8	H256 S260	H256-L258 PolarHBondContact O-N 2.78Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 2.82Å; L258-S260 PolarHBondContact O-OG 2.96Å
259	D	26.7	Very low	27.6	Very low	175 Å²	175	134.6 Å²	134.6	94%	0.936	74%	0.738	S	S	*	*			trans	-41.8	95.2	158.3	-80.1	-46.9	0	0	0	110.4	E257	E257-D259 PolarHBondContact O-N 3.37Å
260	S	29.5	Very low	27.3	Very low	89 Å²	89	136.2 Å²	136.2	62%	0.622	74%	0.74	S	S	*	*			trans	-152	72.7	169.1	45.4	0	0	0	0	109.6	L258	L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 2.82Å; L258-S260 PolarHBondContact O-OG 2.96Å
261	S	24.4	Very low	26.9	Very low	99 Å²	99	135 Å²	135	69%	0.692	75%	0.75	S	S	*	*			trans	43.2	115.4	136.8	62.3	0	0	0	0	118.7
262	N	27.1	Very low	26.5	Very low	158 Å²	158	136.4 Å²	136.4	85%	0.845	76%	0.757	S	S	*	*			trans	68.5	73.5	143.9	-59.8	-18.5	0	0	0	118.4
263	V	26.7	Very low	26.1	Very low	133 Å²	133	139.7 Å²	139.7	81%	0.806	76%	0.759	S	S	*	*			trans	-136.4	113.4	146.4	-173.3	0	0	0	0	109
264	S	25	Very low	25.6	Very low	117 Å²	117	145.7 Å²	145.7	82%	0.818	78%	0.781	S	S	*	*			trans	-90.6	102	173.5	61.7	0	0	0	0	109.4
265	E	27.5	Very low	25.2	Very low	182 Å²	182	145.2 Å²	145.2	85%	0.85	78%	0.778	S	S	*	*			trans	-138.4	135.7	162.7	-73.4	-166.3	160.6	0	0	111
266	N	24.7	Very low	24.9	Very low	149 Å²	149	142.7 Å²	142.7	80%	0.797	78%	0.777	S	S	*	*			trans	-56.4	144.3	-162.3	-81.7	-54.5	0	0	0	115.1	I268	N266-I268 PolarHBondContact O-N 2.85Å; N266-I268 VanDerWaalsContact O-N 3.11Å
267	P	27.2	Very low	24.6	Very low	103 Å²	103	140.8 Å²	140.8	67%	0.669	77%	0.771	S	S	*	*			trans	-68.3	109.9	171.8	28.1	-31.4	0	0	0	109.8	H269	P267-H269 PolarHBondContact O-N 3.23Å
268	I	25.6	Very low	24.4	Very low	146 Å²	146	136.8 Å²	136.8	75%	0.749	77%	0.767	S	S	*	*			trans	-65.6	103.1	171.6	-60.7	172.1	0	0	0	107.4	N266 L270	N266-I268 PolarHBondContact O-N 2.85Å; N266-I268 VanDerWaalsContact O-N 3.11Å; I268-L270 VanDerWaalsContact C-N 3.29Å; I268-L270 HydrophobicContact CG2-CD1 4.31Å; I268-L270 HydrophobicContact CG2-CG 4.06Å; I268-L270 PolarHBondContact O-N 2.59Å
269	H	23.7	Very low	24.4	Very low	180 Å²	180	137.4 Å²	137.4	83%	0.833	76%	0.764	S	S	*	*			trans	-65.1	83.5	170	-79.7	-82.9	0	0	0	110.5	P267 A271	P267-H269 PolarHBondContact O-N 3.23Å; H269-A271 PolarHBondContact O-N 2.84Å; H269-A271 VanDerWaalsContact O-N 3.14Å
270	L	23.7	Very low	24.2	Very low	142 Å²	142	134.1 Å²	134.1	74%	0.743	75%	0.747	S	S	*	*			trans	-79.2	89.3	167.3	-85.2	157.2	0	0	0	109	I268 T272	I268-L270 VanDerWaalsContact C-N 3.29Å; I268-L270 HydrophobicContact CG2-CD1 4.31Å; I268-L270 HydrophobicContact CG2-CG 4.06Å; I268-L270 PolarHBondContact O-N 2.59Å; L270-T272 PolarHBondContact O-N 3.02Å; L270-T272 VanDerWaalsContact O-N 3.11Å
271	A	22.6	Very low	24.1	Very low	93 Å²	93	134 Å²	134	77%	0.769	74%	0.744	S	S	*	*			trans	-71.4	97.1	168.6	0	0	0	0	0	109.5	H269 K273	H269-A271 PolarHBondContact O-N 2.84Å; H269-A271 VanDerWaalsContact O-N 3.14Å; A271-K273 PolarHBondContact O-N 3.04Å; A271-K273 VanDerWaalsContact O-N 3.15Å
272	T	24.6	Very low	24.2	Very low	136 Å²	136	137.1 Å²	137.1	83%	0.834	75%	0.747	S	S	*	*			trans	-65	104.8	172.7	14.7	0	0	0	0	109.9	L270 E274	L270-T272 PolarHBondContact O-N 3.02Å; L270-T272 VanDerWaalsContact O-N 3.11Å; T272-E274 PolarHBondContact O-N 2.83Å
273	K	20.4	Very low	24.4	Very low	191 Å²	191	133.9 Å²	133.9	83%	0.83	74%	0.742	S	S	*	*			trans	-70.5	115.6	168.1	-76.5	-177.7	175.3	-179.9	0	109.1	A271 I275	A271-K273 PolarHBondContact O-N 3.04Å; A271-K273 VanDerWaalsContact O-N 3.15Å; K273-I275 PolarHBondContact O-N 3.26Å
274	E	21.2	Very low	24.4	Very low	179 Å²	179	135 Å²	135	84%	0.836	74%	0.739	S	S	*	*			trans	-59	121.6	164.8	-77.9	-179.9	138.2	0	0	109.8	T272	T272-E274 PolarHBondContact O-N 2.83Å
275	I	20.9	Very low	24.5	Very low	128 Å²	128	135 Å²	135	66%	0.656	73%	0.734	S	S	*	*			trans	-105.9	91	168	-58.3	176.8	0	0	0	106.7	K273 I277	K273-I275 PolarHBondContact O-N 3.26Å; I275-I277 HydrophobicContact CG2-CG1 4.13Å; I275-I277 PolarHBondContact O-N 2.69Å
276	V	22.1	Very low	24.4	Very low	120 Å²	120	132.5 Å²	132.5	73%	0.727	73%	0.731	S	S	*	*			trans	-80.8	105.1	170.6	-177.9	0	0	0	0	107.7	A278	V276-A278 PolarHBondContact O-N 3.09Å; V276-A278 VanDerWaalsContact O-N 3.07Å
277	I	22.1	Very low	24.5	Very low	130 Å²	130	129.3 Å²	129.3	67%	0.667	71%	0.714	S	S	*	*			trans	-79.2	90	172.5	-55.6	177.3	0	0	0	107.7	I275 K279	I275-I277 HydrophobicContact CG2-CG1 4.13Å; I275-I277 PolarHBondContact O-N 2.69Å; I277-K279 PolarHBondContact O-N 3.17Å
278	A	21.2	Very low	24.5	Very low	87 Å²	87	130.1 Å²	130.1	72%	0.719	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-63.6	117.4	167.9	0	0	0	0	0	109.1	V276 N280	V276-A278 PolarHBondContact O-N 3.09Å; V276-A278 VanDerWaalsContact O-N 3.07Å; A278-N280 PolarHBondContact O-N 2.93Å
279	K	24.8	Very low	24.6	Very low	149 Å²	149	129.3 Å²	129.3	65%	0.648	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-65.3	127.1	171	-100.7	-177.6	174.4	178.4	0	109	I277 P281	I277-K279 PolarHBondContact O-N 3.17Å; K279-P281 WeakPolarHBondContact O-CD 3.3Å
280	N	23.5	Very low	24.8	Very low	106 Å²	106	127.6 Å²	127.6	57%	0.567	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-54.9	118.5	177.3	-168.4	3.9	0	0	0	110.6	A278 E282	A278-N280 PolarHBondContact O-N 2.93Å; N280-E282 PolarHBondContact ND2-OE2 3.33Å; N280-E282 VanDerWaalsContact ND2-OE2 3.08Å; N280-E282 PolarHBondContact O-N 3.16Å; N280-E282 WeakPolarHBondContact OD1-CG 3.41Å; N280-E282 PolarHBondContact OD1-N 3.33Å
281	P	27.2	Very low	25.1	Very low	86 Å²	86	128.7 Å²	128.7	56%	0.558	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-67.5	-7.5	179	25.2	-31.9	0	0	0	113.8	K279 A283 E284	K279-P281 WeakPolarHBondContact O-CD 3.3Å; P281-A283 PolarHBondContact O-N 3.41Å; P281-E284 WeakPolarHBondContact O-CB 3.44Å; P281-E284 VanDerWaalsContact O-CG 3.23Å; P281-E284 WeakPolarHBondContact O-CG 3.46Å; P281-E284 PolarHBondContact O-N 2.97Å
282	E	27.1	Very low	25.5	Very low	165 Å²	165	128 Å²	128	77%	0.771	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-66.4	0.8	179.3	-66.8	178.2	158	0	0	115.2	N280 E284	N280-E282 PolarHBondContact ND2-OE2 3.33Å; N280-E282 VanDerWaalsContact ND2-OE2 3.08Å; N280-E282 PolarHBondContact O-N 3.16Å; N280-E282 WeakPolarHBondContact OD1-CG 3.41Å; N280-E282 PolarHBondContact OD1-N 3.33Å; E282-E284 PolarHBondContact O-N 3.2Å
283	A	30.3	Very low	26.3	Very low	89 Å²	89	132.6 Å²	132.6	74%	0.736	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-79.6	11.3	161.4	0	0	0	0	0	113.2	P281 T285	P281-A283 PolarHBondContact O-N 3.41Å; A283-T285 PolarHBondContact O-N 3.22Å
284	E	27.3	Very low	27.6	Very low	157 Å²	157	126.7 Å²	126.7	73%	0.734	69%	0.686	S	S	*	*			trans	-59.9	75.9	164.7	-84.7	176.4	-167.9	0	0	110.8	P281 E282 T286	P281-E284 WeakPolarHBondContact O-CB 3.44Å; P281-E284 VanDerWaalsContact O-CG 3.23Å; P281-E284 WeakPolarHBondContact O-CG 3.46Å; P281-E284 PolarHBondContact O-N 2.97Å; E282-E284 PolarHBondContact O-N 3.2Å; E284-T286 PolarHBondContact O-N 3.03Å
285	T	27.3	Very low	29.5	Very low	117 Å²	117	124.5 Å²	124.5	72%	0.718	67%	0.67	S	S	*	*			trans	-64.8	92.6	149	48.7	0	0	0	0	106.8	A283 N287	A283-T285 PolarHBondContact O-N 3.22Å; T285-N287 VanDerWaalsContact C-N 3.29Å; T285-N287 PolarHBondContact O-N 2.89Å
286	T	25.6	Very low	31.9	Very low	130 Å²	130	119.4 Å²	119.4	80%	0.798	65%	0.646	S	S	*	*			trans	-4.2	74.9	149.1	47.4	0	0	0	0	114.9	E284	E284-T286 PolarHBondContact O-N 3.03Å
287	N	26.5	Very low	34.7	Very low	82 Å²	82	113.8 Å²	113.8	44%	0.439	61%	0.611	S	S	.	*			trans	-128.8	80.4	163.7	-89.6	-18.2	0	0	0	106.8	T285 H289	T285-N287 VanDerWaalsContact C-N 3.29Å; T285-N287 PolarHBondContact O-N 2.89Å; N287-H289 PolarHBondContact O-N 3.46Å; N287-H289 PolarHBondContact OD1-CD2 2.74Å
288	S	25.9	Very low	37.7	Very low	120 Å²	120	107.7 Å²	107.7	84%	0.839	58%	0.58	S	S	*	*			trans	-64.5	24.8	161.9	61.4	0	0	0	0	112.4	N290	S288-N290 PolarHBondContact O-N 2.59Å
289	H	28.7	Very low	40.8	Very low	129 Å²	129	103.6 Å²	103.6	60%	0.597	55%	0.546	S	S	*	.			trans	-71.5	108	169.8	-71.5	-51.4	0	0	0	105.6	N287 N291	N287-H289 PolarHBondContact O-N 3.46Å; N287-H289 PolarHBondContact OD1-CD2 2.74Å; H289-N291 PolarHBondContact O-N 3.25Å
290	N	28.3	Very low	43.8	Very low	143 Å²	143	96.6 Å²	96.6	77%	0.765	52%	0.516	S	S	*	.			trans	-10.9	119.3	155.1	-74.2	-31.2	0	0	0	109.2	S288 S292	S288-N290 PolarHBondContact O-N 2.59Å; N290-S292 PolarHBondContact O-N 3.4Å
291	N	29.6	Very low	46.9	Very low	165 Å²	165	91.7 Å²	91.7	88%	0.882	49%	0.49	S	S	*	.			trans	-55.1	74.7	158.1	-88.9	-29.9	0	0	0	106.6	H289 R293	H289-N291 PolarHBondContact O-N 3.25Å; N291-R293 PolarHBondContact O-N 2.96Å
292	S	32	Very low	49.8	Very low	79 Å²	79	89.3 Å²	89.3	55%	0.552	47%	0.472	S	S	*	.			trans	-68.6	82	163.1	56.7	0	0	0	0	101.6	N290 H294	N290-S292 PolarHBondContact O-N 3.4Å; S292-H294 PolarHBondContact O-N 2.98Å
293	R	39.4	Very low	52.1	Low	233 Å²	233	81.9 Å²	81.9	88%	0.879	44%	0.438	S	S	*	.			trans	-42.1	121.9	164	-82.8	-175.8	173.1	179.9	-2.3	104.3	N291 R295	N291-R293 PolarHBondContact O-N 2.96Å; R293-R295 PolarHBondContact O-N 3.31Å
294	H	48.3	Very low	54.1	Low	67 Å²	67	79.8 Å²	79.8	31%	0.31	43%	0.425	S	S	.	.			trans	-39.8	133.2	175.7	-78.5	-72.9	0	0	0	109.1	S37 C38 S292 S296	S37-H294 WeakPolarHBondContact CA-CE1 3.29Å; S37-H294 WeakPolarHBondContact CA-NE2 3.36Å; S37-H294 WeakPolarHBondContact CB-CE1 3.31Å; S37-H294 WeakPolarHBondContact CB-NE2 3.33Å; S37-H294 PolarHBondContact OG-CE1 3.17Å; C38-H294 PolarHBondContact N-CE1 3.14Å; C38-H294 PolarHBondContact N-NE2 3.1Å; S292-H294 PolarHBondContact O-N 2.98Å; H294-S296 PolarHBondContact O-N 3Å
295	R	61.8	Low	56.1	Low	132 Å²	132	73.6 Å²	73.6	50%	0.498	40%	0.396	S	S	.	.			trans	-69.9	84.7	170.8	-165.9	175.9	-170.4	-178.5	-2.9	106.9	I43 R293 F360	I43-R295 WeakPolarHBondContact CG2-O 3.41Å; R293-R295 PolarHBondContact O-N 3.31Å; R295-F360 WeakPolarHBondContact CD-O 3.25Å; R295-F360 PolarHBondContact NE-O 2.78Å; R295-F360 VanDerWaalsContact NE-O 3.09Å; R295-F360 PolarHBondContact NH1-O 2.68Å; R295-F360 PolarHBondContact NH2-O 2.83Å
296	S	71.8	Confident	57.7	Low	22 Å²	22	71.9 Å²	71.9	15%	0.154	39%	0.389	C	S	.	.			trans	-91	144.3	170.7	63.1	0	0	0	0	109.4	P44 H294 N340	P44-S296 CarbonylContact O-C 3.4Å; P44-S296 VanDerWaalsContact O-CA 3.31Å; P44-S296 WeakPolarHBondContact O-CA 3.38Å; H294-S296 PolarHBondContact O-N 3Å; S296-N340 WeakPolarHBondContact O-CB 3.16Å
297	V	79.1	Confident	59	Low	1 Å²	1	68 Å²	68	1%	0.006	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.7	170.2	-175.9	0	0	0	0	107.8	I43 P44 V45 N46 N340 I342 F360	I43-V297 HydrophobicContact CG2-CG2 4.43Å; P44-V297 PolarHBondContact O-N 2.88Å; V45-V297 CarbonylContact C-O 3.44Å; V45-V297 VanDerWaalsContact CA-O 3.25Å; V45-V297 WeakPolarHBondContact CA-O 3.42Å; N46-V297 PolarHBondContact N-O 3.36Å; V297-N340 CarbonylContact C-O 3.51Å; V297-N340 VanDerWaalsContact CA-O 3.29Å; V297-N340 WeakPolarHBondContact CA-O 3.39Å; V297-I342 HydrophobicContact CG1-CD1 3.66Å; V297-I342 HydrophobicContact CG1-CG1 3.96Å; V297-F360 HydrophobicContact CG1-CD2 3.99Å; V297-F360 HydrophobicContact CG1-CE2 4.09Å; V297-F360 HydrophobicContact CG1-CG 4.36Å; V297-F360 HydrophobicContact CG1-CZ 4.5Å; V297-F360 HydrophobicContact CG2-CB 3.55Å; V297-F360 HydrophobicContact CG2-CD1 3.58Å; V297-F360 HydrophobicContact CG2-CD2 3.85Å; V297-F360 HydrophobicContact CG2-CE1 4.21Å; V297-F360 HydrophobicContact CG2-CE2 4.49Å; V297-F360 HydrophobicContact CG2-CG 3.36Å
298	T	85.1	Confident	60.3	Low	3 Å²	3	67.8 Å²	67.8	2%	0.018	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.6	170.4	-58.4	0	0	0	0	108.3	N46 L48 I300 Q334 N340 T341 I342	N46-T298 CarbonylContact O-C 3.58Å; N46-T298 WeakPolarHBondContact O-CA 3.5Å; L48-T298 HydrophobicContact CD1-CG2 3.56Å; L48-T298 HydrophobicContact CG-CG2 4.31Å; T298-I300 HydrophobicContact CG2-CG1 4.04Å; T298-Q334 HydrophobicContact CG2-CB 4.29Å; T298-Q334 HydrophobicContact CG2-CG 4.28Å; T298-Q334 PolarHBondContact OG1-OE1 3.37Å; T298-Q334 VanDerWaalsContact OG1-OE1 3.06Å; T298-N340 PolarHBondContact N-O 3.18Å; T298-T341 CarbonylContact O-C 3.55Å; T298-T341 WeakPolarHBondContact O-CA 3.19Å; T298-I342 PolarHBondContact O-N 3.09Å
299	L	86.8	Confident	61.6	Low	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	106.7	172.8	173.6	57.4	0	0	0	109.1	V45 N46 V47 L48 L67 I301 I342 L353	V45-L299 HydrophobicContact CG1-CB 4.15Å; N46-L299 PolarHBondContact O-N 3.07Å; V47-L299 CarbonylContact C-O 3.37Å; V47-L299 WeakPolarHBondContact CA-O 3.35Å; V47-L299 HydrophobicContact CG1-CD2 4.49Å; V47-L299 HydrophobicContact CG2-CB 4.43Å; V47-L299 HydrophobicContact CG2-CD2 4.35Å; L48-L299 PolarHBondContact N-O 2.84Å; L67-L299 HydrophobicContact CD2-CD2 3.42Å; L67-L299 VanDerWaalsContact CD2-CD2 3.42Å; L299-I301 HydrophobicContact CD1-CG1 4.44Å; L299-I301 HydrophobicContact CD2-CD1 4.3Å; L299-I301 HydrophobicContact CD2-CG1 4.38Å; L299-I301 HydrophobicContact CG-CD1 4.43Å; L299-I301 HydrophobicContact CG-CG1 4.02Å; L299-I342 CarbonylContact C-O 3.55Å; L299-I342 WeakPolarHBondContact CA-O 3.29Å; L299-I342 HydrophobicContact CD1-CB 4.13Å; L299-I342 HydrophobicContact CD1-CG2 4.04Å; L299-L353 HydrophobicContact CD1-CD1 3.48Å; L299-L353 VanDerWaalsContact CD1-CD1 3.48Å; L299-L353 HydrophobicContact CD1-CD2 4.43Å; L299-L353 HydrophobicContact CD2-CD1 4.26Å; L299-L353 HydrophobicContact CD2-CD2 4.39Å
300	I	89.1	Confident	62.7	Low	3 Å²	3	59.7 Å²	59.7	2%	0.015	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.6	175	-58.9	169.3	0	0	0	108.4	L48 N50 T298 V331 Q334 L335 T341 I342 V343 Y344	L48-I300 CarbonylContact O-C 3.59Å; L48-I300 VanDerWaalsContact O-CA 3.29Å; L48-I300 WeakPolarHBondContact O-CA 3.47Å; N50-I300 HydrophobicContact CB-CG2 4.04Å; T298-I300 HydrophobicContact CG2-CG1 4.04Å; I300-V331 HydrophobicContact CD1-CG1 4.17Å; I300-V331 HydrophobicContact CG2-CG1 4.26Å; I300-Q334 HydrophobicContact CD1-CB 4.11Å; I300-L335 HydrophobicContact CD1-CD2 3.66Å; I300-L335 HydrophobicContact CD1-CG 3.82Å; I300-T341 HydrophobicContact CD1-CG2 3.51Å; I300-T341 HydrophobicContact CG1-CG2 4.1Å; I300-I342 PolarHBondContact N-O 2.9Å; I300-V343 CarbonylContact O-C 3.58Å; I300-V343 WeakPolarHBondContact O-CA 3.01Å; I300-Y344 PolarHBondContact O-N 2.65Å
301	I	87.3	Confident	64	Low	2 Å²	2	57.8 Å²	57.8	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117	179.1	-57.8	177.6	0	0	0	109.1	V47 L48 P49 N50 L60 I64 L299 Y344 I346	V47-I301 HydrophobicContact CG1-CD1 3.56Å; V47-I301 HydrophobicContact CG1-CG1 4.23Å; L48-I301 PolarHBondContact O-N 3.26Å; P49-I301 WeakPolarHBondContact CA-O 3.46Å; N50-I301 PolarHBondContact N-O 3.45Å; N50-I301 PolarHBondContact OD1-O 2.78Å; L60-I301 HydrophobicContact CD1-CB 3.56Å; L60-I301 HydrophobicContact CD1-CD1 3.62Å; L60-I301 HydrophobicContact CD1-CG1 4.14Å; L60-I301 HydrophobicContact CD1-CG2 3.46Å; L60-I301 VanDerWaalsContact CD1-CG2 3.46Å; I64-I301 HydrophobicContact CD1-CD1 4.09Å; I64-I301 HydrophobicContact CG1-CD1 3.5Å; L299-I301 HydrophobicContact CD1-CG1 4.44Å; L299-I301 HydrophobicContact CD2-CD1 4.3Å; L299-I301 HydrophobicContact CD2-CG1 4.38Å; L299-I301 HydrophobicContact CG-CD1 4.43Å; L299-I301 HydrophobicContact CG-CG1 4.02Å; I301-Y344 CarbonylContact C-O 3.58Å; I301-Y344 WeakPolarHBondContact CA-O 3.34Å; I301-Y344 HydrophobicContact CG1-CD1 4.49Å; I301-Y344 HydrophobicContact CG2-CD1 4.18Å; I301-I346 HydrophobicContact CG2-CD1 3.98Å; I301-I346 HydrophobicContact CG2-CG1 3.7Å
302	D	88	Confident	65.2	Low	37 Å²	37	57.9 Å²	57.9	20%	0.198	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.5	169.7	177.8	13.5	0	0	0	110	N50 G304 Y344 K345 I346	N50-D302 VanDerWaalsContact ND2-CG 3.33Å; N50-D302 PolarHBondContact ND2-OD1 2.75Å; D302-G304 PolarHBondContact O-N 3.36Å; D302-G304 WeakPolarHBondContact OD1-CA 3.49Å; D302-G304 PolarHBondContact OD1-N 2.97Å; D302-Y344 PolarHBondContact N-O 3.1Å; D302-K345 HydrophobicContact CB-CB 4.42Å; D302-K345 HydrophobicContact CB-CG 4.29Å; D302-I346 WeakPolarHBondContact O-CG1 3.18Å; D302-I346 PolarHBondContact O-N 2.8Å
303	T	75.6	Confident	66.3	Low	9 Å²	9	55 Å²	55	6%	0.055	28%	0.28	C	S	.	.			trans	-74	-11	178.5	60.7	0	0	0	0	113.5	L60 E305 I346	L60-T303 HydrophobicContact CB-CG2 4.17Å; L60-T303 HydrophobicContact CD2-CG2 4.36Å; T303-E305 VanDerWaalsContact C-N 3.26Å; T303-E305 PolarHBondContact O-N 2.78Å; T303-I346 HydrophobicContact CG2-CD1 4.31Å
304	G	73.2	Confident	67.1	Low	45 Å²	45	44.7 Å²	44.7	46%	0.464	24%	0.242	S	C	.	.			trans	72.4	14.9	-176.9	0	0	0	0	0	113.9	D302	D302-G304 PolarHBondContact O-N 3.36Å; D302-G304 WeakPolarHBondContact OD1-CA 3.49Å; D302-G304 PolarHBondContact OD1-N 2.97Å
305	E	69.3	Low	67.4	Low	26 Å²	26	48 Å²	48	12%	0.121	26%	0.262	C	S	.	.			trans	-75.3	126.7	175.3	-68.5	-168.5	141.7	0	0	111.3	K51 T54 A55 K56 T303	K51-E305 PolarHBondContact NZ-O 3.27Å; T54-E305 VanDerWaalsContact CA-OE2 3.25Å; T54-E305 WeakPolarHBondContact CA-OE2 3.44Å; T54-E305 WeakPolarHBondContact CB-OE2 3.3Å; T54-E305 PolarHBondContact OG1-OE2 2.85Å; A55-E305 PolarHBondContact N-OE1 3.11Å; A55-E305 PolarHBondContact N-OE2 2.81Å; K56-E305 VanDerWaalsContact CB-OE1 3.31Å; K56-E305 WeakPolarHBondContact CB-OE1 3.3Å; K56-E305 HydrophobicContact CD-CG 4.17Å; K56-E305 WeakPolarHBondContact CD-OE1 3.08Å; K56-E305 WeakPolarHBondContact CE-OE1 3.39Å; K56-E305 WeakPolarHBondContact CG-OE1 3.21Å; K56-E305 PolarHBondContact N-OE1 3.46Å; K56-E305 IonicContact NZ-OE1 3.73Å; T303-E305 VanDerWaalsContact C-N 3.26Å; T303-E305 PolarHBondContact O-N 2.78Å
306	S	59.5	Low	67.2	Low	82 Å²	82	47 Å²	47	57%	0.573	27%	0.27	S	S	*	.			trans	-70.9	150.6	169.7	52.9	0	0	0	0	111.1	T308	S306-T308 PolarHBondContact O-N 2.97Å
307	C	53.7	Low	66.9	Low	47 Å²	47	48.6 Å²	48.6	32%	0.318	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-6.7	-174.8	-158.1	0	0	0	0	115.4	V309 E310 E311	C307-V309 VanDerWaalsContact C-N 3.33Å; C307-V309 PolarHBondContact O-N 2.83Å; C307-E310 WeakPolarHBondContact CA-OE2 3.5Å; C307-E310 WeakPolarHBondContact O-CB 3.46Å; C307-E310 PolarHBondContact O-N 2.84Å; C307-E310 VanDerWaalsContact O-N 3.12Å; C307-E311 HydrophobicContact CB-CG 4.46Å; C307-E311 WeakPolarHBondContact O-CG 3.44Å; C307-E311 PolarHBondContact O-N 3.27Å; C307-E311 PolarHBondContact SG-OE1 3.15Å
308	T	53.8	Low	66.4	Low	78 Å²	78	53 Å²	53	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-67.8	-29.3	-164.8	53.9	0	0	0	0	114.3	S306 K312	S306-T308 PolarHBondContact O-N 2.97Å; T308-K312 PolarHBondContact O-N 2.93Å
309	V	52.6	Low	65.3	Low	67 Å²	67	55.9 Å²	55.9	41%	0.406	32%	0.319	S	S	.	.	H	α-helix	trans	-76.2	-40.6	174.8	-179.1	0	0	0	0	110.4	C307 L313	C307-V309 VanDerWaalsContact C-N 3.33Å; C307-V309 PolarHBondContact O-N 2.83Å; V309-L313 WeakPolarHBondContact O-CB 3.41Å; V309-L313 PolarHBondContact O-N 3.39Å
310	E	52.5	Low	64.4	Low	12 Å²	12	57 Å²	57	6%	0.056	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-48.8	176.1	-67.3	156	161.7	0	0	110.2	K51 C307 K312 L313 M314	K51-E310 WeakPolarHBondContact CD-OE1 3.47Å; K51-E310 WeakPolarHBondContact CE-OE1 3.47Å; K51-E310 WeakPolarHBondContact CE-OE2 3.27Å; K51-E310 WeakPolarHBondContact CG-OE1 3.41Å; K51-E310 VanDerWaalsContact NZ-CD 3.32Å; K51-E310 IonicContact NZ-OE1 2.63Å; K51-E310 PolarHBondContact NZ-OE1 3.07Å; K51-E310 IonicContact NZ-OE2 3.95Å; K51-E310 PolarHBondContact NZ-OE2 2.82Å; C307-E310 WeakPolarHBondContact CA-OE2 3.5Å; C307-E310 WeakPolarHBondContact O-CB 3.46Å; C307-E310 PolarHBondContact O-N 2.84Å; C307-E310 VanDerWaalsContact O-N 3.12Å; E310-K312 PolarHBondContact O-N 3.23Å; E310-L313 PolarHBondContact O-N 3Å; E310-M314 HydrophobicContact CB-CE 3.89Å; E310-M314 HydrophobicContact CB-SD 4.36Å; E310-M314 WeakPolarHBondContact O-CB 3.1Å; E310-M314 WeakPolarHBondContact O-CG 3.44Å; E310-M314 PolarHBondContact O-N 3.25Å
311	E	54.6	Low	63.7	Low	104 Å²	104	62 Å²	62	49%	0.486	34%	0.344	S	S	.	.	H	α-helix	trans	-58.5	-51	-178.4	-79.1	168.2	-176.2	0	0	113.1	C307 L313 N315	C307-E311 HydrophobicContact CB-CG 4.46Å; C307-E311 WeakPolarHBondContact O-CG 3.44Å; C307-E311 PolarHBondContact O-N 3.27Å; C307-E311 PolarHBondContact SG-OE1 3.15Å; E311-L313 PolarHBondContact O-N 3.47Å; E311-L313 VanDerWaalsContact O-N 3.14Å; E311-N315 PolarHBondContact O-N 3.43Å; E311-N315 PolarHBondContact O-ND2 3.17Å; E311-N315 PolarHBondContact O-OD1 3.46Å
312	K	56.4	Low	63	Low	167 Å²	167	62.9 Å²	62.9	73%	0.726	35%	0.348	S	S	*	.	H	α-helix	trans	-59.1	-31.1	-178.3	-78.9	-175	177.7	-177.7	0	112.5	T308 E310	T308-K312 PolarHBondContact O-N 2.93Å; E310-K312 PolarHBondContact O-N 3.23Å
313	L	54.1	Low	62.2	Low	19 Å²	19	61.2 Å²	61.2	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-95.9	-39.6	-172.3	-147.7	90.8	0	0	0	113.7	I179 M181 V309 E310 E311 N315 T316 N317 L320	I179-L313 HydrophobicContact CB-CD1 3.78Å; I179-L313 HydrophobicContact CD1-CD1 3.39Å; I179-L313 HydrophobicContact CD1-CD2 3.65Å; I179-L313 HydrophobicContact CD1-CG 3.9Å; I179-L313 HydrophobicContact CG1-CD1 3.42Å; I179-L313 VanDerWaalsContact CG1-CD1 3.42Å; I179-L313 HydrophobicContact CG1-CD2 4.44Å; I179-L313 HydrophobicContact CG1-CG 4.43Å; I179-L313 HydrophobicContact CG2-CD1 3.57Å; M181-L313 HydrophobicContact CE-CD2 3.53Å; M181-L313 HydrophobicContact SD-CD2 3.95Å; V309-L313 WeakPolarHBondContact O-CB 3.41Å; V309-L313 PolarHBondContact O-N 3.39Å; E310-L313 PolarHBondContact O-N 3Å; E311-L313 PolarHBondContact O-N 3.47Å; E311-L313 VanDerWaalsContact O-N 3.14Å; L313-N315 PolarHBondContact O-N 3.37Å; L313-N315 VanDerWaalsContact O-N 3.17Å; L313-T316 PolarHBondContact O-N 2.94Å; L313-T316 PolarHBondContact O-OG1 2.88Å; L313-N317 PolarHBondContact O-N 3.39Å; L313-L320 HydrophobicContact CD2-CD1 4.42Å
314	M	55.7	Low	62.3	Low	16 Å²	16	60.9 Å²	60.9	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-24.3	174.8	-72.2	-162.8	-47.2	0	0	111.2	E310 T316 Y321 S324	E310-M314 HydrophobicContact CB-CE 3.89Å; E310-M314 HydrophobicContact CB-SD 4.36Å; E310-M314 WeakPolarHBondContact O-CB 3.1Å; E310-M314 WeakPolarHBondContact O-CG 3.44Å; E310-M314 PolarHBondContact O-N 3.25Å; M314-T316 VanDerWaalsContact C-N 3.27Å; M314-T316 PolarHBondContact O-N 3.21Å; M314-Y321 HydrophobicContact CB-CD2 3.49Å; M314-Y321 VanDerWaalsContact CB-CD2 3.49Å; M314-Y321 HydrophobicContact CB-CG 4.03Å; M314-Y321 HydrophobicContact CE-CD2 3.39Å; M314-Y321 HydrophobicContact CE-CE2 3.69Å; M314-Y321 HydrophobicContact CG-CD2 3.96Å; M314-Y321 VanDerWaalsContact SD-CA 3.53Å; M314-Y321 HydrophobicContact SD-CD2 3.57Å; M314-Y321 VanDerWaalsContact SD-CD2 3.57Å; M314-Y321 HydrophobicContact SD-CE2 4.43Å; M314-Y321 HydrophobicContact SD-CG 4.33Å; M314-S324 WeakPolarHBondContact SD-CB 3.1Å
315	N	55.3	Low	62.6	Low	137 Å²	137	62.3 Å²	62.3	73%	0.733	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.1	169.5	-69	-15.2	0	0	0	114.5	E311 L313	E311-N315 PolarHBondContact O-N 3.43Å; E311-N315 PolarHBondContact O-ND2 3.17Å; E311-N315 PolarHBondContact O-OD1 3.46Å; L313-N315 PolarHBondContact O-N 3.37Å; L313-N315 VanDerWaalsContact O-N 3.17Å
316	T	58.4	Low	63.1	Low	111 Å²	111	61.1 Å²	61.1	68%	0.681	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-17.3	179.5	64.1	0	0	0	0	113.8	L313 M314	L313-T316 PolarHBondContact O-N 2.94Å; L313-T316 PolarHBondContact O-OG1 2.88Å; M314-T316 VanDerWaalsContact C-N 3.27Å; M314-T316 PolarHBondContact O-N 3.21Å
317	N	65	Low	64.2	Low	55 Å²	55	57.3 Å²	57.3	29%	0.294	30%	0.298	S	S	.	.			trans	-134.2	100.2	176.6	-168.2	-39.6	0	0	0	110.9	L313 E319 L320 Y321	L313-N317 PolarHBondContact O-N 3.39Å; N317-E319 PolarHBondContact O-N 2.81Å; N317-E319 WeakPolarHBondContact OD1-CB 3.14Å; N317-E319 PolarHBondContact OD1-N 3.34Å; N317-E319 VanDerWaalsContact OD1-N 3.11Å; N317-L320 HydrophobicContact CB-CB 4.14Å; N317-L320 HydrophobicContact CB-CD1 3.9Å; N317-L320 HydrophobicContact CB-CG 3.98Å; N317-L320 PolarHBondContact O-N 3.41Å; N317-L320 PolarHBondContact OD1-N 3.44Å; N317-Y321 PolarHBondContact O-N 3.44Å; N317-Y321 VanDerWaalsContact O-N 3.11Å
318	P	67.5	Low	65.6	Low	92 Å²	92	58.6 Å²	58.6	60%	0.597	30%	0.299	S	S	*	.	H	α-helix	trans	-62.3	-29.4	-176.9	24.7	-33.6	0	0	0	112.6	Y321 K322	P318-Y321 WeakPolarHBondContact O-CB 3.01Å; P318-Y321 PolarHBondContact O-N 2.9Å; P318-K322 VanDerWaalsContact O-CB 3.32Å; P318-K322 WeakPolarHBondContact O-CB 3.23Å; P318-K322 PolarHBondContact O-N 3.35Å
319	E	64	Low	67.1	Low	64 Å²	64	57.8 Å²	57.8	30%	0.299	30%	0.297	S	S	.	.	H	α-helix	trans	-70.4	-42.6	178.1	-62.1	-61.4	137.3	0	0	111.5	P120 N317 Y321 K322 L323	P120-E319 HydrophobicContact CB-CB 3.69Å; P120-E319 HydrophobicContact CB-CG 4.21Å; P120-E319 HydrophobicContact CG-CB 3.58Å; P120-E319 HydrophobicContact CG-CG 3.74Å; N317-E319 PolarHBondContact O-N 2.81Å; N317-E319 WeakPolarHBondContact OD1-CB 3.14Å; N317-E319 PolarHBondContact OD1-N 3.34Å; N317-E319 VanDerWaalsContact OD1-N 3.11Å; E319-Y321 VanDerWaalsContact C-N 3.29Å; E319-Y321 PolarHBondContact O-N 2.86Å; E319-K322 WeakPolarHBondContact O-CB 3.19Å; E319-K322 PolarHBondContact O-N 2.95Å; E319-L323 VanDerWaalsContact O-CD1 3.25Å; E319-L323 WeakPolarHBondContact O-CD1 3.13Å; E319-L323 WeakPolarHBondContact O-CG 3.19Å; E319-L323 PolarHBondContact O-N 3.42Å
320	L	67.7	Low	68.6	Low	25 Å²	25	54.7 Å²	54.7	13%	0.131	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-38.8	174	-64.3	-179.7	0	0	0	111.3	F53 V176 M181 L313 N317 K322 L323 S324	F53-L320 HydrophobicContact CE1-CD2 4.07Å; F53-L320 HydrophobicContact CE2-CB 4.4Å; F53-L320 WeakPolarHBondContact CE2-O 3.48Å; F53-L320 HydrophobicContact CZ-CB 4.17Å; F53-L320 HydrophobicContact CZ-CD2 3.65Å; F53-L320 HydrophobicContact CZ-CG 4.43Å; V176-L320 HydrophobicContact CG1-CD1 4.48Å; M181-L320 HydrophobicContact CE-CD1 4.47Å; L313-L320 HydrophobicContact CD2-CD1 4.42Å; N317-L320 HydrophobicContact CB-CB 4.14Å; N317-L320 HydrophobicContact CB-CD1 3.9Å; N317-L320 HydrophobicContact CB-CG 3.98Å; N317-L320 PolarHBondContact O-N 3.41Å; N317-L320 PolarHBondContact OD1-N 3.44Å; L320-K322 VanDerWaalsContact C-N 3.33Å; L320-K322 PolarHBondContact O-N 3.09Å; L320-L323 HydrophobicContact CD2-CD1 4.22Å; L320-L323 PolarHBondContact O-N 3.15Å; L320-S324 PolarHBondContact O-N 2.92Å
321	Y	73.6	Confident	70.2	Confident	108 Å²	108	54.7 Å²	54.7	42%	0.424	28%	0.279	S	S	.	.	H	α-helix	trans	-55.4	-52	172.4	-178.2	-113.1	0	0	0	111.8	M314 N317 P318 E319 L323 S324 K325	M314-Y321 HydrophobicContact CB-CD2 3.49Å; M314-Y321 VanDerWaalsContact CB-CD2 3.49Å; M314-Y321 HydrophobicContact CB-CG 4.03Å; M314-Y321 HydrophobicContact CE-CD2 3.39Å; M314-Y321 HydrophobicContact CE-CE2 3.69Å; M314-Y321 HydrophobicContact CG-CD2 3.96Å; M314-Y321 VanDerWaalsContact SD-CA 3.53Å; M314-Y321 HydrophobicContact SD-CD2 3.57Å; M314-Y321 VanDerWaalsContact SD-CD2 3.57Å; M314-Y321 HydrophobicContact SD-CE2 4.43Å; M314-Y321 HydrophobicContact SD-CG 4.33Å; N317-Y321 PolarHBondContact O-N 3.44Å; N317-Y321 VanDerWaalsContact O-N 3.11Å; P318-Y321 WeakPolarHBondContact O-CB 3.01Å; P318-Y321 PolarHBondContact O-N 2.9Å; E319-Y321 VanDerWaalsContact C-N 3.29Å; E319-Y321 PolarHBondContact O-N 2.86Å; Y321-L323 VanDerWaalsContact C-N 3.3Å; Y321-L323 PolarHBondContact O-N 2.87Å; Y321-S324 WeakPolarHBondContact O-CB 2.85Å; Y321-S324 PolarHBondContact O-N 2.95Å; Y321-K325 HydrophobicContact CD1-CG 4.38Å; Y321-K325 HydrophobicContact CE1-CG 3.98Å; Y321-K325 HydrophobicContact CE2-CD 4.49Å; Y321-K325 HydrophobicContact CE2-CG 4.31Å; Y321-K325 PolarHBondContact O-N 3.46Å; Y321-K325 WeakPolarHBondContact OH-CE 3.43Å
322	K	72	Confident	71.8	Confident	20 Å²	20	51.9 Å²	51.9	9%	0.087	27%	0.273	C	S	.	.	H	α-helix	trans	-57.9	-44.4	-179.3	-163.6	177.6	170.5	165.6	0	111.1	W199 L202 E206 P318 E319 L320 S324 K325 V326	W199-K322 HydrophobicContact CH2-CB 3.63Å; W199-K322 HydrophobicContact CH2-CD 3.37Å; W199-K322 HydrophobicContact CH2-CG 3.34Å; W199-K322 HydrophobicContact CZ2-CD 3.86Å; W199-K322 HydrophobicContact CZ2-CG 4.27Å; W199-K322 VanDerWaalsContact CZ3-C 3.45Å; W199-K322 HydrophobicContact CZ3-CB 3.87Å; W199-K322 HydrophobicContact CZ3-CD 4.02Å; W199-K322 HydrophobicContact CZ3-CG 3.51Å; L202-K322 HydrophobicContact CD2-CD 3.97Å; L202-K322 HydrophobicContact CD2-CG 3.31Å; E206-K322 IonicContact OE1-NZ 2.61Å; E206-K322 WeakPolarHBondContact OE2-CE 2.88Å; E206-K322 IonicContact OE2-NZ 2.64Å; E206-K322 PolarHBondContact OE2-NZ 3.2Å; P318-K322 VanDerWaalsContact O-CB 3.32Å; P318-K322 WeakPolarHBondContact O-CB 3.23Å; P318-K322 PolarHBondContact O-N 3.35Å; E319-K322 WeakPolarHBondContact O-CB 3.19Å; E319-K322 PolarHBondContact O-N 2.95Å; L320-K322 VanDerWaalsContact C-N 3.33Å; L320-K322 PolarHBondContact O-N 3.09Å; K322-S324 VanDerWaalsContact C-N 3.32Å; K322-S324 PolarHBondContact O-N 3.3Å; K322-K325 WeakPolarHBondContact O-CB 3.26Å; K322-K325 PolarHBondContact O-N 2.7Å; K322-K325 VanDerWaalsContact O-N 3.14Å; K322-V326 WeakPolarHBondContact O-CG2 3.4Å; K322-V326 PolarHBondContact O-N 2.81Å
323	L	72.7	Confident	73	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-37	-179.2	-66.7	156.2	0	0	0	112.1	P120 I124 Y195 W199 E319 L320 Y321 V326 W327	P120-L323 HydrophobicContact CB-CD1 4.4Å; I124-L323 HydrophobicContact CD1-CD1 3.06Å; I124-L323 HydrophobicContact CD1-CD2 3.45Å; I124-L323 VanDerWaalsContact CD1-CD2 3.45Å; I124-L323 HydrophobicContact CD1-CG 3.8Å; Y195-L323 WeakPolarHBondContact OH-CD2 3.49Å; W199-L323 HydrophobicContact CD2-CD2 4.25Å; W199-L323 HydrophobicContact CE3-CD2 3.64Å; W199-L323 HydrophobicContact CE3-CG 4.37Å; W199-L323 HydrophobicContact CH2-CD2 3.56Å; W199-L323 HydrophobicContact CH2-CG 3.7Å; W199-L323 HydrophobicContact CZ2-CD2 4.15Å; W199-L323 HydrophobicContact CZ3-CB 4.16Å; W199-L323 HydrophobicContact CZ3-CD2 3.32Å; W199-L323 HydrophobicContact CZ3-CG 3.59Å; E319-L323 VanDerWaalsContact O-CD1 3.25Å; E319-L323 WeakPolarHBondContact O-CD1 3.13Å; E319-L323 WeakPolarHBondContact O-CG 3.19Å; E319-L323 PolarHBondContact O-N 3.42Å; L320-L323 HydrophobicContact CD2-CD1 4.22Å; L320-L323 PolarHBondContact O-N 3.15Å; Y321-L323 VanDerWaalsContact C-N 3.3Å; Y321-L323 PolarHBondContact O-N 2.87Å; L323-V326 PolarHBondContact O-N 3.13Å; L323-W327 PolarHBondContact O-N 2.86Å
324	S	77.7	Confident	74.5	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-45.3	172.1	-163.6	0	0	0	0	111.2	M314 L320 Y321 K322 V326 W327 E328	M314-S324 WeakPolarHBondContact SD-CB 3.1Å; L320-S324 PolarHBondContact O-N 2.92Å; Y321-S324 WeakPolarHBondContact O-CB 2.85Å; Y321-S324 PolarHBondContact O-N 2.95Å; K322-S324 VanDerWaalsContact C-N 3.32Å; K322-S324 PolarHBondContact O-N 3.3Å; S324-V326 VanDerWaalsContact C-N 3.32Å; S324-V326 PolarHBondContact O-N 3.27Å; S324-W327 WeakPolarHBondContact O-CB 3.14Å; S324-W327 PolarHBondContact O-N 3.47Å; S324-W327 VanDerWaalsContact O-N 3.16Å; S324-E328 WeakPolarHBondContact O-CG 3.23Å; S324-E328 PolarHBondContact O-N 3.39Å
325	K	79	Confident	75.8	Confident	74 Å²	74	51.6 Å²	51.6	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-37.5	176.7	-69.9	-49.5	-172.1	-167.1	0	113.6	Y321 K322 E328 S329	Y321-K325 HydrophobicContact CD1-CG 4.38Å; Y321-K325 HydrophobicContact CE1-CG 3.98Å; Y321-K325 HydrophobicContact CE2-CD 4.49Å; Y321-K325 HydrophobicContact CE2-CG 4.31Å; Y321-K325 PolarHBondContact O-N 3.46Å; Y321-K325 WeakPolarHBondContact OH-CE 3.43Å; K322-K325 WeakPolarHBondContact O-CB 3.26Å; K322-K325 PolarHBondContact O-N 2.7Å; K322-K325 VanDerWaalsContact O-N 3.14Å; K325-E328 WeakPolarHBondContact CD-OE2 3.28Å; K325-E328 VanDerWaalsContact NZ-CD 3.28Å; K325-E328 IonicContact NZ-OE1 3.23Å; K325-E328 PolarHBondContact NZ-OE1 2.9Å; K325-E328 IonicContact NZ-OE2 2.92Å; K325-E328 PolarHBondContact NZ-OE2 3.17Å; K325-E328 WeakPolarHBondContact O-CB 3.27Å; K325-E328 PolarHBondContact O-N 3.4Å; K325-S329 PolarHBondContact O-N 2.96Å
326	V	78.8	Confident	77.1	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-69	-39.4	174.6	171.8	0	0	0	0	111.6	Y195 A198 W199 L202 K322 L323 S324 E328 S329 V330	Y195-V326 HydrophobicContact CD2-CG1 4Å; Y195-V326 HydrophobicContact CE2-CB 4.44Å; Y195-V326 HydrophobicContact CE2-CG1 3.94Å; A198-V326 HydrophobicContact CB-CG1 3.73Å; W199-V326 HydrophobicContact CB-CG1 3.94Å; W199-V326 HydrophobicContact CD2-CG2 4.24Å; W199-V326 HydrophobicContact CE3-CB 3.7Å; W199-V326 HydrophobicContact CE3-CG1 4.05Å; W199-V326 HydrophobicContact CE3-CG2 3.3Å; W199-V326 HydrophobicContact CZ3-CB 4.28Å; W199-V326 HydrophobicContact CZ3-CG2 3.78Å; L202-V326 HydrophobicContact CB-CG2 4.13Å; L202-V326 HydrophobicContact CD2-CG2 3.4Å; L202-V326 VanDerWaalsContact CD2-CG2 3.4Å; L202-V326 HydrophobicContact CG-CG2 4.36Å; K322-V326 WeakPolarHBondContact O-CG2 3.4Å; K322-V326 PolarHBondContact O-N 2.81Å; L323-V326 PolarHBondContact O-N 3.13Å; S324-V326 VanDerWaalsContact C-N 3.32Å; S324-V326 PolarHBondContact O-N 3.27Å; V326-E328 VanDerWaalsContact C-N 3.34Å; V326-E328 PolarHBondContact O-N 3.12Å; V326-S329 WeakPolarHBondContact O-CA 3.27Å; V326-S329 WeakPolarHBondContact O-CB 3.37Å; V326-S329 PolarHBondContact O-N 3.12Å; V326-S329 VanDerWaalsContact O-N 3.12Å; V326-V330 WeakPolarHBondContact O-CG2 3.29Å; V326-V330 PolarHBondContact O-N 3.4Å
327	W	82.3	Confident	78	Confident	1 Å²	1	50.4 Å²	50.4	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-42.8	173.2	-170.6	-93.5	0	0	0	112.4	L48 P49 F52 P186 I191 Y195 L323 S324 S329 V330 V331	L48-W327 HydrophobicContact CB-CZ2 4.45Å; L48-W327 HydrophobicContact CD2-CH2 4.06Å; L48-W327 HydrophobicContact CD2-CZ2 4.16Å; P49-W327 HydrophobicContact CG-CZ2 3.91Å; P49-W327 PolarHBondContact O-NE1 2.97Å; F52-W327 HydrophobicContact CB-CB 3.64Å; F52-W327 HydrophobicContact CB-CD2 3.93Å; F52-W327 HydrophobicContact CB-CE3 4.44Å; F52-W327 HydrophobicContact CB-CG 3.56Å; F52-W327 HydrophobicContact CD2-CB 4.36Å; F52-W327 AromaticContact CD2-CD2 3.64Å; F52-W327 HydrophobicContact CD2-CD2 3.64Å; F52-W327 AromaticContact CD2-CE3 3.3Å; F52-W327 HydrophobicContact CD2-CE3 3.3Å; F52-W327 HydrophobicContact CD2-CG 4.12Å; F52-W327 HydrophobicContact CD2-CH2 4.43Å; F52-W327 AromaticContact CD2-CZ3 3.72Å; F52-W327 HydrophobicContact CD2-CZ3 3.72Å; F52-W327 AromaticContact CE2-CE3 3.89Å; F52-W327 HydrophobicContact CE2-CE3 3.89Å; F52-W327 HydrophobicContact CE2-CZ3 4.04Å; F52-W327 HydrophobicContact CG-CB 4.3Å; F52-W327 HydrophobicContact CG-CD2 4.26Å; F52-W327 HydrophobicContact CG-CE3 4.28Å; F52-W327 HydrophobicContact CG-CG 4.29Å; P186-W327 HydrophobicContact CG-CH2 4.37Å; P186-W327 HydrophobicContact CG-CZ3 3.93Å; I191-W327 HydrophobicContact CG2-CH2 4.4Å; Y195-W327 AromaticContact CD2-CE3 3.65Å; Y195-W327 HydrophobicContact CD2-CE3 3.65Å; Y195-W327 HydrophobicContact CD2-CZ3 4.2Å; Y195-W327 HydrophobicContact CE2-CB 4.41Å; Y195-W327 AromaticContact CE2-CE3 3.82Å; Y195-W327 HydrophobicContact CE2-CE3 3.82Å; L323-W327 PolarHBondContact O-N 2.86Å; S324-W327 WeakPolarHBondContact O-CB 3.14Å; S324-W327 PolarHBondContact O-N 3.47Å; S324-W327 VanDerWaalsContact O-N 3.16Å; W327-S329 PolarHBondContact O-N 2.89Å; W327-V330 PolarHBondContact O-N 3.38Å; W327-V330 VanDerWaalsContact O-N 3.13Å; W327-V331 HydrophobicContact CG-CG2 4.45Å; W327-V331 WeakPolarHBondContact O-CG2 3.4Å; W327-V331 PolarHBondContact O-N 2.98Å
328	E	85	Confident	78.2	Confident	74 Å²	74	53.2 Å²	53.2	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-54.6	-41.8	172.3	-71.4	172.7	-161.2	0	0	110.8	S324 K325 V326 V331 A332	S324-E328 WeakPolarHBondContact O-CG 3.23Å; S324-E328 PolarHBondContact O-N 3.39Å; K325-E328 WeakPolarHBondContact CD-OE2 3.28Å; K325-E328 VanDerWaalsContact NZ-CD 3.28Å; K325-E328 IonicContact NZ-OE1 3.23Å; K325-E328 PolarHBondContact NZ-OE1 2.9Å; K325-E328 IonicContact NZ-OE2 2.92Å; K325-E328 PolarHBondContact NZ-OE2 3.17Å; K325-E328 WeakPolarHBondContact O-CB 3.27Å; K325-E328 PolarHBondContact O-N 3.4Å; V326-E328 VanDerWaalsContact C-N 3.34Å; V326-E328 PolarHBondContact O-N 3.12Å; E328-V331 PolarHBondContact O-N 2.8Å; E328-A332 VanDerWaalsContact O-CB 3.28Å; E328-A332 WeakPolarHBondContact O-CB 3.37Å; E328-A332 PolarHBondContact O-N 3.35Å
329	S	84.3	Confident	78.4	Confident	62 Å²	62	55.2 Å²	55.2	43%	0.434	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-43	175.5	-178.9	0	0	0	0	113	K325 V326 W327 A332 K333	K325-S329 PolarHBondContact O-N 2.96Å; V326-S329 WeakPolarHBondContact O-CA 3.27Å; V326-S329 WeakPolarHBondContact O-CB 3.37Å; V326-S329 PolarHBondContact O-N 3.12Å; V326-S329 VanDerWaalsContact O-N 3.12Å; W327-S329 PolarHBondContact O-N 2.89Å; S329-A332 PolarHBondContact O-N 2.88Å; S329-K333 WeakPolarHBondContact O-CB 3.33Å; S329-K333 PolarHBondContact O-N 3.46Å
330	V	83.7	Confident	79.1	Confident	2 Å²	2	54 Å²	54	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-46.7	175.1	175.6	0	0	0	0	110.8	I191 E194 Y195 A198 V326 W327 K333 Q334	I191-V330 HydrophobicContact CG2-CG1 4.38Å; E194-V330 HydrophobicContact CB-CG1 4.18Å; Y195-V330 VanDerWaalsContact CA-CG2 3.46Å; Y195-V330 HydrophobicContact CD2-CG2 4.06Å; A198-V330 HydrophobicContact CB-CG2 3.94Å; V326-V330 WeakPolarHBondContact O-CG2 3.29Å; V326-V330 PolarHBondContact O-N 3.4Å; W327-V330 PolarHBondContact O-N 3.38Å; W327-V330 VanDerWaalsContact O-N 3.13Å; V330-K333 PolarHBondContact O-N 2.84Å; V330-Q334 WeakPolarHBondContact O-CG 3.37Å; V330-Q334 PolarHBondContact O-N 3.13Å
331	V	87	Confident	79.9	Confident	12 Å²	12	53.8 Å²	53.8	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-44.7	178.4	171.7	0	0	0	0	110.3	I300 W327 E328 K333 Q334 L335	I300-V331 HydrophobicContact CD1-CG1 4.17Å; I300-V331 HydrophobicContact CG2-CG1 4.26Å; W327-V331 HydrophobicContact CG-CG2 4.45Å; W327-V331 WeakPolarHBondContact O-CG2 3.4Å; W327-V331 PolarHBondContact O-N 2.98Å; E328-V331 PolarHBondContact O-N 2.8Å; V331-K333 PolarHBondContact O-N 2.88Å; V331-Q334 PolarHBondContact O-N 2.89Å; V331-Q334 VanDerWaalsContact O-N 3.16Å; V331-L335 HydrophobicContact CG1-CD1 4.07Å; V331-L335 HydrophobicContact CG1-CG 4.45Å; V331-L335 VanDerWaalsContact O-CG 3.31Å; V331-L335 WeakPolarHBondContact O-CG 3.41Å; V331-L335 PolarHBondContact O-N 3.04Å
332	A	86.9	Confident	80.6	Confident	44 Å²	44	49.4 Å²	49.4	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-46.5	176.2	0	0	0	0	0	111.9	E328 S329 Q334 L335 E336	E328-A332 VanDerWaalsContact O-CB 3.28Å; E328-A332 WeakPolarHBondContact O-CB 3.37Å; E328-A332 PolarHBondContact O-N 3.35Å; S329-A332 PolarHBondContact O-N 2.88Å; A332-Q334 VanDerWaalsContact C-N 3.29Å; A332-Q334 PolarHBondContact O-N 3.12Å; A332-L335 WeakPolarHBondContact O-CB 3.46Å; A332-L335 PolarHBondContact O-N 2.93Å; A332-E336 PolarHBondContact O-N 2.85Å
333	K	83.2	Confident	81.4	Confident	97 Å²	97	52.4 Å²	52.4	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-35.9	176.2	-170	179.1	-179.6	-174.5	0	112.5	E194 S329 V330 V331	E194-K333 IonicContact OE1-NZ 2.65Å; E194-K333 PolarHBondContact OE1-NZ 2.91Å; E194-K333 VanDerWaalsContact OE2-CD 3.26Å; E194-K333 WeakPolarHBondContact OE2-CD 3.36Å; E194-K333 WeakPolarHBondContact OE2-CE 3.33Å; E194-K333 IonicContact OE2-NZ 3.21Å; E194-K333 PolarHBondContact OE2-NZ 2.71Å; S329-K333 WeakPolarHBondContact O-CB 3.33Å; S329-K333 PolarHBondContact O-N 3.46Å; V330-K333 PolarHBondContact O-N 2.84Å; V331-K333 PolarHBondContact O-N 2.88Å
334	Q	84	Confident	82.2	Confident	23 Å²	23	53.1 Å²	53.1	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-70.3	-35.5	173.8	-67.6	-61.7	-37.1	0	0	112.1	I191 T298 I300 V330 V331 A332 E336 N337 T341	I191-Q334 HydrophobicContact CD1-CG 4.22Å; T298-Q334 HydrophobicContact CG2-CB 4.29Å; T298-Q334 HydrophobicContact CG2-CG 4.28Å; T298-Q334 PolarHBondContact OG1-OE1 3.37Å; T298-Q334 VanDerWaalsContact OG1-OE1 3.06Å; I300-Q334 HydrophobicContact CD1-CB 4.11Å; V330-Q334 WeakPolarHBondContact O-CG 3.37Å; V330-Q334 PolarHBondContact O-N 3.13Å; V331-Q334 PolarHBondContact O-N 2.89Å; V331-Q334 VanDerWaalsContact O-N 3.16Å; A332-Q334 VanDerWaalsContact C-N 3.29Å; A332-Q334 PolarHBondContact O-N 3.12Å; Q334-E336 VanDerWaalsContact C-N 3.3Å; Q334-E336 PolarHBondContact O-N 3.21Å; Q334-N337 WeakPolarHBondContact O-CB 3.45Å; Q334-N337 PolarHBondContact O-N 3.21Å; Q334-N337 VanDerWaalsContact O-N 3.1Å; Q334-T341 WeakPolarHBondContact O-CB 3.04Å; Q334-T341 PolarHBondContact O-OG1 2.74Å
335	L	84.9	Confident	82.7	Confident	77 Å²	77	57.9 Å²	57.9	40%	0.403	31%	0.306	S	S	.	.	H	α-helix	trans	-66.2	-31.5	175.9	-70.7	169.1	0	0	0	112.7	I300 V331 A332 N337 T341 V343	I300-L335 HydrophobicContact CD1-CD2 3.66Å; I300-L335 HydrophobicContact CD1-CG 3.82Å; V331-L335 HydrophobicContact CG1-CD1 4.07Å; V331-L335 HydrophobicContact CG1-CG 4.45Å; V331-L335 VanDerWaalsContact O-CG 3.31Å; V331-L335 WeakPolarHBondContact O-CG 3.41Å; V331-L335 PolarHBondContact O-N 3.04Å; A332-L335 WeakPolarHBondContact O-CB 3.46Å; A332-L335 PolarHBondContact O-N 2.93Å; L335-N337 PolarHBondContact O-N 3.1Å; L335-T341 HydrophobicContact CD2-CG2 4.31Å; L335-V343 HydrophobicContact CD2-CG2 3.32Å
336	E	82.1	Confident	82.9	Confident	153 Å²	153	56.6 Å²	56.6	72%	0.715	30%	0.302	S	S	*	.	H	α-helix	trans	-62.7	-25.8	171.8	-68.8	172.7	-173	0	0	112.3	A332 Q334 V338	A332-E336 PolarHBondContact O-N 2.85Å; Q334-E336 VanDerWaalsContact C-N 3.3Å; Q334-E336 PolarHBondContact O-N 3.21Å; E336-V338 PolarHBondContact O-N 3.1Å
337	N	76.1	Confident	83	Confident	69 Å²	69	60.1 Å²	60.1	37%	0.369	34%	0.338	S	S	.	.			trans	-82.1	59.6	174.6	-162.6	-2.5	0	0	0	111.9	Q334 L335 N339 N340 T341	Q334-N337 WeakPolarHBondContact O-CB 3.45Å; Q334-N337 PolarHBondContact O-N 3.21Å; Q334-N337 VanDerWaalsContact O-N 3.1Å; L335-N337 PolarHBondContact O-N 3.1Å; N337-N339 PolarHBondContact O-N 3.06Å; N337-N340 PolarHBondContact O-N 2.88Å; N337-T341 WeakPolarHBondContact O-CB 3.42Å; N337-T341 PolarHBondContact O-N 3.33Å; N337-T341 VanDerWaalsContact O-N 3.14Å; N337-T341 PolarHBondContact O-OG1 3.45Å
338	V	69.3	Low	83.1	Confident	114 Å²	114	64.7 Å²	64.7	69%	0.691	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-31.6	-174.3	-175	0	0	0	0	112.4	E336 N340	E336-V338 PolarHBondContact O-N 3.1Å; V338-N340 VanDerWaalsContact C-N 3.31Å; V338-N340 PolarHBondContact O-N 3.33Å
339	N	72.5	Confident	82.9	Confident	134 Å²	134	65.7 Å²	65.7	72%	0.717	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.1	-177.6	-74.4	-25.5	0	0	0	113.7	N337 F360	N337-N339 PolarHBondContact O-N 3.06Å; N339-F360 WeakPolarHBondContact O-CE1 3.36Å; N339-F360 WeakPolarHBondContact O-CZ 3.46Å
340	N	78.1	Confident	82.6	Confident	40 Å²	40	64.3 Å²	64.3	21%	0.214	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	4.1	-173.1	-73.1	-14.8	0	0	0	113.8	S296 V297 T298 N337 V338	S296-N340 WeakPolarHBondContact O-CB 3.16Å; V297-N340 CarbonylContact C-O 3.51Å; V297-N340 VanDerWaalsContact CA-O 3.29Å; V297-N340 WeakPolarHBondContact CA-O 3.39Å; T298-N340 PolarHBondContact N-O 3.18Å; N337-N340 PolarHBondContact O-N 2.88Å; V338-N340 VanDerWaalsContact C-N 3.31Å; V338-N340 PolarHBondContact O-N 3.33Å
341	T	85.4	Confident	82.3	Confident	19 Å²	19	69.5 Å²	69.5	12%	0.117	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.4	-175.4	-62.1	0	0	0	0	110.9	T298 I300 Q334 L335 N337	T298-T341 CarbonylContact O-C 3.55Å; T298-T341 WeakPolarHBondContact O-CA 3.19Å; I300-T341 HydrophobicContact CD1-CG2 3.51Å; I300-T341 HydrophobicContact CG1-CG2 4.1Å; Q334-T341 WeakPolarHBondContact O-CB 3.04Å; Q334-T341 PolarHBondContact O-OG1 2.74Å; L335-T341 HydrophobicContact CD2-CG2 4.31Å; N337-T341 WeakPolarHBondContact O-CB 3.42Å; N337-T341 PolarHBondContact O-N 3.33Å; N337-T341 VanDerWaalsContact O-N 3.14Å; N337-T341 PolarHBondContact O-OG1 3.45Å
342	I	87.7	Confident	81.9	Confident	17 Å²	17	72.8 Å²	72.8	9%	0.087	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.4	173.1	-56.9	170.4	0	0	0	107.5	V297 T298 L299 I300 L353 V357 F360	V297-I342 HydrophobicContact CG1-CD1 3.66Å; V297-I342 HydrophobicContact CG1-CG1 3.96Å; T298-I342 PolarHBondContact O-N 3.09Å; L299-I342 CarbonylContact C-O 3.55Å; L299-I342 WeakPolarHBondContact CA-O 3.29Å; L299-I342 HydrophobicContact CD1-CB 4.13Å; L299-I342 HydrophobicContact CD1-CG2 4.04Å; I300-I342 PolarHBondContact N-O 2.9Å; I342-L353 HydrophobicContact CG2-CD1 3.63Å; I342-V357 HydrophobicContact CD1-CB 4.32Å; I342-V357 HydrophobicContact CD1-CG2 3.62Å; I342-F360 HydrophobicContact CD1-CD2 3.88Å; I342-F360 HydrophobicContact CD1-CE2 3.74Å; I342-F360 HydrophobicContact CG1-CD2 4.37Å; I342-F360 HydrophobicContact CG1-CE2 3.71Å
343	V	89	Confident	81.5	Confident	82 Å²	82	71 Å²	71	50%	0.497	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.6	171.8	-173.3	0	0	0	0	108.3	I300 L335	I300-V343 CarbonylContact O-C 3.58Å; I300-V343 WeakPolarHBondContact O-CA 3.01Å; L335-V343 HydrophobicContact CD2-CG2 3.32Å
344	Y	89.3	Confident	81.1	Confident	17 Å²	17	66.5 Å²	66.5	7%	0.067	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.6	175.1	173.6	-113.7	0	0	0	109.9	A63 I300 I301 D302 I346 E348 L350 L353	A63-Y344 HydrophobicContact CB-CE1 4.5Å; I300-Y344 PolarHBondContact O-N 2.65Å; I301-Y344 CarbonylContact C-O 3.58Å; I301-Y344 WeakPolarHBondContact CA-O 3.34Å; I301-Y344 HydrophobicContact CG1-CD1 4.49Å; I301-Y344 HydrophobicContact CG2-CD1 4.18Å; D302-Y344 PolarHBondContact N-O 3.1Å; Y344-I346 HydrophobicContact CE1-CG1 4.3Å; Y344-E348 HydrophobicContact CD2-CB 4.28Å; Y344-E348 HydrophobicContact CE2-CB 3.78Å; Y344-E348 WeakPolarHBondContact CE2-O 3.4Å; Y344-E348 PolarHBondContact OH-O 3.27Å; Y344-L350 HydrophobicContact CE1-CD2 4.25Å; Y344-L350 HydrophobicContact CE2-CD2 4.2Å; Y344-L353 HydrophobicContact CD1-CD2 3.94Å; Y344-L353 HydrophobicContact CD2-CB 4.11Å; Y344-L353 HydrophobicContact CD2-CD2 3.78Å; Y344-L353 HydrophobicContact CD2-CG 4.47Å; Y344-L353 HydrophobicContact CE1-CD2 4.44Å; Y344-L353 HydrophobicContact CE2-CD2 4.28Å; Y344-L353 HydrophobicContact CG-CD2 3.59Å
345	K	89.2	Confident	80.7	Confident	103 Å²	103	68.5 Å²	68.5	45%	0.448	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.6	172.3	-171.2	173.2	-175.7	174.3	0	110.2	D302 G347 E348	D302-K345 HydrophobicContact CB-CB 4.42Å; D302-K345 HydrophobicContact CB-CG 4.29Å; K345-G347 PolarHBondContact O-N 3.39Å; K345-G347 VanDerWaalsContact O-N 3.13Å; K345-E348 HydrophobicContact CB-CG 4.08Å; K345-E348 PolarHBondContact N-OE2 3.41Å; K345-E348 WeakPolarHBondContact O-CB 3.32Å; K345-E348 PolarHBondContact O-N 3.46Å
346	I	83.2	Confident	80.3	Confident	47 Å²	47	66.4 Å²	66.4	24%	0.241	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	122.8	176.6	-65.2	-175.5	0	0	0	109.3	K59 A63 I301 D302 T303 Y344	K59-I346 HydrophobicContact CB-CD1 4.23Å; A63-I346 HydrophobicContact CB-CD1 4.04Å; A63-I346 HydrophobicContact CB-CG1 4.14Å; I301-I346 HydrophobicContact CG2-CD1 3.98Å; I301-I346 HydrophobicContact CG2-CG1 3.7Å; D302-I346 WeakPolarHBondContact O-CG1 3.18Å; D302-I346 PolarHBondContact O-N 2.8Å; T303-I346 HydrophobicContact CG2-CD1 4.31Å; Y344-I346 HydrophobicContact CE1-CG1 4.3Å
347	G	80.3	Confident	79.9	Confident	75 Å²	75	59.1 Å²	59.1	77%	0.773	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.5	-18.1	-174.8	0	0	0	0	0	113.4	K345	K345-G347 PolarHBondContact O-N 3.39Å; K345-G347 VanDerWaalsContact O-N 3.13Å
348	E	84.6	Confident	79.6	Confident	97 Å²	97	56.7 Å²	56.7	45%	0.453	34%	0.335	S	S	.	.	S	Bend	trans	-74.8	152.9	172.3	-68.6	179.1	159.5	0	0	111.9	Y344 K345 L350	Y344-E348 HydrophobicContact CD2-CB 4.28Å; Y344-E348 HydrophobicContact CE2-CB 3.78Å; Y344-E348 WeakPolarHBondContact CE2-O 3.4Å; Y344-E348 PolarHBondContact OH-O 3.27Å; K345-E348 HydrophobicContact CB-CG 4.08Å; K345-E348 PolarHBondContact N-OE2 3.41Å; K345-E348 WeakPolarHBondContact O-CB 3.32Å; K345-E348 PolarHBondContact O-N 3.46Å; E348-L350 PolarHBondContact O-N 2.83Å
349	P	80.9	Confident	79.6	Confident	96 Å²	96	58.3 Å²	58.3	62%	0.623	33%	0.333	S	S	*	.			trans	-59.1	126.9	175.7	-22.8	33.4	0	0	0	112.3	D351	P349-D351 PolarHBondContact O-N 2.87Å
350	L	78.2	Confident	79.2	Confident	32 Å²	32	53.3 Å²	53.3	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-65	-23.5	-179.9	-74.8	168.1	0	0	0	113.3	T66 L67 N70 Y344 E348 S352 L353 I354	T66-L350 HydrophobicContact CG2-CD1 3.46Å; T66-L350 VanDerWaalsContact CG2-CD1 3.46Å; L67-L350 HydrophobicContact CB-CD2 4.43Å; L67-L350 HydrophobicContact CD1-CD2 4.44Å; N70-L350 WeakPolarHBondContact ND2-CD1 3.4Å; Y344-L350 HydrophobicContact CE1-CD2 4.25Å; Y344-L350 HydrophobicContact CE2-CD2 4.2Å; E348-L350 PolarHBondContact O-N 2.83Å; L350-S352 VanDerWaalsContact C-N 3.27Å; L350-S352 PolarHBondContact O-N 3.13Å; L350-L353 HydrophobicContact CD2-CD2 4.03Å; L350-L353 WeakPolarHBondContact O-CB 3.34Å; L350-L353 PolarHBondContact O-N 2.89Å; L350-L353 VanDerWaalsContact O-N 3.1Å; L350-I354 HydrophobicContact CB-CD1 4.28Å; L350-I354 VanDerWaalsContact O-CG1 3.27Å; L350-I354 WeakPolarHBondContact O-CG1 3.27Å; L350-I354 PolarHBondContact O-N 3.44Å
351	D	76.8	Confident	78.3	Confident	111 Å²	111	51.9 Å²	51.9	59%	0.594	30%	0.297	S	S	*	.	H	α-helix	trans	-58.9	-38.1	-177.7	-67.4	-31.2	0	0	0	112.7	P349 T355	P349-D351 PolarHBondContact O-N 2.87Å; D351-T355 VanDerWaalsContact O-CB 3.31Å; D351-T355 WeakPolarHBondContact O-CB 3.45Å; D351-T355 PolarHBondContact O-N 3.02Å; D351-T355 PolarHBondContact O-OG1 2.86Å
352	S	77.8	Confident	76.9	Confident	82 Å²	82	52.8 Å²	52.8	57%	0.573	31%	0.31	S	S	*	.	H	α-helix	trans	-67.1	-43.1	176.3	-175.2	0	0	0	0	111.6	L350 T355 S356	L350-S352 VanDerWaalsContact C-N 3.27Å; L350-S352 PolarHBondContact O-N 3.13Å; S352-T355 PolarHBondContact O-N 2.98Å; S352-S356 WeakPolarHBondContact O-CB 3.38Å; S352-S356 PolarHBondContact O-N 3.1Å; S352-S356 PolarHBondContact O-OG 3.25Å
353	L	79.3	Confident	75.1	Confident	7 Å²	7	60.8 Å²	60.8	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-47.8	176.6	171.7	57.7	0	0	0	111.1	L67 L299 I342 Y344 L350 T355 S356 V357	L67-L353 HydrophobicContact CD1-CD2 3.63Å; L67-L353 HydrophobicContact CD1-CG 3.78Å; L67-L353 HydrophobicContact CD2-CD2 3.83Å; L67-L353 HydrophobicContact CD2-CG 4.4Å; L67-L353 HydrophobicContact CG-CD2 4.24Å; L299-L353 HydrophobicContact CD1-CD1 3.48Å; L299-L353 VanDerWaalsContact CD1-CD1 3.48Å; L299-L353 HydrophobicContact CD1-CD2 4.43Å; L299-L353 HydrophobicContact CD2-CD1 4.26Å; L299-L353 HydrophobicContact CD2-CD2 4.39Å; I342-L353 HydrophobicContact CG2-CD1 3.63Å; Y344-L353 HydrophobicContact CD1-CD2 3.94Å; Y344-L353 HydrophobicContact CD2-CB 4.11Å; Y344-L353 HydrophobicContact CD2-CD2 3.78Å; Y344-L353 HydrophobicContact CD2-CG 4.47Å; Y344-L353 HydrophobicContact CE1-CD2 4.44Å; Y344-L353 HydrophobicContact CE2-CD2 4.28Å; Y344-L353 HydrophobicContact CG-CD2 3.59Å; L350-L353 HydrophobicContact CD2-CD2 4.03Å; L350-L353 WeakPolarHBondContact O-CB 3.34Å; L350-L353 PolarHBondContact O-N 2.89Å; L350-L353 VanDerWaalsContact O-N 3.1Å; L353-T355 VanDerWaalsContact C-N 3.32Å; L353-T355 PolarHBondContact O-N 2.89Å; L353-S356 PolarHBondContact O-N 3.28Å; L353-S356 VanDerWaalsContact O-N 3.13Å; L353-V357 HydrophobicContact CD1-CG2 3.9Å; L353-V357 WeakPolarHBondContact O-CG2 3.34Å; L353-V357 PolarHBondContact O-N 3.32Å
354	I	75.3	Confident	73.3	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-43.2	179	-61.7	161.5	0	0	0	110.4	L67 N70 I71 Q74 L350 S356 V357 T358	L67-I354 HydrophobicContact CD1-CG1 3.77Å; N70-I354 HydrophobicContact CB-CD1 3.57Å; I71-I354 HydrophobicContact CG1-CB 4.44Å; I71-I354 HydrophobicContact CG1-CG1 3.95Å; I71-I354 HydrophobicContact CG1-CG2 3.89Å; Q74-I354 HydrophobicContact CG-CG2 4.36Å; Q74-I354 VanDerWaalsContact OE1-CG2 3.28Å; L350-I354 HydrophobicContact CB-CD1 4.28Å; L350-I354 VanDerWaalsContact O-CG1 3.27Å; L350-I354 WeakPolarHBondContact O-CG1 3.27Å; L350-I354 PolarHBondContact O-N 3.44Å; I354-S356 VanDerWaalsContact C-N 3.27Å; I354-S356 PolarHBondContact O-N 3.39Å; I354-V357 PolarHBondContact O-N 2.94Å; I354-T358 HydrophobicContact CG2-CG2 4.15Å; I354-T358 WeakPolarHBondContact O-CB 3.39Å; I354-T358 WeakPolarHBondContact O-CG2 3.43Å; I354-T358 PolarHBondContact O-N 3.37Å; I354-T358 PolarHBondContact O-OG1 2.84Å
355	T	73.8	Confident	71.5	Confident	65 Å²	65	66.7 Å²	66.7	40%	0.399	37%	0.367	S	S	.	.	H	α-helix	trans	-59.3	-41.8	175.1	-59	0	0	0	0	110.9	D351 S352 L353 T358 K359	D351-T355 VanDerWaalsContact O-CB 3.31Å; D351-T355 WeakPolarHBondContact O-CB 3.45Å; D351-T355 PolarHBondContact O-N 3.02Å; D351-T355 PolarHBondContact O-OG1 2.86Å; S352-T355 PolarHBondContact O-N 2.98Å; L353-T355 VanDerWaalsContact C-N 3.32Å; L353-T355 PolarHBondContact O-N 2.89Å; T355-T358 WeakPolarHBondContact CA-OG1 3.26Å; T355-T358 PolarHBondContact O-N 3.5Å; T355-T358 PolarHBondContact O-OG1 3.35Å; T355-T358 VanDerWaalsContact O-OG1 3.09Å; T355-K359 HydrophobicContact CG2-CD 4.48Å; T355-K359 VanDerWaalsContact O-CG 3.3Å; T355-K359 WeakPolarHBondContact O-CG 3.44Å; T355-K359 PolarHBondContact O-N 3.28Å
356	S	77.7	Confident	69.7	Low	33 Å²	33	61.9 Å²	61.9	23%	0.231	35%	0.346	C	S	.	.	H	α-helix	trans	-66.6	-50.2	179.4	-59.5	0	0	0	0	111.8	S352 L353 I354 T358 K359 F360	S352-S356 WeakPolarHBondContact O-CB 3.38Å; S352-S356 PolarHBondContact O-N 3.1Å; S352-S356 PolarHBondContact O-OG 3.25Å; L353-S356 PolarHBondContact O-N 3.28Å; L353-S356 VanDerWaalsContact O-N 3.13Å; I354-S356 VanDerWaalsContact C-N 3.27Å; I354-S356 PolarHBondContact O-N 3.39Å; S356-T358 PolarHBondContact O-N 3.06Å; S356-K359 WeakPolarHBondContact O-CB 3.44Å; S356-K359 PolarHBondContact O-N 3.47Å; S356-K359 VanDerWaalsContact O-N 3.1Å; S356-F360 VanDerWaalsContact O-CD2 3.23Å; S356-F360 WeakPolarHBondContact O-CD2 3.33Å; S356-F360 PolarHBondContact O-N 2.94Å
357	V	74.3	Confident	68.1	Low	1 Å²	1	62 Å²	62	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-58.1	-38.1	175.8	173.9	0	0	0	0	111	V45 I71 L166 F168 I342 L353 I354	V45-V357 HydrophobicContact CG2-CG1 4.48Å; I71-V357 HydrophobicContact CD1-CG1 4.36Å; L166-V357 HydrophobicContact CD1-CG1 3.98Å; F168-V357 HydrophobicContact CZ-CG1 4.45Å; I342-V357 HydrophobicContact CD1-CB 4.32Å; I342-V357 HydrophobicContact CD1-CG2 3.62Å; L353-V357 HydrophobicContact CD1-CG2 3.9Å; L353-V357 WeakPolarHBondContact O-CG2 3.34Å; L353-V357 PolarHBondContact O-N 3.32Å; I354-V357 PolarHBondContact O-N 2.94Å
358	T	68	Low	66.5	Low	17 Å²	17	59.3 Å²	59.3	10%	0.104	32%	0.317	C	S	.	.	H	α-helix	trans	-80.1	-19.9	179.7	58.6	0	0	0	0	113.7	R151 I354 T355 S356 W361	R151-T358 VanDerWaalsContact NH2-CG2 3.3Å; I354-T358 HydrophobicContact CG2-CG2 4.15Å; I354-T358 WeakPolarHBondContact O-CB 3.39Å; I354-T358 WeakPolarHBondContact O-CG2 3.43Å; I354-T358 PolarHBondContact O-N 3.37Å; I354-T358 PolarHBondContact O-OG1 2.84Å; T355-T358 WeakPolarHBondContact CA-OG1 3.26Å; T355-T358 PolarHBondContact O-N 3.5Å; T355-T358 PolarHBondContact O-OG1 3.35Å; T355-T358 VanDerWaalsContact O-OG1 3.09Å; S356-T358 PolarHBondContact O-N 3.06Å; T358-W361 WeakPolarHBondContact O-CB 3.47Å; T358-W361 PolarHBondContact O-N 3.32Å
359	K	70.5	Confident	65	Low	149 Å²	149	55.3 Å²	55.3	65%	0.648	30%	0.3	S	S	*	.	H	α-helix	trans	-66.9	-37.6	171.1	-83.5	174.3	178.7	178.7	0	112.3	T355 S356 W361 G362	T355-K359 HydrophobicContact CG2-CD 4.48Å; T355-K359 VanDerWaalsContact O-CG 3.3Å; T355-K359 WeakPolarHBondContact O-CG 3.44Å; T355-K359 PolarHBondContact O-N 3.28Å; S356-K359 WeakPolarHBondContact O-CB 3.44Å; S356-K359 PolarHBondContact O-N 3.47Å; S356-K359 VanDerWaalsContact O-N 3.1Å; K359-W361 PolarHBondContact O-N 3.08Å; K359-G362 PolarHBondContact O-N 3.24Å; K359-G362 VanDerWaalsContact O-N 3.1Å
360	F	63.6	Low	63.7	Low	28 Å²	28	54.1 Å²	54.1	12%	0.123	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.2	175.3	-83.3	-79	0	0	0	114.3	R295 V297 N339 I342 S356	R295-F360 WeakPolarHBondContact CD-O 3.25Å; R295-F360 PolarHBondContact NE-O 2.78Å; R295-F360 VanDerWaalsContact NE-O 3.09Å; R295-F360 PolarHBondContact NH1-O 2.68Å; R295-F360 PolarHBondContact NH2-O 2.83Å; V297-F360 HydrophobicContact CG1-CD2 3.99Å; V297-F360 HydrophobicContact CG1-CE2 4.09Å; V297-F360 HydrophobicContact CG1-CG 4.36Å; V297-F360 HydrophobicContact CG1-CZ 4.5Å; V297-F360 HydrophobicContact CG2-CB 3.55Å; V297-F360 HydrophobicContact CG2-CD1 3.58Å; V297-F360 HydrophobicContact CG2-CD2 3.85Å; V297-F360 HydrophobicContact CG2-CE1 4.21Å; V297-F360 HydrophobicContact CG2-CE2 4.49Å; V297-F360 HydrophobicContact CG2-CG 3.36Å; N339-F360 WeakPolarHBondContact O-CE1 3.36Å; N339-F360 WeakPolarHBondContact O-CZ 3.46Å; I342-F360 HydrophobicContact CD1-CD2 3.88Å; I342-F360 HydrophobicContact CD1-CE2 3.74Å; I342-F360 HydrophobicContact CG1-CD2 4.37Å; I342-F360 HydrophobicContact CG1-CE2 3.71Å; S356-F360 VanDerWaalsContact O-CD2 3.23Å; S356-F360 WeakPolarHBondContact O-CD2 3.33Å; S356-F360 PolarHBondContact O-N 2.94Å
361	W	59.8	Low	62.4	Low	10 Å²	10	59.6 Å²	59.6	4%	0.038	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-19.9	-177.8	-178.9	23.4	0	0	0	112.7	I43 I149 R151 T164 T358 K359 N364	I43-W361 HydrophobicContact CD1-CB 3.99Å; I43-W361 HydrophobicContact CD1-CG 3.97Å; I149-W361 HydrophobicContact CB-CH2 3.29Å; I149-W361 HydrophobicContact CB-CZ2 3.85Å; I149-W361 HydrophobicContact CB-CZ3 3.84Å; I149-W361 HydrophobicContact CD1-CE3 4.4Å; I149-W361 HydrophobicContact CD1-CH2 4.26Å; I149-W361 HydrophobicContact CD1-CZ3 3.95Å; I149-W361 HydrophobicContact CG1-CH2 4.34Å; I149-W361 HydrophobicContact CG1-CZ3 4.5Å; I149-W361 HydrophobicContact CG2-CH2 3.24Å; I149-W361 HydrophobicContact CG2-CZ2 4.26Å; I149-W361 HydrophobicContact CG2-CZ3 3.56Å; I149-W361 WeakPolarHBondContact O-CH2 3.26Å; I149-W361 WeakPolarHBondContact O-CZ2 3.38Å; R151-W361 HydrophobicContact CG-CH2 4.05Å; R151-W361 HydrophobicContact CG-CZ3 4.34Å; T164-W361 VanDerWaalsContact CB-NE1 3.27Å; T164-W361 VanDerWaalsContact CG2-NE1 3.32Å; T358-W361 WeakPolarHBondContact O-CB 3.47Å; T358-W361 PolarHBondContact O-N 3.32Å; K359-W361 PolarHBondContact O-N 3.08Å; W361-N364 VanDerWaalsContact O-CG 3.27Å; W361-N364 PolarHBondContact O-ND2 2.85Å
362	G	55.8	Low	61.1	Low	38 Å²	38	58.4 Å²	58.4	39%	0.392	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	-162.3	-175.6	0	0	0	0	0	113	K359 N364	K359-G362 PolarHBondContact O-N 3.24Å; K359-G362 VanDerWaalsContact O-N 3.1Å; G362-N364 PolarHBondContact O-N 3.37Å
363	H	50	Low	59.3	Low	186 Å²	186	63.5 Å²	63.5	86%	0.861	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	32.8	177.1	-72.5	75.3	0	0	0	112.4	R365	H363-R365 PolarHBondContact O-N 3.27Å
364	N	51.7	Low	58.3	Low	91 Å²	91	66.3 Å²	66.3	49%	0.487	35%	0.354	S	S	.	.			trans	-66.7	100.9	-172.9	-77.2	-4.4	0	0	0	110.9	W361 G362	W361-N364 VanDerWaalsContact O-CG 3.27Å; W361-N364 PolarHBondContact O-ND2 2.85Å; G362-N364 PolarHBondContact O-N 3.37Å
365	R	50.1	Low	57.4	Low	131 Å²	131	69.7 Å²	69.7	49%	0.494	37%	0.372	S	S	.	.			trans	-77	156.2	170.3	-67.5	-179.9	-177.9	-170.3	1.2	109.2	H363 C369	H363-R365 PolarHBondContact O-N 3.27Å; R365-C369 HydrophobicContact CB-CB 3.7Å; R365-C369 HydrophobicContact CG-CB 4.31Å
366	C	51.2	Low	56.5	Low	3 Å²	3	70 Å²	70	2%	0.02	37%	0.371	C	S	.	.			trans	-61.9	154.9	169.5	76.8	0	0	0	0	110.1	C150 C153 Y161 I368 C369 S370	C150-C366 HydrophobicContact CB-CB 4.31Å; C150-C366 VanDerWaalsContact SG-SG 3.63Å; C153-C366 PolarHBondContact SG-SG 3.47Å; Y161-C366 HydrophobicContact CE2-CB 4.38Å; C366-I368 PolarHBondContact O-N 2.06Å; C366-I368 VanDerWaalsContact O-N 3.12Å; C366-C369 CarbonylContact O-C 3.48Å; C366-C369 WeakPolarHBondContact O-CA 3.47Å; C366-C369 WeakPolarHBondContact O-CB 3.32Å; C366-C369 PolarHBondContact O-N 3.35Å; C366-C369 PolarHBondContact SG-N 2.73Å; C366-S370 PolarHBondContact O-N 2.64Å; C366-S370 PolarHBondContact O-OG 3.05Å
367	T	50.2	Low	55.2	Low	49 Å²	49	72.2 Å²	72.2	30%	0.301	38%	0.379	S	S	.	.	H	α-helix	trans	-44.9	-47.2	179	43.4	0	0	0	0	112.3	K162 C369 S370 E371	K162-T367 HydrophobicContact CB-CG2 3.9Å; K162-T367 HydrophobicContact CD-CG2 4.4Å; T367-C369 PolarHBondContact O-N 2.88Å; T367-S370 CarbonylContact O-C 3.56Å; T367-S370 WeakPolarHBondContact O-CA 3.42Å; T367-S370 WeakPolarHBondContact O-CB 3.2Å; T367-S370 PolarHBondContact O-N 3.32Å; T367-E371 WeakPolarHBondContact O-CB 3.31Å; T367-E371 WeakPolarHBondContact O-CG 3.47Å; T367-E371 PolarHBondContact O-N 2.95Å
368	I	47.3	Very low	54	Low	18 Å²	18	76.6 Å²	76.6	9%	0.092	40%	0.403	C	S	.	.	H	α-helix	trans	-61.5	-41.7	178.7	-57	164.8	0	0	0	111.9	H155 R158 C366 S370 E371 S372	H155-I368 HydrophobicContact CB-CD1 3.73Å; H155-I368 WeakPolarHBondContact CE1-CG2 3.3Å; H155-I368 WeakPolarHBondContact ND1-CG2 3.38Å; R158-I368 HydrophobicContact CB-CD1 4.4Å; C366-I368 PolarHBondContact O-N 2.06Å; C366-I368 VanDerWaalsContact O-N 3.12Å; I368-S370 VanDerWaalsContact C-N 3.28Å; I368-S370 PolarHBondContact O-N 3.43Å; I368-E371 PolarHBondContact O-N 3.45Å; I368-S372 PolarHBondContact O-N 3.36Å; I368-S372 VanDerWaalsContact O-N 3.08Å; I368-S372 PolarHBondContact O-OG 3.24Å
369	C	52.9	Low	53.1	Low	14 Å²	14	80.6 Å²	80.6	10%	0.095	42%	0.422	C	S	.	.	H	α-helix	trans	-73.7	-20.1	176.7	-75.7	0	0	0	0	113.5	C153 R365 C366 T367	C153-C369 WeakPolarHBondContact CB-SG 3.3Å; R365-C369 HydrophobicContact CB-CB 3.7Å; R365-C369 HydrophobicContact CG-CB 4.31Å; C366-C369 CarbonylContact O-C 3.48Å; C366-C369 WeakPolarHBondContact O-CA 3.47Å; C366-C369 WeakPolarHBondContact O-CB 3.32Å; C366-C369 PolarHBondContact O-N 3.35Å; C366-C369 PolarHBondContact SG-N 2.73Å; T367-C369 PolarHBondContact O-N 2.88Å
370	S	52.7	Low	51.9	Low	70 Å²	70	75.7 Å²	75.7	49%	0.49	41%	0.406	S	S	.	.	H	α-helix	trans	-80.9	-33.6	171.9	-58.7	0	0	0	0	111.4	C366 T367 I368	C366-S370 PolarHBondContact O-N 2.64Å; C366-S370 PolarHBondContact O-OG 3.05Å; T367-S370 CarbonylContact O-C 3.56Å; T367-S370 WeakPolarHBondContact O-CA 3.42Å; T367-S370 WeakPolarHBondContact O-CB 3.2Å; T367-S370 PolarHBondContact O-N 3.32Å; I368-S370 VanDerWaalsContact C-N 3.28Å; I368-S370 PolarHBondContact O-N 3.43Å
371	E	51.1	Low	51	Low	148 Å²	148	79.4 Å²	79.4	69%	0.692	43%	0.428	S	S	*	.	H	α-helix	trans	-82.4	-13.3	178	-71.9	168.9	-166.4	0	0	114.2	T367 I368 N373	T367-E371 WeakPolarHBondContact O-CB 3.31Å; T367-E371 WeakPolarHBondContact O-CG 3.47Å; T367-E371 PolarHBondContact O-N 2.95Å; I368-E371 PolarHBondContact O-N 3.45Å; E371-N373 PolarHBondContact O-N 2.67Å
372	S	50.3	Low	50.2	Low	85 Å²	85	85.2 Å²	85.2	59%	0.594	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	5.8	179.5	-54.1	0	0	0	0	114	I368	I368-S372 PolarHBondContact O-N 3.36Å; I368-S372 VanDerWaalsContact O-N 3.08Å; I368-S372 PolarHBondContact O-OG 3.24Å
373	N	39.8	Very low	49.7	Very low	189 Å²	189	89.5 Å²	89.5	100%	1.011	47%	0.467	S	S	*	.			trans	-113.9	0	172.1	-88.6	1.7	0	0	0	108.2	E371	E371-N373 PolarHBondContact O-N 2.67Å

Retrieved 373 of 373 residues in 67 ms (Link to these results)

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