YH002_YEAST Loading...

Putative uncharacterized membrane protein YHL002C-A

AlphaFold DB , UniProt , Accession A0A023PYG1, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 162 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.6	Very low	26.1	Very low	170 Å²	170	104.9 Å²	104.9	84%	0.837	65%	0.65	S	S	*	*				0	88	0	178.7	177.1	161	0	0	108.6	R23	M1-R23 VanDerWaalsContact CA-NH2 3.27Å
2	L	23.8	Very low	26.1	Very low	73 Å²	73	111.8 Å²	111.8	38%	0.382	66%	0.663	S	S	.	*			trans	-89.4	95.8	169.6	-86.1	156.6	0	0	0	111.3	F4 R23 S24	L2-F4 HydrophobicContact CB-CE2 4.37Å; L2-F4 HydrophobicContact CD2-CE2 4.14Å; L2-R23 VanDerWaalsContact C-NE 3.26Å; L2-R23 VanDerWaalsContact CA-NE 3.31Å; L2-R23 HydrophobicContact CB-CG 3.27Å; L2-R23 VanDerWaalsContact CB-NE 3.33Å; L2-R23 HydrophobicContact CD1-CG 3.72Å; L2-R23 HydrophobicContact CG-CG 4.14Å; L2-R23 PolarHBondContact O-NE 2.69Å; L2-R23 PolarHBondContact O-NH2 3.23Å; L2-S24 WeakPolarHBondContact CD1-O 3.26Å
3	C	22.6	Very low	26.3	Very low	95 Å²	95	117.1 Å²	117.1	64%	0.642	67%	0.667	S	S	*	*			trans	-74.6	126.6	168.4	-66.4	0	0	0	0	107.7
4	F	27.2	Very low	26.3	Very low	127 Å²	127	111.6 Å²	111.6	56%	0.557	65%	0.65	S	S	*	*			trans	-104.7	106.4	165.8	-86.5	-82.8	0	0	0	108.1	L2 Y22	L2-F4 HydrophobicContact CB-CE2 4.37Å; L2-F4 HydrophobicContact CD2-CE2 4.14Å; F4-Y22 WeakPolarHBondContact CE2-O 3.46Å
5	S	24.1	Very low	26.5	Very low	111 Å²	111	107.2 Å²	107.2	78%	0.776	63%	0.631	S	S	*	*			trans	-89.6	108.5	165.7	-174.6	0	0	0	0	106.6
6	G	28.6	Very low	27.1	Very low	52 Å²	52	105.9 Å²	105.9	54%	0.536	62%	0.615	S	S	.	*			trans	-99.5	105.1	171.7	0	0	0	0	0	109.1
7	T	24.4	Very low	27.5	Very low	127 Å²	127	104.1 Å²	104.1	78%	0.779	60%	0.602	S	S	*	*			trans	-99.3	117.4	165.1	10.7	0	0	0	0	107
8	L	29.7	Very low	28.1	Very low	149 Å²	149	101.5 Å²	101.5	78%	0.78	59%	0.586	S	S	*	*			trans	-137.6	116.5	165.9	-106.4	125.8	0	0	0	109.4	L17	L8-L17 HydrophobicContact CB-CD1 4.46Å
9	G	25.7	Very low	28.6	Very low	65 Å²	65	100.1 Å²	100.1	67%	0.67	58%	0.575	S	S	*	*			trans	-70.9	141.1	-171.8	0	0	0	0	0	112.8	T11	G9-T11 PolarHBondContact O-N 3.24Å
10	C	26.7	Very low	29	Very low	86 Å²	86	97.8 Å²	97.8	58%	0.581	56%	0.56	S	S	*	*			trans	-68.9	108.8	168.9	-66.5	0	0	0	0	109.9
11	T	30.3	Very low	29.2	Very low	99 Å²	99	96.1 Å²	96.1	61%	0.607	55%	0.554	S	S	*	*			trans	-85.7	150.2	156.4	51.7	0	0	0	0	109.2	G9 Y13	G9-T11 PolarHBondContact O-N 3.24Å; T11-Y13 PolarHBondContact O-N 3.43Å
12	K	26.8	Very low	29.6	Very low	187 Å²	187	91.5 Å²	91.5	81%	0.813	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	11.4	-173.9	-122.4	175.6	-179.5	179	0	118.1
13	Y	28.2	Very low	30	Very low	181 Å²	181	92.9 Å²	92.9	71%	0.71	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	22.5	-165.3	-63.2	-71.2	0	0	0	115.6	T11	T11-Y13 PolarHBondContact O-N 3.43Å
14	G	26.6	Very low	30.4	Very low	41 Å²	41	90 Å²	90	42%	0.423	51%	0.509	S	S	.	.			trans	89.3	112.6	174	0	0	0	0	0	112.8
15	A	28.5	Very low	30.5	Very low	45 Å²	45	88.9 Å²	88.9	37%	0.372	52%	0.515	S	S	.	.			trans	-107.5	129	-174.7	0	0	0	0	0	111.7
16	F	36.1	Very low	30.9	Very low	86 Å²	86	90.7 Å²	90.7	38%	0.377	51%	0.513	S	S	.	.			trans	-91.5	129.6	172.3	-72.5	-98.6	0	0	0	109	W56 F68 F146	F16-W56 AromaticContact CD2-NE1 3.75Å; F16-W56 HydrophobicContact CE1-CH2 4.13Å; F16-W56 AromaticContact CE1-CZ2 3.82Å; F16-W56 HydrophobicContact CE1-CZ2 3.82Å; F16-W56 AromaticContact CE2-CD1 3.78Å; F16-W56 HydrophobicContact CE2-CD2 4.14Å; F16-W56 AromaticContact CE2-CE2 3.23Å; F16-W56 HydrophobicContact CE2-CG 4.43Å; F16-W56 HydrophobicContact CE2-CH2 4.48Å; F16-W56 AromaticContact CE2-CZ2 3.46Å; F16-W56 HydrophobicContact CE2-CZ2 3.46Å; F16-W56 VanDerWaalsContact CE2-CZ2 3.46Å; F16-W56 AromaticContact CE2-NE1 2.98Å; F16-W56 HydrophobicContact CZ-CD2 4.26Å; F16-W56 AromaticContact CZ-CE2 3.3Å; F16-W56 AromaticContact CZ-CH2 3.72Å; F16-W56 HydrophobicContact CZ-CH2 3.72Å; F16-W56 AromaticContact CZ-CZ2 2.99Å; F16-W56 HydrophobicContact CZ-CZ2 2.99Å; F16-W56 AromaticContact CZ-NE1 3.6Å; F16-F68 HydrophobicContact CE1-CD2 4.22Å; F16-F68 HydrophobicContact CE1-CE2 4.19Å; F16-F146 HydrophobicContact CE1-CD2 4.29Å
17	L	33.8	Very low	31.1	Very low	75 Å²	75	92 Å²	92	39%	0.393	52%	0.518	S	S	.	.			trans	-120.3	88.1	174.9	-167	78.8	0	0	0	110.6	L8 I19	L8-L17 HydrophobicContact CB-CD1 4.46Å; L17-I19 HydrophobicContact CD1-CD1 4.45Å; L17-I19 HydrophobicContact CD1-CG1 4.35Å; L17-I19 HydrophobicContact CD2-CD1 3.91Å; L17-I19 HydrophobicContact CD2-CG1 4.34Å; L17-I19 HydrophobicContact CG-CD1 4.12Å; L17-I19 HydrophobicContact CG-CG1 4.01Å
18	L	39.5	Very low	31.4	Very low	58 Å²	58	94.7 Å²	94.7	30%	0.304	51%	0.514	S	S	.	.			trans	-93.5	107.5	168	-137.3	90.6	0	0	0	108.8	L20 F49 I148	L18-L20 HydrophobicContact CD2-CD1 4.24Å; L18-L20 HydrophobicContact CD2-CG 4.3Å; L18-F49 HydrophobicContact CB-CE1 3.6Å; L18-F49 HydrophobicContact CB-CZ 3.86Å; L18-F49 HydrophobicContact CD2-CE1 3.67Å; L18-F49 HydrophobicContact CD2-CZ 3.67Å; L18-F49 HydrophobicContact CG-CE1 4.25Å; L18-F49 HydrophobicContact CG-CZ 4.36Å; L18-I148 HydrophobicContact CD1-CB 3.88Å; L18-I148 HydrophobicContact CD1-CD1 3.58Å; L18-I148 HydrophobicContact CD1-CG1 3.53Å; L18-I148 HydrophobicContact CG-CB 4.14Å; L18-I148 HydrophobicContact CG-CD1 4.44Å; L18-I148 HydrophobicContact CG-CG1 4.33Å
19	I	36.9	Very low	31.8	Very low	75 Å²	75	95.8 Å²	95.8	39%	0.385	52%	0.521	S	S	.	.			trans	-101.1	95.1	174	-59.4	175.8	0	0	0	109	L17 S21	L17-I19 HydrophobicContact CD1-CD1 4.45Å; L17-I19 HydrophobicContact CD1-CG1 4.35Å; L17-I19 HydrophobicContact CD2-CD1 3.91Å; L17-I19 HydrophobicContact CD2-CG1 4.34Å; L17-I19 HydrophobicContact CG-CD1 4.12Å; L17-I19 HydrophobicContact CG-CG1 4.01Å; I19-S21 PolarHBondContact O-N 2.66Å
20	L	37.1	Very low	32.5	Very low	53 Å²	53	98.2 Å²	98.2	28%	0.277	52%	0.519	S	S	.	.			trans	-85.7	93.3	164.6	-67.8	172.3	0	0	0	108.5	L18 Y22 V45 F49 V91 I150	L18-L20 HydrophobicContact CD2-CD1 4.24Å; L18-L20 HydrophobicContact CD2-CG 4.3Å; L20-Y22 PolarHBondContact O-N 3.48Å; L20-Y22 VanDerWaalsContact O-N 3.08Å; L20-V45 HydrophobicContact CD1-CG1 4.42Å; L20-F49 HydrophobicContact CD1-CE2 4.3Å; L20-F49 HydrophobicContact CD1-CZ 4.08Å; L20-V91 HydrophobicContact CD1-CG2 4.36Å; L20-I150 HydrophobicContact CD2-CD1 3.43Å; L20-I150 VanDerWaalsContact CD2-CD1 3.43Å; L20-I150 HydrophobicContact CD2-CG1 4Å
21	S	32.2	Very low	33.1	Very low	63 Å²	63	98.2 Å²	98.2	44%	0.441	53%	0.533	S	S	.	.			trans	-77.4	87.8	169.5	-77	0	0	0	0	109.8	I19 R23	I19-S21 PolarHBondContact O-N 2.66Å; S21-R23 PolarHBondContact O-N 2.84Å
22	Y	32.3	Very low	33.6	Very low	73 Å²	73	96.7 Å²	96.7	29%	0.286	53%	0.526	S	S	.	.			trans	-81.1	102	162.4	-173.4	-102.4	0	0	0	108.8	F4 L20 L41 V87	F4-Y22 WeakPolarHBondContact CE2-O 3.46Å; L20-Y22 PolarHBondContact O-N 3.48Å; L20-Y22 VanDerWaalsContact O-N 3.08Å; Y22-L41 HydrophobicContact CD1-CD2 3.89Å; Y22-L41 HydrophobicContact CD2-CD2 3.97Å; Y22-L41 HydrophobicContact CE1-CD2 3.94Å; Y22-L41 HydrophobicContact CE2-CD2 4.03Å; Y22-L41 HydrophobicContact CG-CD2 3.9Å; Y22-V87 HydrophobicContact CD2-CB 4.33Å; Y22-V87 HydrophobicContact CD2-CG1 4.17Å; Y22-V87 HydrophobicContact CE2-CB 4.5Å
23	R	32.8	Very low	34.2	Very low	103 Å²	103	92.2 Å²	92.2	39%	0.389	52%	0.519	S	S	.	.			trans	-89.9	100.1	171.2	-147.1	-173.6	-152.8	-179	13.5	107.5	M1 L2 S21	M1-R23 VanDerWaalsContact CA-NH2 3.27Å; L2-R23 VanDerWaalsContact C-NE 3.26Å; L2-R23 VanDerWaalsContact CA-NE 3.31Å; L2-R23 HydrophobicContact CB-CG 3.27Å; L2-R23 VanDerWaalsContact CB-NE 3.33Å; L2-R23 HydrophobicContact CD1-CG 3.72Å; L2-R23 HydrophobicContact CG-CG 4.14Å; L2-R23 PolarHBondContact O-NE 2.69Å; L2-R23 PolarHBondContact O-NH2 3.23Å; S21-R23 PolarHBondContact O-N 2.84Å
24	S	30.6	Very low	34.9	Very low	34 Å²	34	90.9 Å²	90.9	24%	0.238	52%	0.523	C	S	.	.			trans	-50.4	130.5	167.3	180	0	0	0	0	108.1	L2 M26	L2-S24 WeakPolarHBondContact CD1-O 3.26Å; S24-M26 PolarHBondContact O-N 3.43Å
25	P	30.7	Very low	35.6	Very low	103 Å²	103	93.8 Å²	93.8	67%	0.669	53%	0.529	S	S	*	.	S	Bend	trans	-53.2	134.7	164.1	24.9	-30.4	0	0	0	106.2	A27	P25-A27 PolarHBondContact O-N 2.96Å
26	M	31.8	Very low	36.1	Very low	149 Å²	149	99.8 Å²	99.8	73%	0.734	55%	0.549	S	S	*	.			trans	-28.1	131.4	-171.1	-69	180	161.4	0	0	113	S24 R28	S24-M26 PolarHBondContact O-N 3.43Å; M26-R28 VanDerWaalsContact C-N 3.28Å; M26-R28 PolarHBondContact O-N 3.35Å
27	A	32.1	Very low	36.3	Very low	80 Å²	80	98 Å²	98	66%	0.661	55%	0.547	S	S	*	.			trans	-39.3	108.2	144.5	0	0	0	0	0	106	P25 N29	P25-A27 PolarHBondContact O-N 2.96Å; A27-N29 PolarHBondContact O-N 3.3Å
28	R	31.5	Very low	36.7	Very low	184 Å²	184	95.8 Å²	95.8	69%	0.694	54%	0.536	S	S	*	.			trans	-49	132.8	165.7	-89.6	179.4	159.9	167.2	-7.6	104.3	M26 D30	M26-R28 VanDerWaalsContact C-N 3.28Å; M26-R28 PolarHBondContact O-N 3.35Å; R28-D30 HydrophobicContact CB-CB 4.06Å; R28-D30 PolarHBondContact O-N 3.25Å
29	N	38.3	Very low	36.7	Very low	171 Å²	171	95.8 Å²	95.8	91%	0.914	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	25.6	171.9	-85.7	-17.9	0	0	0	112.3	A27	A27-N29 PolarHBondContact O-N 3.3Å
30	D	39.2	Very low	36.9	Very low	117 Å²	117	93.6 Å²	93.6	63%	0.626	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	38.4	-172.7	-53.4	-24	0	0	0	109.5	R28 S32	R28-D30 HydrophobicContact CB-CB 4.06Å; R28-D30 PolarHBondContact O-N 3.25Å; D30-S32 PolarHBondContact O-N 2.94Å
31	G	40.6	Very low	37.3	Very low	85 Å²	85	91.4 Å²	91.4	88%	0.876	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	16	171.2	0	0	0	0	0	116.6	S33	G31-S33 PolarHBondContact O-N 3.05Å
32	S	41.2	Very low	37.9	Very low	67 Å²	67	92.2 Å²	92.2	47%	0.469	52%	0.522	S	S	.	.			trans	-81.3	114.9	-171.4	59.6	0	0	0	0	108.6	D30	D30-S32 PolarHBondContact O-N 2.94Å
33	S	38.6	Very low	38.6	Very low	94 Å²	94	93.1 Å²	93.1	66%	0.657	54%	0.536	S	S	*	.			trans	-35.7	134.2	174.6	51	0	0	0	0	112.5	G31 N35	G31-S33 PolarHBondContact O-N 3.05Å; S33-N35 PolarHBondContact O-N 3.19Å
34	L	42.9	Very low	39.2	Very low	152 Å²	152	88.5 Å²	88.5	80%	0.796	52%	0.519	S	S	*	.			trans	-42.7	114	162.8	-87.2	142.9	0	0	0	108.4	E36	L34-E36 PolarHBondContact O-N 3.23Å
35	N	41.6	Very low	40	Very low	102 Å²	102	88.1 Å²	88.1	55%	0.545	52%	0.515	S	S	.	.			trans	-61.8	133	179.3	-74	-31.4	0	0	0	108.1	S33 S37 D38	S33-N35 PolarHBondContact O-N 3.19Å; N35-S37 WeakPolarHBondContact CB-OG 3.44Å; N35-S37 PolarHBondContact O-N 3.33Å; N35-D38 PolarHBondContact O-N 3.42Å
36	E	39.3	Very low	40.8	Very low	171 Å²	171	87.6 Å²	87.6	80%	0.799	51%	0.511	S	S	*	.	H	α-helix	trans	-50	-22.4	179.5	-67	177.7	139.6	0	0	113.4	L34 S39 C40	L34-E36 PolarHBondContact O-N 3.23Å; E36-S39 VanDerWaalsContact C-OG 3.3Å; E36-S39 WeakPolarHBondContact CA-OG 3.31Å; E36-S39 PolarHBondContact O-OG 3.48Å; E36-C40 WeakPolarHBondContact O-CB 2.79Å; E36-C40 PolarHBondContact O-N 2.85Å
37	S	40	Very low	41.4	Very low	48 Å²	48	81.8 Å²	81.8	34%	0.336	49%	0.486	S	S	.	.	H	α-helix	trans	-67.6	-27.7	175.8	21.7	0	0	0	0	114.8	N35 L41 K88	N35-S37 WeakPolarHBondContact CB-OG 3.44Å; N35-S37 PolarHBondContact O-N 3.33Å; S37-L41 PolarHBondContact O-N 3.42Å; S37-K88 PolarHBondContact O-NZ 2.9Å
38	D	40.9	Very low	42.3	Very low	30 Å²	30	79 Å²	79	16%	0.16	46%	0.459	C	S	.	.	H	α-helix	trans	-85.4	-35.8	176.3	-71.7	-29.8	0	0	0	111.6	N35 C40 L41 T42	N35-D38 PolarHBondContact O-N 3.42Å; D38-C40 VanDerWaalsContact C-N 3.35Å; D38-L41 PolarHBondContact O-N 3.32Å; D38-T42 PolarHBondContact O-N 3.32Å; D38-T42 PolarHBondContact O-OG1 2.9Å
39	S	40.1	Very low	43.2	Very low	58 Å²	58	73 Å²	73	41%	0.406	44%	0.438	S	S	.	.	H	α-helix	trans	-64.7	-39.1	171.4	48.4	0	0	0	0	111.7	E36 T42 T43	E36-S39 VanDerWaalsContact C-OG 3.3Å; E36-S39 WeakPolarHBondContact CA-OG 3.31Å; E36-S39 PolarHBondContact O-OG 3.48Å; S39-T42 WeakPolarHBondContact CA-OG1 3.11Å; S39-T42 PolarHBondContact O-OG1 3.08Å; S39-T43 WeakPolarHBondContact O-CB 3.4Å; S39-T43 PolarHBondContact O-N 3.01Å; S39-T43 PolarHBondContact O-OG1 3.23Å
40	C	41.8	Very low	43.7	Very low	28 Å²	28	73.8 Å²	73.8	19%	0.189	43%	0.428	C	S	.	.	H	α-helix	trans	-66.1	-39.6	175.4	155.4	0	0	0	0	112.2	E36 D38 T43 S44 C112	E36-C40 WeakPolarHBondContact O-CB 2.79Å; E36-C40 PolarHBondContact O-N 2.85Å; D38-C40 VanDerWaalsContact C-N 3.35Å; C40-T43 PolarHBondContact O-N 3.22Å; C40-S44 VanDerWaalsContact O-CB 3.32Å; C40-S44 WeakPolarHBondContact O-CB 3.46Å; C40-S44 PolarHBondContact O-N 2.81Å; C40-S44 PolarHBondContact O-OG 2.79Å; C40-C112 HydrophobicContact CB-CB 4.5Å; C40-C112 WeakPolarHBondContact CB-SG 3.26Å; C40-C112 WeakPolarHBondContact SG-CB 3.36Å; C40-C112 CovalentContact SG-SG 2.03Å; C40-C112 PolarHBondContact SG-SG 2.8Å
41	L	44.4	Very low	44.1	Very low	7 Å²	7	69.8 Å²	69.8	4%	0.037	41%	0.408	C	S	.	.	H	α-helix	trans	-67.1	-49	178.5	179.6	62.6	0	0	0	111.5	Y22 S37 D38 T43 S44 V45 K88 V91	Y22-L41 HydrophobicContact CD1-CD2 3.89Å; Y22-L41 HydrophobicContact CD2-CD2 3.97Å; Y22-L41 HydrophobicContact CE1-CD2 3.94Å; Y22-L41 HydrophobicContact CE2-CD2 4.03Å; Y22-L41 HydrophobicContact CG-CD2 3.9Å; S37-L41 PolarHBondContact O-N 3.42Å; D38-L41 PolarHBondContact O-N 3.32Å; L41-T43 VanDerWaalsContact C-N 3.31Å; L41-T43 PolarHBondContact O-N 3.18Å; L41-S44 PolarHBondContact O-N 3.49Å; L41-V45 HydrophobicContact CD1-CG2 3.99Å; L41-V45 HydrophobicContact CG-CG2 4.39Å; L41-V45 WeakPolarHBondContact O-CB 3.25Å; L41-V45 VanDerWaalsContact O-CG2 3.23Å; L41-V45 WeakPolarHBondContact O-CG2 3.49Å; L41-V45 PolarHBondContact O-N 2.84Å; L41-K88 HydrophobicContact CD1-CG 4.11Å; L41-K88 HydrophobicContact CD2-CB 4.01Å; L41-K88 HydrophobicContact CD2-CD 4.38Å; L41-K88 HydrophobicContact CD2-CG 4.08Å; L41-V91 HydrophobicContact CD1-CG1 4.23Å
42	T	45.5	Very low	44.6	Very low	80 Å²	80	66.9 Å²	66.9	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-59.4	-43.8	175.9	43.9	0	0	0	0	110.9	D38 S39 S44 V45 T46	D38-T42 PolarHBondContact O-N 3.32Å; D38-T42 PolarHBondContact O-OG1 2.9Å; S39-T42 WeakPolarHBondContact CA-OG1 3.11Å; S39-T42 PolarHBondContact O-OG1 3.08Å; T42-S44 PolarHBondContact O-N 3.44Å; T42-V45 PolarHBondContact O-N 2.91Å; T42-T46 VanDerWaalsContact O-CB 3.26Å; T42-T46 WeakPolarHBondContact O-CB 3.27Å; T42-T46 PolarHBondContact O-N 3.41Å; T42-T46 PolarHBondContact O-OG1 2.89Å
43	T	46.1	Very low	45.1	Very low	92 Å²	92	67 Å²	67	56%	0.564	37%	0.373	S	S	*	.	H	α-helix	trans	-60.3	-46.6	175.6	-58.1	0	0	0	0	112.3	S39 C40 L41 T46 A47	S39-T43 WeakPolarHBondContact O-CB 3.4Å; S39-T43 PolarHBondContact O-N 3.01Å; S39-T43 PolarHBondContact O-OG1 3.23Å; C40-T43 PolarHBondContact O-N 3.22Å; L41-T43 VanDerWaalsContact C-N 3.31Å; L41-T43 PolarHBondContact O-N 3.18Å; T43-T46 PolarHBondContact O-N 2.86Å; T43-A47 VanDerWaalsContact O-CB 3.22Å; T43-A47 WeakPolarHBondContact O-CB 3.2Å; T43-A47 PolarHBondContact O-N 3.39Å
44	S	45.5	Very low	45.6	Very low	6 Å²	6	66.5 Å²	66.5	4%	0.042	37%	0.365	C	S	.	.	H	α-helix	trans	-66.2	-41.5	-178.8	-59.6	0	0	0	0	112	C40 L41 T42 A47 F48 C112	C40-S44 VanDerWaalsContact O-CB 3.32Å; C40-S44 WeakPolarHBondContact O-CB 3.46Å; C40-S44 PolarHBondContact O-N 2.81Å; C40-S44 PolarHBondContact O-OG 2.79Å; L41-S44 PolarHBondContact O-N 3.49Å; T42-S44 PolarHBondContact O-N 3.44Å; S44-A47 PolarHBondContact O-N 3.24Å; S44-F48 WeakPolarHBondContact O-CB 3.31Å; S44-F48 PolarHBondContact O-N 3.15Å; S44-C112 PolarHBondContact OG-SG 2.8Å
45	V	48.6	Very low	46	Very low	26 Å²	26	62.5 Å²	62.5	16%	0.158	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-45.6	177.2	171.1	0	0	0	0	110.6	L20 L41 T42 A47 F48 F49 V91	L20-V45 HydrophobicContact CD1-CG1 4.42Å; L41-V45 HydrophobicContact CD1-CG2 3.99Å; L41-V45 HydrophobicContact CG-CG2 4.39Å; L41-V45 WeakPolarHBondContact O-CB 3.25Å; L41-V45 VanDerWaalsContact O-CG2 3.23Å; L41-V45 WeakPolarHBondContact O-CG2 3.49Å; L41-V45 PolarHBondContact O-N 2.84Å; T42-V45 PolarHBondContact O-N 2.91Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 3.4Å; V45-F48 PolarHBondContact O-N 3.08Å; V45-F49 HydrophobicContact CG1-CD2 3.58Å; V45-F49 HydrophobicContact CG1-CE2 3.3Å; V45-F49 HydrophobicContact CG1-CZ 4.45Å; V45-F49 WeakPolarHBondContact O-CD2 3.26Å; V45-F49 PolarHBondContact O-N 2.73Å; V45-V91 HydrophobicContact CG2-CG1 3.53Å
46	T	47.6	Very low	46.6	Very low	93 Å²	93	58.7 Å²	58.7	57%	0.571	32%	0.321	S	S	*	.	H	α-helix	trans	-62.3	-40.5	174.9	-62.4	0	0	0	0	111.7	T42 T43 F49 R50	T42-T46 VanDerWaalsContact O-CB 3.26Å; T42-T46 WeakPolarHBondContact O-CB 3.27Å; T42-T46 PolarHBondContact O-N 3.41Å; T42-T46 PolarHBondContact O-OG1 2.89Å; T43-T46 PolarHBondContact O-N 2.86Å; T46-F49 PolarHBondContact O-N 2.65Å; T46-R50 VanDerWaalsContact O-CB 3.31Å; T46-R50 WeakPolarHBondContact O-CB 3.24Å; T46-R50 PolarHBondContact O-N 3.34Å
47	A	44.8	Very low	47.1	Very low	27 Å²	27	56.3 Å²	56.3	22%	0.223	31%	0.313	C	S	.	.	H	α-helix	trans	-64	-46.3	175.8	0	0	0	0	0	111.5	T43 S44 V45 F49 R50 V51 I109	T43-A47 VanDerWaalsContact O-CB 3.22Å; T43-A47 WeakPolarHBondContact O-CB 3.2Å; T43-A47 PolarHBondContact O-N 3.39Å; S44-A47 PolarHBondContact O-N 3.24Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 3.4Å; A47-F49 PolarHBondContact O-N 3.41Å; A47-R50 PolarHBondContact O-N 3.46Å; A47-V51 WeakPolarHBondContact O-CG2 2.89Å; A47-V51 PolarHBondContact O-N 3.44Å; A47-I109 HydrophobicContact CB-CG1 4.31Å
48	F	49.8	Very low	47.7	Very low	21 Å²	21	58.2 Å²	58.2	9%	0.092	33%	0.326	C	S	.	.	H	α-helix	trans	-55.4	-50.6	173.8	176.5	-99.5	0	0	0	110.9	S44 V45 R50 V51 M52 T95 C100 I106 I109	S44-F48 WeakPolarHBondContact O-CB 3.31Å; S44-F48 PolarHBondContact O-N 3.15Å; V45-F48 PolarHBondContact O-N 3.08Å; F48-R50 VanDerWaalsContact C-N 3.32Å; F48-R50 PolarHBondContact O-N 3.44Å; F48-V51 PolarHBondContact O-N 3.47Å; F48-M52 HydrophobicContact CD1-CG 3.98Å; F48-M52 HydrophobicContact CD2-CG 4.26Å; F48-M52 HydrophobicContact CE1-CG 3.62Å; F48-M52 HydrophobicContact CE1-SD 4.35Å; F48-M52 HydrophobicContact CE2-CG 3.93Å; F48-M52 HydrophobicContact CE2-SD 4.06Å; F48-M52 HydrophobicContact CG-CG 4.3Å; F48-M52 HydrophobicContact CZ-CG 3.59Å; F48-M52 HydrophobicContact CZ-SD 3.77Å; F48-M52 VanDerWaalsContact O-CB 3.31Å; F48-M52 WeakPolarHBondContact O-CB 3.47Å; F48-M52 WeakPolarHBondContact O-CG 3.23Å; F48-M52 PolarHBondContact O-N 2.93Å; F48-T95 HydrophobicContact CB-CG2 4.15Å; F48-T95 HydrophobicContact CD2-CG2 3.95Å; F48-T95 HydrophobicContact CG-CG2 4.34Å; F48-C100 HydrophobicContact CE2-CB 4.44Å; F48-I106 HydrophobicContact CD2-CD1 4.22Å; F48-I106 HydrophobicContact CE2-CD1 4.45Å; F48-I109 HydrophobicContact CB-CD1 3.98Å
49	F	50.9	Low	48.2	Very low	57 Å²	57	58.2 Å²	58.2	25%	0.25	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-38.8	177.8	-77.9	-58.5	0	0	0	113.1	L18 L20 V45 T46 A47 M52 C53	L18-F49 HydrophobicContact CB-CE1 3.6Å; L18-F49 HydrophobicContact CB-CZ 3.86Å; L18-F49 HydrophobicContact CD2-CE1 3.67Å; L18-F49 HydrophobicContact CD2-CZ 3.67Å; L18-F49 HydrophobicContact CG-CE1 4.25Å; L18-F49 HydrophobicContact CG-CZ 4.36Å; L20-F49 HydrophobicContact CD1-CE2 4.3Å; L20-F49 HydrophobicContact CD1-CZ 4.08Å; V45-F49 HydrophobicContact CG1-CD2 3.58Å; V45-F49 HydrophobicContact CG1-CE2 3.3Å; V45-F49 HydrophobicContact CG1-CZ 4.45Å; V45-F49 WeakPolarHBondContact O-CD2 3.26Å; V45-F49 PolarHBondContact O-N 2.73Å; T46-F49 PolarHBondContact O-N 2.65Å; A47-F49 PolarHBondContact O-N 3.41Å; F49-M52 PolarHBondContact O-N 3.45Å; F49-C53 VanDerWaalsContact O-CB 3.27Å; F49-C53 WeakPolarHBondContact O-CB 3.43Å; F49-C53 PolarHBondContact O-N 2.82Å; F49-C53 PolarHBondContact O-SG 2.87Å
50	R	47.6	Very low	49	Very low	188 Å²	188	58.4 Å²	58.4	71%	0.709	33%	0.327	S	S	*	.	H	α-helix	trans	-64.3	-46	178	-172.7	176.9	-177.6	-178.2	0.4	111.3	T46 A47 F48 T54	T46-R50 VanDerWaalsContact O-CB 3.31Å; T46-R50 WeakPolarHBondContact O-CB 3.24Å; T46-R50 PolarHBondContact O-N 3.34Å; A47-R50 PolarHBondContact O-N 3.46Å; F48-R50 VanDerWaalsContact C-N 3.32Å; F48-R50 PolarHBondContact O-N 3.44Å; R50-T54 VanDerWaalsContact O-CB 3.26Å; R50-T54 WeakPolarHBondContact O-CB 3.22Å; R50-T54 PolarHBondContact O-N 3.19Å; R50-T54 PolarHBondContact O-OG1 3.26Å
51	V	47.8	Very low	49.3	Very low	33 Å²	33	60.2 Å²	60.2	20%	0.2	34%	0.344	C	S	.	.	H	α-helix	trans	-64	-49.2	176.8	175	0	0	0	0	110	A47 F48 C53 T54 E55 F104 I106	A47-V51 WeakPolarHBondContact O-CG2 2.89Å; A47-V51 PolarHBondContact O-N 3.44Å; F48-V51 PolarHBondContact O-N 3.47Å; V51-C53 PolarHBondContact O-N 2.95Å; V51-T54 PolarHBondContact O-N 2.79Å; V51-E55 HydrophobicContact CG1-CG 3.93Å; V51-E55 VanDerWaalsContact O-CB 3.26Å; V51-E55 WeakPolarHBondContact O-CB 3.18Å; V51-E55 VanDerWaalsContact O-CG 3.25Å; V51-E55 WeakPolarHBondContact O-CG 3.2Å; V51-E55 PolarHBondContact O-N 3.28Å; V51-F104 HydrophobicContact CG1-CB 3.77Å; V51-F104 HydrophobicContact CG1-CG 4.47Å; V51-I106 HydrophobicContact CG1-CG1 4.33Å
52	M	52.7	Low	49.3	Very low	24 Å²	24	67.9 Å²	67.9	12%	0.118	37%	0.373	C	S	.	.	H	α-helix	trans	-52.9	-53.9	175.3	-75.2	-63.8	-54	0	0	111	F48 F49 T54 W56 L71 F104	F48-M52 HydrophobicContact CD1-CG 3.98Å; F48-M52 HydrophobicContact CD2-CG 4.26Å; F48-M52 HydrophobicContact CE1-CG 3.62Å; F48-M52 HydrophobicContact CE1-SD 4.35Å; F48-M52 HydrophobicContact CE2-CG 3.93Å; F48-M52 HydrophobicContact CE2-SD 4.06Å; F48-M52 HydrophobicContact CG-CG 4.3Å; F48-M52 HydrophobicContact CZ-CG 3.59Å; F48-M52 HydrophobicContact CZ-SD 3.77Å; F48-M52 VanDerWaalsContact O-CB 3.31Å; F48-M52 WeakPolarHBondContact O-CB 3.47Å; F48-M52 WeakPolarHBondContact O-CG 3.23Å; F48-M52 PolarHBondContact O-N 2.93Å; F49-M52 PolarHBondContact O-N 3.45Å; M52-T54 PolarHBondContact O-N 3.41Å; M52-W56 WeakPolarHBondContact O-CA 3.27Å; M52-W56 WeakPolarHBondContact O-CB 2.97Å; M52-W56 PolarHBondContact O-N 2.86Å; M52-L71 HydrophobicContact CE-CD2 3.68Å; M52-L71 HydrophobicContact SD-CD2 4.42Å; M52-F104 HydrophobicContact CE-CE1 3.99Å; M52-F104 HydrophobicContact CE-CE2 3.77Å; M52-F104 HydrophobicContact CE-CZ 3.38Å; M52-F104 HydrophobicContact SD-CD1 3.98Å; M52-F104 HydrophobicContact SD-CD2 3.49Å; M52-F104 WeakPolarHBondContact SD-CD2 3.38Å; M52-F104 HydrophobicContact SD-CE1 3.63Å; M52-F104 HydrophobicContact SD-CE2 3.13Å; M52-F104 WeakPolarHBondContact SD-CE2 3.42Å; M52-F104 HydrophobicContact SD-CG 3.93Å; M52-F104 HydrophobicContact SD-CZ 3.21Å; M52-F104 WeakPolarHBondContact SD-CZ 3.42Å
53	C	50.3	Low	49.8	Very low	71 Å²	71	67.7 Å²	67.7	48%	0.48	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-40.5	-179.7	-71	0	0	0	0	112.4	F49 V51 L57	F49-C53 VanDerWaalsContact O-CB 3.27Å; F49-C53 WeakPolarHBondContact O-CB 3.43Å; F49-C53 PolarHBondContact O-N 2.82Å; F49-C53 PolarHBondContact O-SG 2.87Å; V51-C53 PolarHBondContact O-N 2.95Å; C53-L57 VanDerWaalsContact O-CB 3.31Å; C53-L57 WeakPolarHBondContact O-CB 3.49Å; C53-L57 WeakPolarHBondContact O-CD1 3.27Å; C53-L57 WeakPolarHBondContact O-CG 3.48Å; C53-L57 PolarHBondContact O-N 3.45Å
54	T	49.4	Very low	50.1	Low	82 Å²	82	65.1 Å²	65.1	50%	0.503	35%	0.35	S	S	.	.	H	α-helix	trans	-67.9	-50.4	-178.3	-55.9	0	0	0	0	111.4	R50 V51 M52 W56 L57 S58	R50-T54 VanDerWaalsContact O-CB 3.26Å; R50-T54 WeakPolarHBondContact O-CB 3.22Å; R50-T54 PolarHBondContact O-N 3.19Å; R50-T54 PolarHBondContact O-OG1 3.26Å; V51-T54 PolarHBondContact O-N 2.79Å; M52-T54 PolarHBondContact O-N 3.41Å; T54-W56 VanDerWaalsContact C-N 3.33Å; T54-L57 PolarHBondContact O-N 2.92Å; T54-S58 PolarHBondContact O-N 2.92Å; T54-S58 PolarHBondContact O-OG 3.15Å
55	E	52.1	Low	50.2	Low	68 Å²	68	70.6 Å²	70.6	32%	0.318	38%	0.375	S	S	.	.	H	α-helix	trans	-67.1	-37	177.9	-66.6	-70.9	152.9	0	0	110.8	V51 S58 M59 F104	V51-E55 HydrophobicContact CG1-CG 3.93Å; V51-E55 VanDerWaalsContact O-CB 3.26Å; V51-E55 WeakPolarHBondContact O-CB 3.18Å; V51-E55 VanDerWaalsContact O-CG 3.25Å; V51-E55 WeakPolarHBondContact O-CG 3.2Å; V51-E55 PolarHBondContact O-N 3.28Å; E55-S58 WeakPolarHBondContact CA-OG 3.47Å; E55-S58 PolarHBondContact O-N 3.42Å; E55-S58 PolarHBondContact O-OG 2.88Å; E55-M59 HydrophobicContact CB-CE 3.96Å; E55-M59 WeakPolarHBondContact O-CE 2.96Å; E55-M59 VanDerWaalsContact O-CG 3.24Å; E55-M59 WeakPolarHBondContact O-CG 3.22Å; E55-M59 PolarHBondContact O-N 3.2Å; E55-F104 HydrophobicContact CB-CD1 3.55Å; E55-F104 HydrophobicContact CB-CE1 3.89Å; E55-F104 HydrophobicContact CG-CD1 3.89Å
56	W	53.5	Low	50.2	Low	23 Å²	23	71.9 Å²	71.9	9%	0.087	38%	0.383	C	S	.	.	H	α-helix	trans	-67	-41.7	177.3	-169.4	-87.7	0	0	0	112	F16 M52 T54 S58 M59 K64 F68	F16-W56 AromaticContact CD2-NE1 3.75Å; F16-W56 HydrophobicContact CE1-CH2 4.13Å; F16-W56 AromaticContact CE1-CZ2 3.82Å; F16-W56 HydrophobicContact CE1-CZ2 3.82Å; F16-W56 AromaticContact CE2-CD1 3.78Å; F16-W56 HydrophobicContact CE2-CD2 4.14Å; F16-W56 AromaticContact CE2-CE2 3.23Å; F16-W56 HydrophobicContact CE2-CG 4.43Å; F16-W56 HydrophobicContact CE2-CH2 4.48Å; F16-W56 AromaticContact CE2-CZ2 3.46Å; F16-W56 HydrophobicContact CE2-CZ2 3.46Å; F16-W56 VanDerWaalsContact CE2-CZ2 3.46Å; F16-W56 AromaticContact CE2-NE1 2.98Å; F16-W56 HydrophobicContact CZ-CD2 4.26Å; F16-W56 AromaticContact CZ-CE2 3.3Å; F16-W56 AromaticContact CZ-CH2 3.72Å; F16-W56 HydrophobicContact CZ-CH2 3.72Å; F16-W56 AromaticContact CZ-CZ2 2.99Å; F16-W56 HydrophobicContact CZ-CZ2 2.99Å; F16-W56 AromaticContact CZ-NE1 3.6Å; M52-W56 WeakPolarHBondContact O-CA 3.27Å; M52-W56 WeakPolarHBondContact O-CB 2.97Å; M52-W56 PolarHBondContact O-N 2.86Å; T54-W56 VanDerWaalsContact C-N 3.33Å; W56-S58 PolarHBondContact O-N 2.85Å; W56-M59 PolarHBondContact O-N 2.85Å; W56-K64 HydrophobicContact CD2-CB 4.49Å; W56-K64 HydrophobicContact CD2-CG 3.98Å; W56-K64 HydrophobicContact CE3-CG 4.48Å; W56-K64 HydrophobicContact CG-CG 4.44Å; W56-K64 VanDerWaalsContact CH2-C 3.41Å; W56-K64 HydrophobicContact CH2-CB 3.65Å; W56-K64 HydrophobicContact CH2-CG 4.19Å; W56-K64 WeakPolarHBondContact CH2-O 3.29Å; W56-K64 HydrophobicContact CZ2-CB 3.36Å; W56-K64 HydrophobicContact CZ2-CD 4.02Å; W56-K64 HydrophobicContact CZ2-CG 3.63Å; W56-K64 HydrophobicContact CZ3-CB 4.32Å; W56-K64 VanDerWaalsContact CZ3-O 3.27Å; W56-K64 WeakPolarHBondContact CZ3-O 3.49Å; W56-K64 WeakPolarHBondContact O-CE 3.37Å; W56-F68 HydrophobicContact CH2-CB 3.59Å; W56-F68 HydrophobicContact CH2-CD2 4.32Å; W56-F68 HydrophobicContact CH2-CG 4.27Å; W56-F68 HydrophobicContact CZ3-CB 3.82Å
57	L	50	Low	50.5	Low	121 Å²	121	70.2 Å²	70.2	63%	0.634	37%	0.368	S	S	*	.	H	α-helix	trans	-65.3	-27.1	176.7	-73.4	170.8	0	0	0	112.5	C53 T54	C53-L57 VanDerWaalsContact O-CB 3.31Å; C53-L57 WeakPolarHBondContact O-CB 3.49Å; C53-L57 WeakPolarHBondContact O-CD1 3.27Å; C53-L57 WeakPolarHBondContact O-CG 3.48Å; C53-L57 PolarHBondContact O-N 3.45Å; T54-L57 PolarHBondContact O-N 2.92Å
58	S	52.9	Low	50.8	Low	88 Å²	88	70.1 Å²	70.1	62%	0.615	36%	0.362	S	S	*	.	H	α-helix	trans	-84.7	-11.4	177.5	67.3	0	0	0	0	114.1	T54 E55 W56	T54-S58 PolarHBondContact O-N 2.92Å; T54-S58 PolarHBondContact O-OG 3.15Å; E55-S58 WeakPolarHBondContact CA-OG 3.47Å; E55-S58 PolarHBondContact O-N 3.42Å; E55-S58 PolarHBondContact O-OG 2.88Å; W56-S58 PolarHBondContact O-N 2.85Å
59	M	52	Low	50.7	Low	29 Å²	29	75.1 Å²	75.1	14%	0.143	38%	0.384	C	S	.	.	S	Bend	trans	-83.2	144.9	179.8	-74.7	174.9	-149.4	0	0	113.6	E55 W56 N63 K64 K67 F104	E55-M59 HydrophobicContact CB-CE 3.96Å; E55-M59 WeakPolarHBondContact O-CE 2.96Å; E55-M59 VanDerWaalsContact O-CG 3.24Å; E55-M59 WeakPolarHBondContact O-CG 3.22Å; E55-M59 PolarHBondContact O-N 3.2Å; W56-M59 PolarHBondContact O-N 2.85Å; M59-N63 HydrophobicContact CB-CB 4.25Å; M59-N63 HydrophobicContact CG-CB 4.39Å; M59-K64 HydrophobicContact CB-CG 3.72Å; M59-K64 WeakPolarHBondContact O-CE 3.41Å; M59-K67 HydrophobicContact CE-CB 4.46Å; M59-K67 HydrophobicContact CE-CG 4.2Å; M59-K67 HydrophobicContact SD-CB 3.98Å; M59-K67 HydrophobicContact SD-CG 3.79Å; M59-F104 HydrophobicContact CE-CD1 4.31Å; M59-F104 HydrophobicContact CE-CE1 3.67Å; M59-F104 HydrophobicContact CE-CZ 4.4Å
60	S	55.6	Low	50.7	Low	63 Å²	63	76.3 Å²	76.3	44%	0.441	39%	0.391	S	S	.	.			trans	-65.1	155	165.4	69.5	0	0	0	0	111	Y62 N63 K64	S60-Y62 PolarHBondContact O-N 3.49Å; S60-N63 PolarHBondContact O-N 3.39Å; S60-N63 WeakPolarHBondContact OG-CB 3.05Å; S60-N63 VanDerWaalsContact OG-CG 3.25Å; S60-N63 PolarHBondContact OG-N 3.32Å; S60-N63 PolarHBondContact OG-ND2 2.79Å; S60-K64 WeakPolarHBondContact O-CG 3.26Å; S60-K64 PolarHBondContact O-N 3.27Å
61	A	49.1	Very low	51	Low	66 Å²	66	68 Å²	68	55%	0.545	36%	0.361	S	S	.	.	H	α-helix	trans	-54.7	-36.9	-178.9	0	0	0	0	0	113.7	K64 E65	A61-K64 WeakPolarHBondContact O-CB 3.31Å; A61-E65 PolarHBondContact O-N 3.03Å
62	Y	43.8	Very low	51.1	Low	167 Å²	167	67.6 Å²	67.6	66%	0.655	36%	0.357	S	S	*	.	H	α-helix	trans	-67.6	-44.5	175.6	-179.8	-99.8	0	0	0	112.4	S60 K64 E65 V66	S60-Y62 PolarHBondContact O-N 3.49Å; Y62-K64 VanDerWaalsContact C-N 3.29Å; Y62-K64 PolarHBondContact O-N 3.4Å; Y62-E65 PolarHBondContact O-N 3.45Å; Y62-V66 HydrophobicContact CE1-CG2 4.16Å; Y62-V66 WeakPolarHBondContact O-CG2 3.21Å; Y62-V66 PolarHBondContact O-N 3.22Å
63	N	56	Low	50.8	Low	76 Å²	76	69 Å²	69	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-67.8	-32.4	179.8	-71.1	-14.9	0	0	0	111.9	M59 S60 K67	M59-N63 HydrophobicContact CB-CB 4.25Å; M59-N63 HydrophobicContact CG-CB 4.39Å; S60-N63 PolarHBondContact O-N 3.39Å; S60-N63 WeakPolarHBondContact OG-CB 3.05Å; S60-N63 VanDerWaalsContact OG-CG 3.25Å; S60-N63 PolarHBondContact OG-N 3.32Å; S60-N63 PolarHBondContact OG-ND2 2.79Å; N63-K67 WeakPolarHBondContact O-CB 3.13Å; N63-K67 WeakPolarHBondContact O-CG 3.19Å; N63-K67 PolarHBondContact O-N 2.75Å
64	K	52.2	Low	50.5	Low	39 Å²	39	66.4 Å²	66.4	17%	0.17	35%	0.351	C	S	.	.	H	α-helix	trans	-56	-55.5	173.2	-80.1	175.5	176.2	167.2	0	111.4	W56 M59 S60 A61 Y62 V66 K67 F68	W56-K64 HydrophobicContact CD2-CB 4.49Å; W56-K64 HydrophobicContact CD2-CG 3.98Å; W56-K64 HydrophobicContact CE3-CG 4.48Å; W56-K64 HydrophobicContact CG-CG 4.44Å; W56-K64 VanDerWaalsContact CH2-C 3.41Å; W56-K64 HydrophobicContact CH2-CB 3.65Å; W56-K64 HydrophobicContact CH2-CG 4.19Å; W56-K64 WeakPolarHBondContact CH2-O 3.29Å; W56-K64 HydrophobicContact CZ2-CB 3.36Å; W56-K64 HydrophobicContact CZ2-CD 4.02Å; W56-K64 HydrophobicContact CZ2-CG 3.63Å; W56-K64 HydrophobicContact CZ3-CB 4.32Å; W56-K64 VanDerWaalsContact CZ3-O 3.27Å; W56-K64 WeakPolarHBondContact CZ3-O 3.49Å; W56-K64 WeakPolarHBondContact O-CE 3.37Å; M59-K64 HydrophobicContact CB-CG 3.72Å; M59-K64 WeakPolarHBondContact O-CE 3.41Å; S60-K64 WeakPolarHBondContact O-CG 3.26Å; S60-K64 PolarHBondContact O-N 3.27Å; A61-K64 WeakPolarHBondContact O-CB 3.31Å; Y62-K64 VanDerWaalsContact C-N 3.29Å; Y62-K64 PolarHBondContact O-N 3.4Å; K64-V66 PolarHBondContact O-N 3.39Å; K64-K67 PolarHBondContact O-N 3.42Å; K64-F68 VanDerWaalsContact O-CB 3.23Å; K64-F68 WeakPolarHBondContact O-CB 3.35Å; K64-F68 PolarHBondContact O-N 2.77Å
65	E	46.9	Very low	50.4	Low	120 Å²	120	64.2 Å²	64.2	56%	0.561	34%	0.337	S	S	*	.	H	α-helix	trans	-60.6	-47.3	-179.1	-68.9	-179	175.8	0	0	111.9	A61 Y62 F68 F69	A61-E65 PolarHBondContact O-N 3.03Å; Y62-E65 PolarHBondContact O-N 3.45Å; E65-F68 WeakPolarHBondContact O-CB 3.37Å; E65-F68 PolarHBondContact O-N 2.87Å; E65-F69 HydrophobicContact CB-CE2 4.42Å; E65-F69 WeakPolarHBondContact O-CD2 3.42Å; E65-F69 PolarHBondContact O-N 3.49Å
66	V	49.1	Very low	49.9	Very low	53 Å²	53	68.7 Å²	68.7	32%	0.321	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-49.5	179	175.7	0	0	0	0	111.2	Y62 K64 F68 F69 E70	Y62-V66 HydrophobicContact CE1-CG2 4.16Å; Y62-V66 WeakPolarHBondContact O-CG2 3.21Å; Y62-V66 PolarHBondContact O-N 3.22Å; K64-V66 PolarHBondContact O-N 3.39Å; V66-F68 PolarHBondContact O-N 3.29Å; V66-F69 PolarHBondContact O-N 3.03Å; V66-F69 VanDerWaalsContact O-N 3.15Å; V66-E70 HydrophobicContact CG1-CG 4.44Å; V66-E70 WeakPolarHBondContact O-CG 3.46Å; V66-E70 PolarHBondContact O-N 2.95Å
67	K	53.9	Low	49.2	Very low	59 Å²	59	77.8 Å²	77.8	26%	0.257	39%	0.389	S	S	.	.	H	α-helix	trans	-63.4	-30.5	179.4	-72.8	-76.7	164.3	-149.5	0	112.2	M59 N63 K64 E70 L71 L103	M59-K67 HydrophobicContact CE-CB 4.46Å; M59-K67 HydrophobicContact CE-CG 4.2Å; M59-K67 HydrophobicContact SD-CB 3.98Å; M59-K67 HydrophobicContact SD-CG 3.79Å; N63-K67 WeakPolarHBondContact O-CB 3.13Å; N63-K67 WeakPolarHBondContact O-CG 3.19Å; N63-K67 PolarHBondContact O-N 2.75Å; K64-K67 PolarHBondContact O-N 3.42Å; K67-E70 WeakPolarHBondContact CD-OE2 3.39Å; K67-E70 WeakPolarHBondContact CE-OE2 3.14Å; K67-E70 IonicContact NZ-OE2 2.65Å; K67-E70 PolarHBondContact NZ-OE2 3.02Å; K67-L71 VanDerWaalsContact O-CB 3.29Å; K67-L71 WeakPolarHBondContact O-CB 3.04Å; K67-L71 PolarHBondContact O-N 2.03Å; K67-L103 HydrophobicContact CD-CD2 3.67Å
68	F	50.8	Low	48.9	Very low	24 Å²	24	77.3 Å²	77.3	11%	0.105	38%	0.384	C	S	.	.	H	α-helix	trans	-72.7	-41.9	173.1	178	-99.5	0	0	0	113.2	F16 W56 K64 E65 V66 E70 L71 I72 F146	F16-F68 HydrophobicContact CE1-CD2 4.22Å; F16-F68 HydrophobicContact CE1-CE2 4.19Å; W56-F68 HydrophobicContact CH2-CB 3.59Å; W56-F68 HydrophobicContact CH2-CD2 4.32Å; W56-F68 HydrophobicContact CH2-CG 4.27Å; W56-F68 HydrophobicContact CZ3-CB 3.82Å; K64-F68 VanDerWaalsContact O-CB 3.23Å; K64-F68 WeakPolarHBondContact O-CB 3.35Å; K64-F68 PolarHBondContact O-N 2.77Å; E65-F68 WeakPolarHBondContact O-CB 3.37Å; E65-F68 PolarHBondContact O-N 2.87Å; V66-F68 PolarHBondContact O-N 3.29Å; F68-E70 VanDerWaalsContact C-N 3.29Å; F68-E70 PolarHBondContact O-N 2.87Å; F68-L71 WeakPolarHBondContact O-CB 3.5Å; F68-L71 PolarHBondContact O-N 2.78Å; F68-I72 HydrophobicContact CD1-CD1 3.85Å; F68-I72 HydrophobicContact CD1-CG1 4.46Å; F68-I72 HydrophobicContact CE1-CD1 3.19Å; F68-I72 HydrophobicContact CE1-CG1 4.15Å; F68-I72 HydrophobicContact CE2-CD1 4.06Å; F68-I72 HydrophobicContact CE2-CG1 4.38Å; F68-I72 HydrophobicContact CZ-CD1 3.31Å; F68-I72 HydrophobicContact CZ-CG1 4.1Å; F68-I72 WeakPolarHBondContact O-CB 3.38Å; F68-I72 WeakPolarHBondContact O-CG1 3.06Å; F68-I72 PolarHBondContact O-N 2.91Å; F68-F146 HydrophobicContact CD1-CE2 4.44Å; F68-F146 HydrophobicContact CD1-CZ 4.41Å; F68-F146 HydrophobicContact CE1-CD1 4.26Å; F68-F146 HydrophobicContact CE1-CD2 4.1Å; F68-F146 AromaticContact CE1-CE1 3.74Å; F68-F146 HydrophobicContact CE1-CE1 3.74Å; F68-F146 AromaticContact CE1-CE2 3.54Å; F68-F146 HydrophobicContact CE1-CE2 3.54Å; F68-F146 HydrophobicContact CE1-CG 4.43Å; F68-F146 AromaticContact CE1-CZ 3.35Å; F68-F146 HydrophobicContact CE1-CZ 3.35Å; F68-F146 AromaticContact CE2-CD2 3.85Å; F68-F146 HydrophobicContact CE2-CD2 3.85Å; F68-F146 HydrophobicContact CE2-CE2 4.04Å; F68-F146 HydrophobicContact CE2-CG 4.2Å; F68-F146 HydrophobicContact CZ-CB 4.41Å; F68-F146 AromaticContact CZ-CD1 3.67Å; F68-F146 HydrophobicContact CZ-CD1 3.67Å; F68-F146 AromaticContact CZ-CD2 3.36Å; F68-F146 HydrophobicContact CZ-CD2 3.36Å; F68-F146 AromaticContact CZ-CE1 3.63Å; F68-F146 HydrophobicContact CZ-CE1 3.63Å; F68-F146 AromaticContact CZ-CE2 3.3Å; F68-F146 HydrophobicContact CZ-CE2 3.3Å; F68-F146 AromaticContact CZ-CG 3.54Å; F68-F146 HydrophobicContact CZ-CG 3.54Å; F68-F146 AromaticContact CZ-CZ 3.45Å; F68-F146 HydrophobicContact CZ-CZ 3.45Å; F68-F146 VanDerWaalsContact CZ-CZ 3.45Å
69	F	47.3	Very low	48.5	Very low	126 Å²	126	74.3 Å²	74.3	55%	0.553	36%	0.362	S	S	*	.	H	α-helix	trans	-64.4	-36.6	172.4	-76.1	-63.6	0	0	0	111.7	E65 V66 S73	E65-F69 HydrophobicContact CB-CE2 4.42Å; E65-F69 WeakPolarHBondContact O-CD2 3.42Å; E65-F69 PolarHBondContact O-N 3.49Å; V66-F69 PolarHBondContact O-N 3.03Å; V66-F69 VanDerWaalsContact O-N 3.15Å; F69-S73 WeakPolarHBondContact O-CB 3.41Å; F69-S73 PolarHBondContact O-N 3.48Å; F69-S73 PolarHBondContact O-OG 3.5Å
70	E	52.6	Low	47.8	Very low	82 Å²	82	81.8 Å²	81.8	38%	0.383	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-43.3	172	-69.7	177.7	160.7	0	0	111.3	V66 K67 F68 S73 C74 L103	V66-E70 HydrophobicContact CG1-CG 4.44Å; V66-E70 WeakPolarHBondContact O-CG 3.46Å; V66-E70 PolarHBondContact O-N 2.95Å; K67-E70 WeakPolarHBondContact CD-OE2 3.39Å; K67-E70 WeakPolarHBondContact CE-OE2 3.14Å; K67-E70 IonicContact NZ-OE2 2.65Å; K67-E70 PolarHBondContact NZ-OE2 3.02Å; F68-E70 VanDerWaalsContact C-N 3.29Å; F68-E70 PolarHBondContact O-N 2.87Å; E70-S73 PolarHBondContact O-N 3.48Å; E70-C74 WeakPolarHBondContact O-CB 3.34Å; E70-C74 PolarHBondContact O-N 2.8Å; E70-L103 HydrophobicContact CB-CD1 4.16Å; E70-L103 HydrophobicContact CB-CD2 3.47Å; E70-L103 VanDerWaalsContact CB-CD2 3.47Å; E70-L103 HydrophobicContact CB-CG 4.46Å; E70-L103 HydrophobicContact CG-CD2 4.26Å; E70-L103 WeakPolarHBondContact OE2-CD2 3.32Å
71	L	53.5	Low	47.2	Very low	15 Å²	15	81.4 Å²	81.4	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-59.9	-52.6	175.2	-178.9	69	0	0	0	110.8	M52 K67 F68 S73 C74 L75 L103 F104	M52-L71 HydrophobicContact CE-CD2 3.68Å; M52-L71 HydrophobicContact SD-CD2 4.42Å; K67-L71 VanDerWaalsContact O-CB 3.29Å; K67-L71 WeakPolarHBondContact O-CB 3.04Å; K67-L71 PolarHBondContact O-N 2.03Å; F68-L71 WeakPolarHBondContact O-CB 3.5Å; F68-L71 PolarHBondContact O-N 2.78Å; L71-S73 VanDerWaalsContact C-N 3.33Å; L71-S73 PolarHBondContact O-N 3.02Å; L71-C74 PolarHBondContact O-N 2.9Å; L71-L75 HydrophobicContact CD1-CD1 4.46Å; L71-L75 HydrophobicContact CG-CD1 4.05Å; L71-L75 HydrophobicContact CG-CG 4.49Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 WeakPolarHBondContact O-CG 3.25Å; L71-L75 PolarHBondContact O-N 3.44Å; L71-L103 HydrophobicContact CB-CD1 4.13Å; L71-L103 HydrophobicContact CD1-CD1 4.3Å; L71-F104 HydrophobicContact CD1-CE2 4.35Å
72	I	48.8	Very low	46.6	Very low	24 Å²	24	80.7 Å²	80.7	12%	0.123	38%	0.378	C	S	.	.	H	α-helix	trans	-60.2	-44.2	176.5	-71.3	-176.4	0	0	0	110.9	F68 C74 L75 K76	F68-I72 HydrophobicContact CD1-CD1 3.85Å; F68-I72 HydrophobicContact CD1-CG1 4.46Å; F68-I72 HydrophobicContact CE1-CD1 3.19Å; F68-I72 HydrophobicContact CE1-CG1 4.15Å; F68-I72 HydrophobicContact CE2-CD1 4.06Å; F68-I72 HydrophobicContact CE2-CG1 4.38Å; F68-I72 HydrophobicContact CZ-CD1 3.31Å; F68-I72 HydrophobicContact CZ-CG1 4.1Å; F68-I72 WeakPolarHBondContact O-CB 3.38Å; F68-I72 WeakPolarHBondContact O-CG1 3.06Å; F68-I72 PolarHBondContact O-N 2.91Å; I72-C74 PolarHBondContact O-N 2.85Å; I72-L75 PolarHBondContact O-N 2.81Å; I72-K76 HydrophobicContact CG2-CD 3.91Å; I72-K76 HydrophobicContact CG2-CG 4.26Å; I72-K76 WeakPolarHBondContact O-CB 3.22Å; I72-K76 VanDerWaalsContact O-CG 3.28Å; I72-K76 WeakPolarHBondContact O-CG 3.5Å; I72-K76 PolarHBondContact O-N 3.34Å
73	S	46	Very low	46.3	Very low	54 Å²	54	76.7 Å²	76.7	38%	0.378	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-34.9	179.8	-65.2	0	0	0	0	111.2	F69 E70 L71 R77	F69-S73 WeakPolarHBondContact O-CB 3.41Å; F69-S73 PolarHBondContact O-N 3.48Å; F69-S73 PolarHBondContact O-OG 3.5Å; E70-S73 PolarHBondContact O-N 3.48Å; L71-S73 VanDerWaalsContact C-N 3.33Å; L71-S73 PolarHBondContact O-N 3.02Å; S73-R77 VanDerWaalsContact O-CB 3.31Å; S73-R77 WeakPolarHBondContact O-CB 3.23Å; S73-R77 WeakPolarHBondContact O-CG 3.34Å; S73-R77 PolarHBondContact O-N 3.23Å; S73-R77 VanDerWaalsContact O-N 3.1Å
74	C	45.4	Very low	45.5	Very low	15 Å²	15	81.8 Å²	81.8	10%	0.101	40%	0.398	C	S	.	.	H	α-helix	trans	-71.2	-48.2	172.8	-173	0	0	0	0	112.3	E70 L71 I72 K76 R77 E78 C99	E70-C74 WeakPolarHBondContact O-CB 3.34Å; E70-C74 PolarHBondContact O-N 2.8Å; L71-C74 PolarHBondContact O-N 2.9Å; I72-C74 PolarHBondContact O-N 2.85Å; C74-K76 PolarHBondContact O-N 3.2Å; C74-K76 VanDerWaalsContact O-N 3.12Å; C74-R77 PolarHBondContact O-N 3.43Å; C74-E78 PolarHBondContact O-N 3.25Å; C74-C99 HydrophobicContact CB-CB 3.36Å; C74-C99 WeakPolarHBondContact CB-SG 3.34Å; C74-C99 WeakPolarHBondContact SG-CB 3.11Å; C74-C99 CovalentContact SG-SG 1.94Å; C74-C99 PolarHBondContact SG-SG 3.38Å
75	L	46.2	Very low	45	Very low	37 Å²	37	80.8 Å²	80.8	19%	0.194	40%	0.395	C	S	.	.	H	α-helix	trans	-56.2	-31.3	176.6	-67.9	172.4	0	0	0	112.2	L71 I72 I94	L71-L75 HydrophobicContact CD1-CD1 4.46Å; L71-L75 HydrophobicContact CG-CD1 4.05Å; L71-L75 HydrophobicContact CG-CG 4.49Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 WeakPolarHBondContact O-CG 3.25Å; L71-L75 PolarHBondContact O-N 3.44Å; I72-L75 PolarHBondContact O-N 2.81Å; L75-I94 HydrophobicContact CD2-CB 4.01Å; L75-I94 HydrophobicContact CD2-CD1 4.26Å; L75-I94 HydrophobicContact CD2-CG1 3.79Å; L75-I94 HydrophobicContact CD2-CG2 3.28Å
76	K	43.3	Very low	44.9	Very low	161 Å²	161	78.7 Å²	78.7	70%	0.7	39%	0.39	S	S	*	.	H	α-helix	trans	-77.5	-28.5	174.2	-76.3	-179.5	177.3	-176.8	0	113.9	I72 C74	I72-K76 HydrophobicContact CG2-CD 3.91Å; I72-K76 HydrophobicContact CG2-CG 4.26Å; I72-K76 WeakPolarHBondContact O-CB 3.22Å; I72-K76 VanDerWaalsContact O-CG 3.28Å; I72-K76 WeakPolarHBondContact O-CG 3.5Å; I72-K76 PolarHBondContact O-N 3.34Å; C74-K76 PolarHBondContact O-N 3.2Å; C74-K76 VanDerWaalsContact O-N 3.12Å
77	R	37.2	Very low	44.5	Very low	214 Å²	214	79.1 Å²	79.1	81%	0.808	39%	0.393	S	S	*	.	H	α-helix	trans	-94.4	-26.3	-175.4	-76.8	179.8	-177.7	-167.4	2.4	113.2	S73 C74	S73-R77 VanDerWaalsContact O-CB 3.31Å; S73-R77 WeakPolarHBondContact O-CB 3.23Å; S73-R77 WeakPolarHBondContact O-CG 3.34Å; S73-R77 PolarHBondContact O-N 3.23Å; S73-R77 VanDerWaalsContact O-N 3.1Å; C74-R77 PolarHBondContact O-N 3.43Å
78	E	45.4	Very low	44	Very low	111 Å²	111	78.6 Å²	78.6	52%	0.519	39%	0.39	S	S	.	.	S	Bend	trans	-149.7	94.4	-168.7	-76.9	-84.1	151.9	0	0	106.2	C74	C74-E78 PolarHBondContact O-N 3.25Å
79	P	43.4	Very low	43.8	Very low	25 Å²	25	81.3 Å²	81.3	16%	0.162	40%	0.403	C	S	.	.				-137.6	147.3	58.6	4.8	23.5	0	0	0	113.9	F81 K93 I94	P79-F81 VanDerWaalsContact C-N 3.3Å; P79-F81 HydrophobicContact CB-CD1 4.23Å; P79-F81 HydrophobicContact CB-CE1 3.92Å; P79-F81 HydrophobicContact CB-CZ 4.17Å; P79-F81 HydrophobicContact CG-CD1 4.2Å; P79-F81 HydrophobicContact CG-CE1 3.4Å; P79-F81 VanDerWaalsContact CG-CE1 3.4Å; P79-F81 HydrophobicContact CG-CE2 4.07Å; P79-F81 HydrophobicContact CG-CZ 3.34Å; P79-F81 WeakPolarHBondContact O-CD2 3.49Å; P79-F81 PolarHBondContact O-N 3.48Å; P79-K93 HydrophobicContact CB-CB 3.91Å; P79-K93 HydrophobicContact CB-CD 4.11Å; P79-K93 HydrophobicContact CG-CB 3.82Å; P79-I94 HydrophobicContact CG-CG1 4.23Å
80	Q	37.4	Very low	43.8	Very low	187 Å²	187	76.6 Å²	76.6	87%	0.874	38%	0.382	S	S	*	.			trans	-66.3	95.9	159.8	-68.9	-172.2	11	0	0	108.2	S82	Q80-S82 PolarHBondContact O-N 2.82Å
81	F	43.2	Very low	43.5	Very low	55 Å²	55	73.2 Å²	73.2	24%	0.241	37%	0.367	C	S	.	.			trans	-68.7	115.8	170.3	-58.1	-63.3	0	0	0	107.9	P79 D85 R90 I94 I155	P79-F81 VanDerWaalsContact C-N 3.3Å; P79-F81 HydrophobicContact CB-CD1 4.23Å; P79-F81 HydrophobicContact CB-CE1 3.92Å; P79-F81 HydrophobicContact CB-CZ 4.17Å; P79-F81 HydrophobicContact CG-CD1 4.2Å; P79-F81 HydrophobicContact CG-CE1 3.4Å; P79-F81 VanDerWaalsContact CG-CE1 3.4Å; P79-F81 HydrophobicContact CG-CE2 4.07Å; P79-F81 HydrophobicContact CG-CZ 3.34Å; P79-F81 WeakPolarHBondContact O-CD2 3.49Å; P79-F81 PolarHBondContact O-N 3.48Å; F81-D85 VanDerWaalsContact CA-OD2 3.26Å; F81-D85 WeakPolarHBondContact CA-OD2 3.43Å; F81-R90 HydrophobicContact CB-CG 4.48Å; F81-R90 HydrophobicContact CD1-CB 3.6Å; F81-R90 HydrophobicContact CD1-CG 3.38Å; F81-R90 VanDerWaalsContact CE1-CA 3.47Å; F81-R90 HydrophobicContact CE1-CB 3.42Å; F81-R90 VanDerWaalsContact CE1-CB 3.42Å; F81-R90 HydrophobicContact CE1-CG 3.8Å; F81-R90 HydrophobicContact CG-CG 4.09Å; F81-R90 HydrophobicContact CZ-CB 4.32Å; F81-I94 HydrophobicContact CE1-CD1 4.42Å; F81-I94 HydrophobicContact CE1-CG1 4.3Å; F81-I94 HydrophobicContact CZ-CD1 3.85Å; F81-I94 HydrophobicContact CZ-CG1 3.84Å; F81-I155 HydrophobicContact CD2-CD1 4.1Å; F81-I155 HydrophobicContact CE2-CD1 3.37Å; F81-I155 HydrophobicContact CE2-CG1 4.47Å; F81-I155 HydrophobicContact CZ-CD1 4.13Å
82	S	37.3	Very low	43.2	Very low	51 Å²	51	73.7 Å²	73.7	36%	0.357	37%	0.37	S	S	.	.			trans	-66.2	143.8	163.4	-169.7	0	0	0	0	107.9	Q80 K84 D85	Q80-S82 PolarHBondContact O-N 2.82Å; S82-K84 PolarHBondContact O-N 2.8Å; S82-K84 PolarHBondContact OG-N 2.68Å; S82-D85 PolarHBondContact N-OD2 2.65Å; S82-D85 WeakPolarHBondContact O-CB 3.42Å; S82-D85 PolarHBondContact O-N 3.08Å
83	A	36.1	Very low	43	Very low	82 Å²	82	76.2 Å²	76.2	68%	0.678	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-13.4	164.6	0	0	0	0	0	112.4
84	K	39.8	Very low	43	Very low	183 Å²	183	75 Å²	75	80%	0.796	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-15	173.1	-62.4	-179.1	179.7	179.6	0	114.1	S82 T86	S82-K84 PolarHBondContact O-N 2.8Å; S82-K84 PolarHBondContact OG-N 2.68Å; K84-T86 PolarHBondContact O-N 3.46Å
85	D	41.8	Very low	42.9	Very low	19 Å²	19	74.6 Å²	74.6	10%	0.102	37%	0.366	C	S	.	.			trans	-72.6	120	-178	-67.3	-28.9	0	0	0	109.8	F81 S82 E89 R90 K93	F81-D85 VanDerWaalsContact CA-OD2 3.26Å; F81-D85 WeakPolarHBondContact CA-OD2 3.43Å; S82-D85 PolarHBondContact N-OD2 2.65Å; S82-D85 WeakPolarHBondContact O-CB 3.42Å; S82-D85 PolarHBondContact O-N 3.08Å; D85-E89 WeakPolarHBondContact CA-OE2 3.4Å; D85-E89 HydrophobicContact CB-CB 4.13Å; D85-R90 HydrophobicContact CB-CG 3.78Å; D85-R90 PolarHBondContact O-NE 3.32Å; D85-R90 PolarHBondContact O-NH2 3.38Å; D85-K93 IonicContact OD1-NZ 3.56Å; D85-K93 PolarHBondContact OD1-NZ 2.83Å; D85-K93 IonicContact OD2-NZ 2.84Å; D85-K93 PolarHBondContact OD2-NZ 3.35Å
86	T	44.4	Very low	42.6	Very low	75 Å²	75	76.6 Å²	76.6	46%	0.46	38%	0.376	S	S	.	.			trans	-60.6	152.3	168.6	59.7	0	0	0	0	110.4	K84 K88 E89 R90	K84-T86 PolarHBondContact O-N 3.46Å; T86-K88 CarbonylContact O-C 3.58Å; T86-K88 PolarHBondContact O-N 3.37Å; T86-E89 WeakPolarHBondContact CB-OE2 3.22Å; T86-E89 PolarHBondContact N-OE2 2.76Å; T86-E89 WeakPolarHBondContact O-CA 3.5Å; T86-E89 PolarHBondContact O-N 3.23Å; T86-E89 WeakPolarHBondContact OG1-CG 2.97Å; T86-E89 PolarHBondContact OG1-N 3.47Å; T86-E89 PolarHBondContact OG1-OE2 3.31Å; T86-R90 WeakPolarHBondContact O-CG 3.27Å; T86-R90 PolarHBondContact O-N 2.81Å
87	V	41.7	Very low	42.8	Very low	63 Å²	63	69.3 Å²	69.3	38%	0.382	35%	0.346	S	S	.	.	H	α-helix	trans	-48.7	-35.7	173.7	176.7	0	0	0	0	111.3	Y22 R90 V91	Y22-V87 HydrophobicContact CD2-CB 4.33Å; Y22-V87 HydrophobicContact CD2-CG1 4.17Å; Y22-V87 HydrophobicContact CE2-CB 4.5Å; V87-R90 PolarHBondContact O-N 3.07Å; V87-V91 HydrophobicContact CG1-CG2 4.22Å; V87-V91 WeakPolarHBondContact O-CB 3.42Å; V87-V91 VanDerWaalsContact O-CG2 3.22Å; V87-V91 WeakPolarHBondContact O-CG2 2.75Å; V87-V91 PolarHBondContact O-N 2.99Å
88	K	42.8	Very low	42.8	Very low	47 Å²	47	63.3 Å²	63.3	20%	0.204	34%	0.337	C	S	.	.	H	α-helix	trans	-59.1	-52.3	173.3	174.5	170.1	176.4	172	0	112.5	S37 L41 T86 R90 V91 L92	S37-K88 PolarHBondContact O-NZ 2.9Å; L41-K88 HydrophobicContact CD1-CG 4.11Å; L41-K88 HydrophobicContact CD2-CB 4.01Å; L41-K88 HydrophobicContact CD2-CD 4.38Å; L41-K88 HydrophobicContact CD2-CG 4.08Å; T86-K88 CarbonylContact O-C 3.58Å; T86-K88 PolarHBondContact O-N 3.37Å; K88-R90 VanDerWaalsContact C-N 3.28Å; K88-R90 PolarHBondContact O-N 2.85Å; K88-V91 PolarHBondContact O-N 2.86Å; K88-L92 WeakPolarHBondContact O-CB 3.44Å; K88-L92 PolarHBondContact O-N 3.25Å
89	E	45.7	Very low	42.4	Very low	81 Å²	81	58.9 Å²	58.9	38%	0.379	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-35.6	176.9	-72.1	160.2	138.4	0	0	111.5	D85 T86 K93	D85-E89 WeakPolarHBondContact CA-OE2 3.4Å; D85-E89 HydrophobicContact CB-CB 4.13Å; T86-E89 WeakPolarHBondContact CB-OE2 3.22Å; T86-E89 PolarHBondContact N-OE2 2.76Å; T86-E89 WeakPolarHBondContact O-CA 3.5Å; T86-E89 PolarHBondContact O-N 3.23Å; T86-E89 WeakPolarHBondContact OG1-CG 2.97Å; T86-E89 PolarHBondContact OG1-N 3.47Å; T86-E89 PolarHBondContact OG1-OE2 3.31Å; E89-K93 WeakPolarHBondContact O-CB 3.21Å; E89-K93 WeakPolarHBondContact O-CG 3.46Å; E89-K93 PolarHBondContact O-N 2.93Å
90	R	48.1	Very low	42.1	Very low	27 Å²	27	57.7 Å²	57.7	10%	0.102	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-49.9	176.9	-58.1	-167.7	-171.9	-173.7	-3.7	111.3	F81 D85 T86 V87 K88 K93 I94 D153	F81-R90 HydrophobicContact CB-CG 4.48Å; F81-R90 HydrophobicContact CD1-CB 3.6Å; F81-R90 HydrophobicContact CD1-CG 3.38Å; F81-R90 VanDerWaalsContact CE1-CA 3.47Å; F81-R90 HydrophobicContact CE1-CB 3.42Å; F81-R90 VanDerWaalsContact CE1-CB 3.42Å; F81-R90 HydrophobicContact CE1-CG 3.8Å; F81-R90 HydrophobicContact CG-CG 4.09Å; F81-R90 HydrophobicContact CZ-CB 4.32Å; D85-R90 HydrophobicContact CB-CG 3.78Å; D85-R90 PolarHBondContact O-NE 3.32Å; D85-R90 PolarHBondContact O-NH2 3.38Å; T86-R90 WeakPolarHBondContact O-CG 3.27Å; T86-R90 PolarHBondContact O-N 2.81Å; V87-R90 PolarHBondContact O-N 3.07Å; K88-R90 VanDerWaalsContact C-N 3.28Å; K88-R90 PolarHBondContact O-N 2.85Å; R90-K93 PolarHBondContact O-N 1.94Å; R90-I94 WeakPolarHBondContact O-CB 3.18Å; R90-I94 VanDerWaalsContact O-CG1 3.22Å; R90-I94 WeakPolarHBondContact O-CG1 3.19Å; R90-I94 PolarHBondContact O-N 2.87Å; R90-D153 IonicContact CZ-OD1 3.44Å; R90-D153 IonicContact NH1-OD1 2.79Å; R90-D153 PolarHBondContact NH1-OD1 2.71Å; R90-D153 IonicContact NH2-OD1 2.76Å; R90-D153 PolarHBondContact NH2-OD1 3.48Å
91	V	45.6	Very low	42.3	Very low	12 Å²	12	51.8 Å²	51.8	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-43.1	177	171.2	0	0	0	0	110.8	L20 L41 V45 V87 K88 I94 T95 I150	L20-V91 HydrophobicContact CD1-CG2 4.36Å; L41-V91 HydrophobicContact CD1-CG1 4.23Å; V45-V91 HydrophobicContact CG2-CG1 3.53Å; V87-V91 HydrophobicContact CG1-CG2 4.22Å; V87-V91 WeakPolarHBondContact O-CB 3.42Å; V87-V91 VanDerWaalsContact O-CG2 3.22Å; V87-V91 WeakPolarHBondContact O-CG2 2.75Å; V87-V91 PolarHBondContact O-N 2.99Å; K88-V91 PolarHBondContact O-N 2.86Å; V91-I94 WeakPolarHBondContact O-CB 2.91Å; V91-I94 PolarHBondContact O-N 2.83Å; V91-T95 WeakPolarHBondContact O-CB 3.45Å; V91-T95 PolarHBondContact O-N 2.88Å; V91-T95 PolarHBondContact O-OG1 3.46Å; V91-I150 HydrophobicContact CG2-CD1 4.45Å
92	L	47.6	Very low	42.1	Very low	25 Å²	25	53.4 Å²	53.4	13%	0.131	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-41	177.6	-162.9	79	0	0	0	111.6	K88 I94 T95 L96 L114	K88-L92 WeakPolarHBondContact O-CB 3.44Å; K88-L92 PolarHBondContact O-N 3.25Å; L92-I94 VanDerWaalsContact C-N 3.32Å; L92-I94 PolarHBondContact O-N 3.45Å; L92-T95 PolarHBondContact O-N 2.87Å; L92-L96 HydrophobicContact CD1-CD1 4.46Å; L92-L96 HydrophobicContact CD2-CD1 3.92Å; L92-L96 HydrophobicContact CG-CD1 3.69Å; L92-L96 HydrophobicContact CG-CG 4.15Å; L92-L96 WeakPolarHBondContact O-CB 3.39Å; L92-L96 WeakPolarHBondContact O-CG 3.22Å; L92-L96 PolarHBondContact O-N 3.36Å; L92-L114 HydrophobicContact CD2-CD2 4.03Å
93	K	45.8	Very low	42.5	Very low	76 Å²	76	51.8 Å²	51.8	33%	0.33	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-38.8	173.5	-77.4	175.6	-172.1	-174.4	0	111.7	P79 D85 E89 R90 A97	P79-K93 HydrophobicContact CB-CB 3.91Å; P79-K93 HydrophobicContact CB-CD 4.11Å; P79-K93 HydrophobicContact CG-CB 3.82Å; D85-K93 IonicContact OD1-NZ 3.56Å; D85-K93 PolarHBondContact OD1-NZ 2.83Å; D85-K93 IonicContact OD2-NZ 2.84Å; D85-K93 PolarHBondContact OD2-NZ 3.35Å; E89-K93 WeakPolarHBondContact O-CB 3.21Å; E89-K93 WeakPolarHBondContact O-CG 3.46Å; E89-K93 PolarHBondContact O-N 2.93Å; R90-K93 PolarHBondContact O-N 1.94Å; K93-A97 WeakPolarHBondContact O-CA 3.37Å; K93-A97 VanDerWaalsContact O-CB 3.27Å; K93-A97 WeakPolarHBondContact O-CB 3.22Å; K93-A97 PolarHBondContact O-N 2.85Å
94	I	45.3	Very low	42.9	Very low	28 Å²	28	48.1 Å²	48.1	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-44.8	173.5	-74.8	167.7	0	0	0	110.8	L75 P79 F81 R90 V91 L92 A97 C100	L75-I94 HydrophobicContact CD2-CB 4.01Å; L75-I94 HydrophobicContact CD2-CD1 4.26Å; L75-I94 HydrophobicContact CD2-CG1 3.79Å; L75-I94 HydrophobicContact CD2-CG2 3.28Å; P79-I94 HydrophobicContact CG-CG1 4.23Å; F81-I94 HydrophobicContact CE1-CD1 4.42Å; F81-I94 HydrophobicContact CE1-CG1 4.3Å; F81-I94 HydrophobicContact CZ-CD1 3.85Å; F81-I94 HydrophobicContact CZ-CG1 3.84Å; R90-I94 WeakPolarHBondContact O-CB 3.18Å; R90-I94 VanDerWaalsContact O-CG1 3.22Å; R90-I94 WeakPolarHBondContact O-CG1 3.19Å; R90-I94 PolarHBondContact O-N 2.87Å; V91-I94 WeakPolarHBondContact O-CB 2.91Å; V91-I94 PolarHBondContact O-N 2.83Å; L92-I94 VanDerWaalsContact C-N 3.32Å; L92-I94 PolarHBondContact O-N 3.45Å; I94-A97 WeakPolarHBondContact O-CB 3.31Å; I94-C100 PolarHBondContact O-SG 2.7Å
95	T	43.5	Very low	43	Very low	7 Å²	7	43 Å²	43	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-74.4	-34.2	-178	-52.2	0	0	0	0	112.7	F48 V91 L92 I109	F48-T95 HydrophobicContact CB-CG2 4.15Å; F48-T95 HydrophobicContact CD2-CG2 3.95Å; F48-T95 HydrophobicContact CG-CG2 4.34Å; V91-T95 WeakPolarHBondContact O-CB 3.45Å; V91-T95 PolarHBondContact O-N 2.88Å; V91-T95 PolarHBondContact O-OG1 3.46Å; L92-T95 PolarHBondContact O-N 2.87Å; T95-I109 HydrophobicContact CG2-CB 4.34Å; T95-I109 HydrophobicContact CG2-CD1 3.35Å; T95-I109 HydrophobicContact CG2-CG1 4.37Å; T95-I109 HydrophobicContact CG2-CG2 3.61Å
96	L	40	Very low	42.9	Very low	79 Å²	79	43 Å²	43	41%	0.414	25%	0.251	S	S	.	.	H	α-helix	trans	-85.2	-10.7	176	-68.1	176.2	0	0	0	113.2	L92 S98	L92-L96 HydrophobicContact CD1-CD1 4.46Å; L92-L96 HydrophobicContact CD2-CD1 3.92Å; L92-L96 HydrophobicContact CG-CD1 3.69Å; L92-L96 HydrophobicContact CG-CG 4.15Å; L92-L96 WeakPolarHBondContact O-CB 3.39Å; L92-L96 WeakPolarHBondContact O-CG 3.22Å; L92-L96 PolarHBondContact O-N 3.36Å; L96-S98 PolarHBondContact O-N 3.27Å; L96-S98 VanDerWaalsContact O-N 3.07Å
97	A	46.1	Very low	42.4	Very low	8 Å²	8	49.2 Å²	49.2	7%	0.066	27%	0.266	C	S	.	.	S	Bend	trans	-54.3	122.4	174.1	0	0	0	0	0	107.2	K93 I94 C99 C100	K93-A97 WeakPolarHBondContact O-CA 3.37Å; K93-A97 VanDerWaalsContact O-CB 3.27Å; K93-A97 WeakPolarHBondContact O-CB 3.22Å; K93-A97 PolarHBondContact O-N 2.85Å; I94-A97 WeakPolarHBondContact O-CB 3.31Å; A97-C99 VanDerWaalsContact CB-SG 3.58Å; A97-C99 PolarHBondContact O-N 3.12Å; A97-C100 PolarHBondContact O-N 3.1Å
98	S	37.5	Very low	42	Very low	88 Å²	88	52.5 Å²	52.5	62%	0.615	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-18.9	-171.7	56.4	0	0	0	0	113.5	L96 S101 S102	L96-S98 PolarHBondContact O-N 3.27Å; L96-S98 VanDerWaalsContact O-N 3.07Å; S98-S101 VanDerWaalsContact C-OG 3.3Å; S98-S101 WeakPolarHBondContact CA-OG 3.4Å; S98-S101 PolarHBondContact O-OG 3.42Å; S98-S102 PolarHBondContact O-N 2.86Å
99	C	37.5	Very low	41.8	Very low	18 Å²	18	50.7 Å²	50.7	12%	0.122	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.6	172.4	63	0	0	0	0	114.6	C74 A97 S101 S102 L103	C74-C99 HydrophobicContact CB-CB 3.36Å; C74-C99 WeakPolarHBondContact CB-SG 3.34Å; C74-C99 WeakPolarHBondContact SG-CB 3.11Å; C74-C99 CovalentContact SG-SG 1.94Å; C74-C99 PolarHBondContact SG-SG 3.38Å; A97-C99 VanDerWaalsContact CB-SG 3.58Å; A97-C99 PolarHBondContact O-N 3.12Å; C99-S101 VanDerWaalsContact C-N 3.29Å; C99-S101 PolarHBondContact O-N 2.81Å; C99-S102 WeakPolarHBondContact CA-OG 3.38Å; C99-S102 PolarHBondContact O-N 3.22Å; C99-S102 PolarHBondContact O-OG 2.89Å; C99-L103 VanDerWaalsContact O-CB 3.27Å; C99-L103 WeakPolarHBondContact O-CB 3.14Å; C99-L103 WeakPolarHBondContact O-CD1 3.28Å; C99-L103 WeakPolarHBondContact O-CG 3.22Å; C99-L103 PolarHBondContact O-N 3.34Å
100	C	37.8	Very low	41.3	Very low	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.5	-36.1	177.2	-74.2	0	0	0	0	109.7	F48 I94 A97 S102 L103 F104 I106	F48-C100 HydrophobicContact CE2-CB 4.44Å; I94-C100 PolarHBondContact O-SG 2.7Å; A97-C100 PolarHBondContact O-N 3.1Å; C100-S102 VanDerWaalsContact C-N 3.3Å; C100-S102 PolarHBondContact O-N 3.24Å; C100-L103 PolarHBondContact O-N 3.32Å; C100-F104 WeakPolarHBondContact O-CB 3.21Å; C100-F104 PolarHBondContact O-N 3.36Å; C100-I106 VanDerWaalsContact C-CD1 3.48Å; C100-I106 HydrophobicContact CB-CD1 3.74Å; C100-I106 VanDerWaalsContact O-CD1 3.25Å; C100-I106 WeakPolarHBondContact O-CD1 3.5Å
101	S	40.6	Very low	40.5	Very low	63 Å²	63	55.7 Å²	55.7	44%	0.441	32%	0.317	S	S	.	.	H	α-helix	trans	-71.9	-16.5	173.2	49.7	0	0	0	0	115.1	S98 C99 F104	S98-S101 VanDerWaalsContact C-OG 3.3Å; S98-S101 WeakPolarHBondContact CA-OG 3.4Å; S98-S101 PolarHBondContact O-OG 3.42Å; C99-S101 VanDerWaalsContact C-N 3.29Å; C99-S101 PolarHBondContact O-N 2.81Å; S101-F104 CarbonylContact C-O 3.25Å; S101-F104 VanDerWaalsContact C-O 3.25Å; S101-F104 WeakPolarHBondContact CA-O 3.47Å
102	S	40.2	Very low	39.9	Very low	90 Å²	90	56.6 Å²	56.6	63%	0.629	32%	0.324	S	S	*	.	H	α-helix	trans	-98.1	-24.2	173.7	68.3	0	0	0	0	113	S98 C99 C100	S98-S102 PolarHBondContact O-N 2.86Å; C99-S102 WeakPolarHBondContact CA-OG 3.38Å; C99-S102 PolarHBondContact O-N 3.22Å; C99-S102 PolarHBondContact O-OG 2.89Å; C100-S102 VanDerWaalsContact C-N 3.3Å; C100-S102 PolarHBondContact O-N 3.24Å
103	L	44.1	Very low	39	Very low	16 Å²	16	60.9 Å²	60.9	8%	0.084	35%	0.353	C	S	.	.	H	α-helix	trans	-81.7	-30	174.4	-68.1	169.2	0	0	0	112.5	K67 E70 L71 C99 C100	K67-L103 HydrophobicContact CD-CD2 3.67Å; E70-L103 HydrophobicContact CB-CD1 4.16Å; E70-L103 HydrophobicContact CB-CD2 3.47Å; E70-L103 VanDerWaalsContact CB-CD2 3.47Å; E70-L103 HydrophobicContact CB-CG 4.46Å; E70-L103 HydrophobicContact CG-CD2 4.26Å; E70-L103 WeakPolarHBondContact OE2-CD2 3.32Å; L71-L103 HydrophobicContact CB-CD1 4.13Å; L71-L103 HydrophobicContact CD1-CD1 4.3Å; C99-L103 VanDerWaalsContact O-CB 3.27Å; C99-L103 WeakPolarHBondContact O-CB 3.14Å; C99-L103 WeakPolarHBondContact O-CD1 3.28Å; C99-L103 WeakPolarHBondContact O-CG 3.22Å; C99-L103 PolarHBondContact O-N 3.34Å; C100-L103 PolarHBondContact O-N 3.32Å
104	F	46.1	Very low	38.5	Very low	5 Å²	5	63.6 Å²	63.6	2%	0.022	37%	0.371	C	S	.	.	S	Bend	trans	-136.3	145.3	-178.3	-58.4	-80.2	0	0	0	108.9	V51 M52 E55 M59 L71 C100 S101 I106	V51-F104 HydrophobicContact CG1-CB 3.77Å; V51-F104 HydrophobicContact CG1-CG 4.47Å; M52-F104 HydrophobicContact CE-CE1 3.99Å; M52-F104 HydrophobicContact CE-CE2 3.77Å; M52-F104 HydrophobicContact CE-CZ 3.38Å; M52-F104 HydrophobicContact SD-CD1 3.98Å; M52-F104 HydrophobicContact SD-CD2 3.49Å; M52-F104 WeakPolarHBondContact SD-CD2 3.38Å; M52-F104 HydrophobicContact SD-CE1 3.63Å; M52-F104 HydrophobicContact SD-CE2 3.13Å; M52-F104 WeakPolarHBondContact SD-CE2 3.42Å; M52-F104 HydrophobicContact SD-CG 3.93Å; M52-F104 HydrophobicContact SD-CZ 3.21Å; M52-F104 WeakPolarHBondContact SD-CZ 3.42Å; E55-F104 HydrophobicContact CB-CD1 3.55Å; E55-F104 HydrophobicContact CB-CE1 3.89Å; E55-F104 HydrophobicContact CG-CD1 3.89Å; M59-F104 HydrophobicContact CE-CD1 4.31Å; M59-F104 HydrophobicContact CE-CE1 3.67Å; M59-F104 HydrophobicContact CE-CZ 4.4Å; L71-F104 HydrophobicContact CD1-CE2 4.35Å; C100-F104 WeakPolarHBondContact O-CB 3.21Å; C100-F104 PolarHBondContact O-N 3.36Å; S101-F104 CarbonylContact C-O 3.25Å; S101-F104 VanDerWaalsContact C-O 3.25Å; S101-F104 WeakPolarHBondContact CA-O 3.47Å; F104-I106 HydrophobicContact CB-CD1 4.13Å; F104-I106 HydrophobicContact CB-CG1 3.72Å; F104-I106 PolarHBondContact O-N 3.22Å
105	S	40.4	Very low	37.7	Very low	76 Å²	76	66.9 Å²	66.9	53%	0.531	40%	0.396	S	S	.	.			trans	-71.9	69.3	176.9	-164.8	0	0	0	0	110.5	R107	S105-R107 VanDerWaalsContact C-N 3.31Å; S105-R107 PolarHBondContact O-N 2.94Å; S105-R107 VanDerWaalsContact O-N 3.08Å
106	I	39.9	Very low	36.9	Very low	19 Å²	19	72.3 Å²	72.3	10%	0.097	43%	0.434	C	S	.	.			trans	-86.4	73.7	-177.7	-53.6	-175.4	0	0	0	108.3	F48 V51 C100 F104 I109	F48-I106 HydrophobicContact CD2-CD1 4.22Å; F48-I106 HydrophobicContact CE2-CD1 4.45Å; V51-I106 HydrophobicContact CG1-CG1 4.33Å; C100-I106 VanDerWaalsContact C-CD1 3.48Å; C100-I106 HydrophobicContact CB-CD1 3.74Å; C100-I106 VanDerWaalsContact O-CD1 3.25Å; C100-I106 WeakPolarHBondContact O-CD1 3.5Å; F104-I106 HydrophobicContact CB-CD1 4.13Å; F104-I106 HydrophobicContact CB-CG1 3.72Å; F104-I106 PolarHBondContact O-N 3.22Å; I106-I109 HydrophobicContact CD1-CD1 4.43Å; I106-I109 HydrophobicContact CG2-CB 3.62Å; I106-I109 HydrophobicContact CG2-CD1 3.27Å; I106-I109 HydrophobicContact CG2-CG1 3.35Å
107	R	34.8	Very low	36.3	Very low	206 Å²	206	72.3 Å²	72.3	78%	0.777	45%	0.453	S	S	*	.			trans	-85	-16.2	172	-71.5	-173.1	-175.2	-179.4	2	113.4	S105	S105-R107 VanDerWaalsContact C-N 3.31Å; S105-R107 PolarHBondContact O-N 2.94Å; S105-R107 VanDerWaalsContact O-N 3.08Å
108	D	33.1	Very low	35.5	Very low	131 Å²	131	76.3 Å²	76.3	70%	0.701	48%	0.481	S	S	*	.	S	Bend	trans	-100.4	-5.2	-168.7	-72.2	-27	0	0	0	115.9	S111	D108-S111 PolarHBondContact O-OG 3.21Å
109	I	38	Very low	34.8	Very low	9 Å²	9	77.2 Å²	77.2	5%	0.046	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-90.3	-6.3	-175.2	-55.4	-178.9	0	0	0	113.1	A47 F48 T95 I106 S111	A47-I109 HydrophobicContact CB-CG1 4.31Å; F48-I109 HydrophobicContact CB-CD1 3.98Å; T95-I109 HydrophobicContact CG2-CB 4.34Å; T95-I109 HydrophobicContact CG2-CD1 3.35Å; T95-I109 HydrophobicContact CG2-CG1 4.37Å; T95-I109 HydrophobicContact CG2-CG2 3.61Å; I106-I109 HydrophobicContact CD1-CD1 4.43Å; I106-I109 HydrophobicContact CG2-CB 3.62Å; I106-I109 HydrophobicContact CG2-CD1 3.27Å; I106-I109 HydrophobicContact CG2-CG1 3.35Å; I109-S111 PolarHBondContact O-N 2.87Å
110	T	35.5	Very low	34.4	Very low	115 Å²	115	85.6 Å²	85.6	71%	0.706	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-80.2	3.8	-179.6	48.6	0	0	0	0	114.5
111	S	31.8	Very low	33.9	Very low	99 Å²	99	91.8 Å²	91.8	69%	0.692	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-85.1	-6.3	-177.5	56.3	0	0	0	0	114.7	D108 I109 P113	D108-S111 PolarHBondContact O-OG 3.21Å; I109-S111 PolarHBondContact O-N 2.87Å; S111-P113 WeakPolarHBondContact O-CD 3.48Å
112	C	32.2	Very low	33.1	Very low	30 Å²	30	99.1 Å²	99.1	20%	0.203	58%	0.584	C	S	.	*	S	Bend	trans	-90.2	114.5	177.9	-88.5	0	0	0	0	111.6	C40 S44 L114	C40-C112 HydrophobicContact CB-CB 4.5Å; C40-C112 WeakPolarHBondContact CB-SG 3.26Å; C40-C112 WeakPolarHBondContact SG-CB 3.36Å; C40-C112 CovalentContact SG-SG 2.03Å; C40-C112 PolarHBondContact SG-SG 2.8Å; S44-C112 PolarHBondContact OG-SG 2.8Å; C112-L114 PolarHBondContact O-N 2.85Å
113	P	28.4	Very low	32.4	Very low	116 Å²	116	99.9 Å²	99.9	75%	0.753	59%	0.589	S	S	*	*			trans	-65.9	125.5	177	25.1	-31.1	0	0	0	110.5	S111 S115	S111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-S115 VanDerWaalsContact C-N 3.35Å; P113-S115 PolarHBondContact O-N 3.35Å
114	L	35.3	Very low	31.7	Very low	133 Å²	133	107.2 Å²	107.2	70%	0.696	62%	0.623	S	S	*	*			trans	-62.4	96.5	164.3	-81.3	145.9	0	0	0	107.6	L92 C112 S116	L92-L114 HydrophobicContact CD2-CD2 4.03Å; C112-L114 PolarHBondContact O-N 2.85Å; L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 2.9Å
115	S	29.8	Very low	30.7	Very low	96 Å²	96	114 Å²	114	67%	0.671	66%	0.664	S	S	*	*			trans	-68.2	92.2	169.4	62.2	0	0	0	0	108.3	P113 G117	P113-S115 VanDerWaalsContact C-N 3.35Å; P113-S115 PolarHBondContact O-N 3.35Å; S115-G117 PolarHBondContact O-N 2.99Å; S115-G117 VanDerWaalsContact O-N 3.16Å
116	S	26.5	Very low	30	Very low	122 Å²	122	115.4 Å²	115.4	85%	0.853	68%	0.675	S	S	*	*			trans	-59.2	109.6	165.7	52.1	0	0	0	0	108.9	L114	L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 2.9Å
117	G	27.1	Very low	29.1	Very low	78 Å²	78	123.4 Å²	123.4	80%	0.804	71%	0.709	S	S	*	*			trans	132.3	50.9	158.7	0	0	0	0	0	119.1	S115	S115-G117 PolarHBondContact O-N 2.99Å; S115-G117 VanDerWaalsContact O-N 3.16Å
118	S	28.5	Very low	28.7	Very low	93 Å²	93	120.6 Å²	120.6	65%	0.65	71%	0.706	S	S	*	*			trans	-123.7	91.2	163.4	63	0	0	0	0	112.4
119	S	22.6	Very low	28.2	Very low	107 Å²	107	124.7 Å²	124.7	75%	0.748	71%	0.713	S	S	*	*			trans	-71	114.5	159.9	51.7	0	0	0	0	109.8
120	F	29.9	Very low	27.7	Very low	193 Å²	193	130 Å²	130	85%	0.846	75%	0.75	S	S	*	*			trans	-140.9	139.2	166.6	-80.1	-77	0	0	0	113.3
121	T	26.9	Very low	27	Very low	130 Å²	130	133.2 Å²	133.2	80%	0.798	76%	0.757	S	S	*	*			trans	-80.1	147.9	-161.7	43.8	0	0	0	0	114.2	S123	T121-S123 PolarHBondContact O-N 2.99Å
122	K	24.8	Very low	26.7	Very low	218 Å²	218	135 Å²	135	95%	0.948	76%	0.758	S	S	*	*			trans	-44.4	112.5	169.2	-80.2	178	171.6	179.5	0	112.3
123	S	25.4	Very low	26.2	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	78%	0.784	S	S	*	*			trans	-173.1	144.1	154.6	-176.3	0	0	0	0	109	T121	T121-S123 PolarHBondContact O-N 2.99Å
124	Q	28.2	Very low	26	Very low	171 Å²	171	140.5 Å²	140.5	80%	0.799	79%	0.786	S	S	*	*			trans	91.1	76.2	174.9	-50.6	-163.8	-13	0	0	116.6
125	T	24.6	Very low	25.4	Very low	146 Å²	146	140.9 Å²	140.9	90%	0.896	79%	0.788	S	S	*	*			trans	-41.9	126.4	143.3	21.9	0	0	0	0	111.7
126	S	25.8	Very low	25.1	Very low	107 Å²	107	144 Å²	144	75%	0.748	80%	0.798	S	S	*	*			trans	-148.9	116.2	165.4	-77.2	0	0	0	0	110.7
127	K	22.8	Very low	25.1	Very low	187 Å²	187	144.2 Å²	144.2	81%	0.813	79%	0.788	S	S	*	*			trans	-56.4	136.6	-179.9	-64	171	176.4	176.9	0	111.8
128	M	26.2	Very low	25	Very low	147 Å²	147	143.5 Å²	143.5	72%	0.724	78%	0.782	S	S	*	*			trans	-113.9	128.7	162.7	-84.8	-167.1	-77.4	0	0	110.9
129	Y	22.2	Very low	24.8	Very low	217 Å²	217	144.8 Å²	144.8	85%	0.851	79%	0.791	S	S	*	*			trans	-97.9	134.9	168.6	-77.2	-95.7	0	0	0	108.4
130	C	26.5	Very low	24.8	Very low	121 Å²	121	145.7 Å²	145.7	82%	0.818	79%	0.791	S	S	*	*			trans	-119.9	117.5	171.6	-150.4	0	0	0	0	109.1
131	Q	22	Very low	24.6	Very low	181 Å²	181	140.3 Å²	140.3	85%	0.846	78%	0.782	S	S	*	*			trans	-94.6	119.6	178.3	-167.9	175.2	-6.1	0	0	108.4	S133	Q131-S133 PolarHBondContact O-N 2.87Å
132	L	24.1	Very low	24.4	Very low	137 Å²	137	143 Å²	143	72%	0.717	78%	0.783	S	S	*	*			trans	-81.8	112.2	-179.3	-141.1	89.6	0	0	0	109.3	L134	L132-L134 HydrophobicContact CD2-CD1 4.14Å; L132-L134 HydrophobicContact CD2-CG 4.21Å
133	S	23.2	Very low	24.5	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	76%	0.764	S	S	*	*			trans	-95.1	96.4	166.5	-62.5	0	0	0	0	109	Q131 L135	Q131-S133 PolarHBondContact O-N 2.87Å; S133-L135 PolarHBondContact O-N 3.44Å; S133-L135 VanDerWaalsContact O-N 3.15Å
134	L	22.9	Very low	24.6	Very low	155 Å²	155	134.8 Å²	134.8	81%	0.812	75%	0.745	S	S	*	*			trans	-71.8	97	167.8	-90.1	152.9	0	0	0	108.8	L132 N136	L132-L134 HydrophobicContact CD2-CD1 4.14Å; L132-L134 HydrophobicContact CD2-CG 4.21Å; L134-N136 PolarHBondContact O-N 2.79Å
135	L	23.6	Very low	24.7	Very low	141 Å²	141	129.5 Å²	129.5	74%	0.738	73%	0.731	S	S	*	*			trans	-82.6	110.7	166.1	-96.4	153.8	0	0	0	108.8	S133 L137	S133-L135 PolarHBondContact O-N 3.44Å; S133-L135 VanDerWaalsContact O-N 3.15Å; L135-L137 PolarHBondContact O-N 3.19Å
136	N	23.2	Very low	25.2	Very low	162 Å²	162	124.2 Å²	124.2	87%	0.866	70%	0.696	S	S	*	*			trans	-67	89.1	175.4	-165.8	12.4	0	0	0	109.7	L134	L134-N136 PolarHBondContact O-N 2.79Å
137	L	27.4	Very low	25.7	Very low	126 Å²	126	122.1 Å²	122.1	66%	0.66	68%	0.676	S	S	*	*			trans	-99.5	95.5	176.5	-75	163.3	0	0	0	108.7	L135	L135-L137 PolarHBondContact O-N 3.19Å
138	G	23.5	Very low	26.5	Very low	64 Å²	64	114.8 Å²	114.8	66%	0.66	65%	0.645	S	S	*	*			trans	-65.3	151.1	-176.9	0	0	0	0	0	114.2
139	S	24.1	Very low	26.8	Very low	120 Å²	120	111.6 Å²	111.6	84%	0.839	63%	0.631	S	S	*	*			trans	47	96	151.3	-161.6	0	0	0	0	116.8
140	V	24.2	Very low	27.5	Very low	126 Å²	126	103.9 Å²	103.9	76%	0.764	60%	0.603	S	S	*	*				168.4	116.6	124.9	160.9	0	0	0	0	107.8	F142	V140-F142 PolarHBondContact O-N 3.16Å
141	A	24.2	Very low	27.5	Very low	80 Å²	80	100.7 Å²	100.7	66%	0.661	59%	0.586	S	S	*	*			trans	0.9	104.6	162.7	0	0	0	0	0	117.4
142	F	24.5	Very low	27.9	Very low	185 Å²	185	99.4 Å²	99.4	81%	0.811	59%	0.585	S	S	*	*				-176.5	131.8	118.4	-105.5	-80.3	0	0	0	108.5	V140	V140-F142 PolarHBondContact O-N 3.16Å
143	N	25.2	Very low	28.3	Very low	102 Å²	102	97.5 Å²	97.5	55%	0.545	58%	0.575	S	S	.	*			trans	-78.1	156.5	-165.6	-64.4	-8.3	0	0	0	112	R162	N143-R162 WeakPolarHBondContact CB-O 3.34Å; N143-R162 VanDerWaalsContact CG-O 3.27Å; N143-R162 PolarHBondContact ND2-OXT 2.75Å; N143-R162 VanDerWaalsContact ND2-OXT 3.08Å; N143-R162 PolarHBondContact OD1-O 2.76Å; N143-R162 PolarHBondContact OD1-OXT 2.65Å
144	S	28.8	Very low	28.6	Very low	49 Å²	49	97.1 Å²	97.1	34%	0.343	57%	0.565	S	S	.	*			trans	87.9	97.8	171	72.6	0	0	0	0	117.5	F146	S144-F146 VanDerWaalsContact CB-CE2 3.46Å
145	A	29	Very low	29.1	Very low	60 Å²	60	93.6 Å²	93.6	50%	0.496	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.4	158.7	0	0	0	0	0	108.1
146	F	36.4	Very low	29.4	Very low	35 Å²	35	92.5 Å²	92.5	15%	0.154	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.3	179.7	-64.7	-83.5	0	0	0	110.5	F16 F68 S144	F16-F146 HydrophobicContact CE1-CD2 4.29Å; F68-F146 HydrophobicContact CD1-CE2 4.44Å; F68-F146 HydrophobicContact CD1-CZ 4.41Å; F68-F146 HydrophobicContact CE1-CD1 4.26Å; F68-F146 HydrophobicContact CE1-CD2 4.1Å; F68-F146 AromaticContact CE1-CE1 3.74Å; F68-F146 HydrophobicContact CE1-CE1 3.74Å; F68-F146 AromaticContact CE1-CE2 3.54Å; F68-F146 HydrophobicContact CE1-CE2 3.54Å; F68-F146 HydrophobicContact CE1-CG 4.43Å; F68-F146 AromaticContact CE1-CZ 3.35Å; F68-F146 HydrophobicContact CE1-CZ 3.35Å; F68-F146 AromaticContact CE2-CD2 3.85Å; F68-F146 HydrophobicContact CE2-CD2 3.85Å; F68-F146 HydrophobicContact CE2-CE2 4.04Å; F68-F146 HydrophobicContact CE2-CG 4.2Å; F68-F146 HydrophobicContact CZ-CB 4.41Å; F68-F146 AromaticContact CZ-CD1 3.67Å; F68-F146 HydrophobicContact CZ-CD1 3.67Å; F68-F146 AromaticContact CZ-CD2 3.36Å; F68-F146 HydrophobicContact CZ-CD2 3.36Å; F68-F146 AromaticContact CZ-CE1 3.63Å; F68-F146 HydrophobicContact CZ-CE1 3.63Å; F68-F146 AromaticContact CZ-CE2 3.3Å; F68-F146 HydrophobicContact CZ-CE2 3.3Å; F68-F146 AromaticContact CZ-CG 3.54Å; F68-F146 HydrophobicContact CZ-CG 3.54Å; F68-F146 AromaticContact CZ-CZ 3.45Å; F68-F146 HydrophobicContact CZ-CZ 3.45Å; F68-F146 VanDerWaalsContact CZ-CZ 3.45Å; S144-F146 VanDerWaalsContact CB-CE2 3.46Å
147	L	35.9	Very low	29.9	Very low	64 Å²	64	87.9 Å²	87.9	34%	0.335	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113	172.7	-173.5	76	0	0	0	107.7	L149	L147-L149 HydrophobicContact CD2-CD1 3.5Å; L147-L149 HydrophobicContact CD2-CD2 4.32Å; L147-L149 HydrophobicContact CD2-CG 3.69Å; L147-L149 HydrophobicContact CG-CD1 4.27Å; L147-L149 HydrophobicContact CG-CG 3.93Å
148	I	39.3	Very low	30.1	Very low	33 Å²	33	86.6 Å²	86.6	17%	0.169	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	103.5	165.8	-60.3	-165.2	0	0	0	107.4	L18 I150	L18-I148 HydrophobicContact CD1-CB 3.88Å; L18-I148 HydrophobicContact CD1-CD1 3.58Å; L18-I148 HydrophobicContact CD1-CG1 3.53Å; L18-I148 HydrophobicContact CG-CB 4.14Å; L18-I148 HydrophobicContact CG-CD1 4.44Å; L18-I148 HydrophobicContact CG-CG1 4.33Å; I148-I150 HydrophobicContact CG2-CG1 4.29Å
149	L	33.8	Very low	30.3	Very low	80 Å²	80	85.1 Å²	85.1	42%	0.419	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	117.2	169.2	-76.6	161.6	0	0	0	108	L147 F156	L147-L149 HydrophobicContact CD2-CD1 3.5Å; L147-L149 HydrophobicContact CD2-CD2 4.32Å; L147-L149 HydrophobicContact CD2-CG 3.69Å; L147-L149 HydrophobicContact CG-CD1 4.27Å; L147-L149 HydrophobicContact CG-CG 3.93Å; L149-F156 HydrophobicContact CB-CB 4.33Å; L149-F156 PolarHBondContact N-O 2.84Å; L149-F156 PolarHBondContact O-N 3.2Å
150	I	35	Very low	30.5	Very low	54 Å²	54	86.9 Å²	86.9	28%	0.277	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	94.3	161.7	-53.8	-176.2	0	0	0	105.8	L20 V91 I148	L20-I150 HydrophobicContact CD2-CD1 3.43Å; L20-I150 VanDerWaalsContact CD2-CD1 3.43Å; L20-I150 HydrophobicContact CD2-CG1 4Å; V91-I150 HydrophobicContact CG2-CD1 4.45Å; I148-I150 HydrophobicContact CG2-CG1 4.29Å
151	A	27.5	Very low	30.4	Very low	54 Å²	54	88.1 Å²	88.1	45%	0.446	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	154.3	165.9	0	0	0	0	0	108	D153 D154	A151-D153 PolarHBondContact O-N 3.31Å; A151-D154 PolarHBondContact O-N 2.83Å; A151-D154 VanDerWaalsContact O-O 3.1Å
152	D	29.9	Very low	30.5	Very low	154 Å²	154	96.7 Å²	96.7	82%	0.824	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-19.7	113.9	179.4	-96.2	-42.5	0	0	0	114.1	D154	D152-D154 PolarHBondContact O-N 2.96Å
153	D	31.9	Very low	30.8	Very low	97 Å²	97	92.3 Å²	92.3	52%	0.519	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	-3.4	173.5	-66	-29.8	0	0	0	119.8	R90 A151	R90-D153 IonicContact CZ-OD1 3.44Å; R90-D153 IonicContact NH1-OD1 2.79Å; R90-D153 PolarHBondContact NH1-OD1 2.71Å; R90-D153 IonicContact NH2-OD1 2.76Å; R90-D153 PolarHBondContact NH2-OD1 3.48Å; A151-D153 PolarHBondContact O-N 3.31Å
154	D	30.1	Very low	31.1	Very low	98 Å²	98	91.7 Å²	91.7	52%	0.524	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.9	-178.7	-75.9	-41.5	0	0	0	112.3	A151 D152 F156	A151-D154 PolarHBondContact O-N 2.83Å; A151-D154 VanDerWaalsContact O-O 3.1Å; D152-D154 PolarHBondContact O-N 2.96Å; D154-F156 HydrophobicContact CB-CD2 3.87Å; D154-F156 HydrophobicContact CB-CE2 3.5Å; D154-F156 VanDerWaalsContact CB-CE2 3.5Å; D154-F156 HydrophobicContact CB-CZ 4.39Å; D154-F156 PolarHBondContact O-N 3.22Å
155	I	33	Very low	31.2	Very low	82 Å²	82	94.1 Å²	94.1	42%	0.421	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	102.9	167.9	-62	179.7	0	0	0	107.9	F81 V157	F81-I155 HydrophobicContact CD2-CD1 4.1Å; F81-I155 HydrophobicContact CE2-CD1 3.37Å; F81-I155 HydrophobicContact CE2-CG1 4.47Å; F81-I155 HydrophobicContact CZ-CD1 4.13Å; I155-V157 HydrophobicContact CG2-CG2 3.78Å; I155-V157 PolarHBondContact O-N 2.76Å
156	F	30.7	Very low	31.3	Very low	118 Å²	118	96.1 Å²	96.1	52%	0.518	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	99.7	168.3	-79	-86	0	0	0	109.6	L149 D154 N158	L149-F156 HydrophobicContact CB-CB 4.33Å; L149-F156 PolarHBondContact N-O 2.84Å; L149-F156 PolarHBondContact O-N 3.2Å; D154-F156 HydrophobicContact CB-CD2 3.87Å; D154-F156 HydrophobicContact CB-CE2 3.5Å; D154-F156 VanDerWaalsContact CB-CE2 3.5Å; D154-F156 HydrophobicContact CB-CZ 4.39Å; D154-F156 PolarHBondContact O-N 3.22Å; F156-N158 PolarHBondContact O-N 3.18Å
157	V	33.6	Very low	31	Very low	64 Å²	64	99.9 Å²	99.9	39%	0.388	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	95.1	163.1	-174.8	0	0	0	0	107.2	I155	I155-V157 HydrophobicContact CG2-CG2 3.78Å; I155-V157 PolarHBondContact O-N 2.76Å
158	N	31.1	Very low	30.7	Very low	99 Å²	99	102.3 Å²	102.3	53%	0.529	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	103.3	170.5	-137.5	-18.3	0	0	0	108.4	F156	F156-N158 PolarHBondContact O-N 3.18Å
159	G	27.7	Very low	30.1	Very low	34 Å²	34	107.3 Å²	107.3	35%	0.351	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	112.7	173.9	0	0	0	0	0	109.8	L161	G159-L161 PolarHBondContact O-N 3.28Å
160	F	27.8	Very low	29.8	Very low	156 Å²	156	109.4 Å²	109.4	68%	0.684	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.4	98.3	164.7	-92.7	-87.8	0	0	0	108.5
161	L	23.7	Very low	29.3	Very low	153 Å²	153	114 Å²	114	80%	0.801	58%	0.582	S	S	*	*			trans	-84.1	101.3	160.3	-83.7	159	0	0	0	107.9	G159	G159-L161 PolarHBondContact O-N 3.28Å
162	R	25	Very low	29.5	Very low	259 Å²	259	119.5 Å²	119.5	98%	0.977	59%	0.594	S	S	*	*			trans	-147.8	0	149.9	-117.4	-178.9	-179.5	174.9	0.7	109.5	N143	N143-R162 WeakPolarHBondContact CB-O 3.34Å; N143-R162 VanDerWaalsContact CG-O 3.27Å; N143-R162 PolarHBondContact ND2-OXT 2.75Å; N143-R162 VanDerWaalsContact ND2-OXT 3.08Å; N143-R162 PolarHBondContact OD1-O 2.76Å; N143-R162 PolarHBondContact OD1-OXT 2.65Å

Retrieved 162 of 162 residues in 24.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).