A0A077ZJX8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJX8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 aa.

						>A0A077ZJX8_TRITR|A0A077ZJX8
MTPAYIFKVGWKRNVSGCMNLKKFEGIIAYMPHVSSDGNKMNLQVQGEELKLTKTKCAISSFTSKLLFFRKSLFRKGIYHFANLCDMQRSEKDAVVVHQCYLEELRPKRVLPFYKIVLIKVPSTFSAAENSKKHFQELLELGDNE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	36.7	Very low	241 Å²	241	102.2 Å²	102.2	100%	1.187	54%	0.544	S	S	*	.				0	109.3	0	-77.6	175.3	163.1	0	0	108.5
2	T	29.1	Very low	36.8	Very low	122 Å²	122	110.8 Å²	110.8	75%	0.748	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-72.2	127.7	177.9	-33.5	0	0	0	0	108.6	A4	T2-A4 PolarHBondContact O-N 2.75Å
3	P	32	Very low	36.8	Very low	98 Å²	98	119.2 Å²	119.2	64%	0.636	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-60.4	124.3	-178.6	-20.4	30.6	0	0	0	110.2	Y5	P3-Y5 PolarHBondContact O-N 2.96Å; P3-Y5 VanDerWaalsContact O-N 3.14Å
4	A	36.9	Very low	36.8	Very low	64 Å²	64	120.6 Å²	120.6	53%	0.529	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-58.7	118.8	171.3	0	0	0	0	0	108.6	T2 I6	T2-A4 PolarHBondContact O-N 2.75Å; A4-I6 HydrophobicContact CB-CD1 4.02Å; A4-I6 HydrophobicContact CB-CG1 3.77Å; A4-I6 PolarHBondContact O-N 3.17Å
5	Y	38.3	Very low	36.8	Very low	88 Å²	88	119.7 Å²	119.7	35%	0.345	61%	0.607	S	S	.	*			trans	-72	75.4	174.6	-62.1	-78.7	0	0	0	109.3	P3 F7 P122	P3-Y5 PolarHBondContact O-N 2.96Å; P3-Y5 VanDerWaalsContact O-N 3.14Å; Y5-F7 PolarHBondContact O-N 3.01Å; Y5-P122 HydrophobicContact CD1-CB 4.24Å; Y5-P122 HydrophobicContact CD1-CG 3.45Å; Y5-P122 VanDerWaalsContact CD1-CG 3.45Å; Y5-P122 HydrophobicContact CE1-CB 3.89Å; Y5-P122 HydrophobicContact CE1-CG 3.63Å
6	I	37.7	Very low	37.1	Very low	96 Å²	96	119.1 Å²	119.1	49%	0.492	62%	0.617	S	S	.	*			trans	-89.6	106.7	-179	-54	-176.2	0	0	0	108.7	A4 K8 Q46	A4-I6 HydrophobicContact CB-CD1 4.02Å; A4-I6 HydrophobicContact CB-CG1 3.77Å; A4-I6 PolarHBondContact O-N 3.17Å; I6-K8 PolarHBondContact O-N 3.14Å; I6-Q46 VanDerWaalsContact CD1-NE2 3.29Å; I6-Q46 VanDerWaalsContact CG1-NE2 3.31Å
7	F	41.5	Very low	37.2	Very low	40 Å²	40	116.1 Å²	116.1	18%	0.175	62%	0.622	C	S	.	*			trans	-75.9	87.2	169.5	-62.9	-74.1	0	0	0	109.7	Y5 V9 N42 I59 I119	Y5-F7 PolarHBondContact O-N 3.01Å; F7-V9 PolarHBondContact O-N 3.2Å; F7-N42 WeakPolarHBondContact CB-OD1 3.4Å; F7-N42 WeakPolarHBondContact CD2-OD1 3.44Å; F7-N42 PolarHBondContact N-OD1 3.34Å; F7-N42 VanDerWaalsContact N-OD1 3.14Å; F7-N42 PolarHBondContact O-ND2 3.48Å; F7-I59 HydrophobicContact CE2-CD1 3.91Å; F7-I59 HydrophobicContact CE2-CG1 4.19Å; F7-I59 HydrophobicContact CZ-CD1 4.22Å; F7-I119 HydrophobicContact CD1-CG2 3.45Å; F7-I119 VanDerWaalsContact CD1-CG2 3.45Å; F7-I119 HydrophobicContact CE1-CG2 3.36Å
8	K	37.5	Very low	37.2	Very low	182 Å²	182	112.9 Å²	112.9	79%	0.791	61%	0.61	S	S	*	*			trans	-76.9	98.7	176.8	-144.4	175.2	-172	177.5	0	109.7	I6 G10	I6-K8 PolarHBondContact O-N 3.14Å; K8-G10 PolarHBondContact O-N 3.36Å; K8-G10 VanDerWaalsContact O-N 3.13Å
9	V	39.2	Very low	37.3	Very low	43 Å²	43	117.4 Å²	117.4	26%	0.261	63%	0.629	S	S	.	*			trans	-78.5	93.8	172.7	-178	0	0	0	0	108	F7	F7-V9 PolarHBondContact O-N 3.2Å
10	G	34.1	Very low	37.6	Very low	39 Å²	39	114.4 Å²	114.4	40%	0.402	61%	0.613	S	S	.	*			trans	-107.4	138.5	177.3	0	0	0	0	0	111.8	K8	K8-G10 PolarHBondContact O-N 3.36Å; K8-G10 VanDerWaalsContact O-N 3.13Å
11	W	41	Very low	37.7	Very low	111 Å²	111	113.6 Å²	113.6	42%	0.42	61%	0.608	S	S	.	*			trans	-129.7	133.6	177.3	-66.9	71.8	0	0	0	110.4	M31 Y114	W11-M31 HydrophobicContact CH2-SD 3.97Å; W11-M31 HydrophobicContact CZ2-SD 4.23Å; W11-M31 HydrophobicContact CZ3-SD 4.22Å; W11-Y114 AromaticContact CE3-CD1 3.47Å; W11-Y114 HydrophobicContact CE3-CD1 3.47Å; W11-Y114 VanDerWaalsContact CE3-CD1 3.47Å; W11-Y114 AromaticContact CE3-CE1 3.99Å; W11-Y114 HydrophobicContact CE3-CE1 3.99Å; W11-Y114 HydrophobicContact CE3-CG 4.16Å; W11-Y114 HydrophobicContact CH2-CD1 4.32Å; W11-Y114 HydrophobicContact CH2-CG 4.22Å; W11-Y114 VanDerWaalsContact CZ3-CB 3.49Å; W11-Y114 AromaticContact CZ3-CD1 3.12Å; W11-Y114 HydrophobicContact CZ3-CD1 3.12Å; W11-Y114 HydrophobicContact CZ3-CD2 4.26Å; W11-Y114 AromaticContact CZ3-CE1 3.73Å; W11-Y114 HydrophobicContact CZ3-CE1 3.73Å; W11-Y114 AromaticContact CZ3-CG 3.38Å; W11-Y114 HydrophobicContact CZ3-CG 3.38Å
12	K	38.7	Very low	38.3	Very low	206 Å²	206	109.2 Å²	109.2	90%	0.896	58%	0.582	S	S	*	*			trans	-102	113.1	175.2	-161.1	176.2	-176.4	-179	0	108.7	N14	K12-N14 PolarHBondContact O-N 2.83Å
13	R	35.9	Very low	39.1	Very low	219 Å²	219	105.8 Å²	105.8	83%	0.826	56%	0.557	S	S	*	*			trans	-70.3	113.8	175.2	-155.9	-179.1	178.3	139.3	-2.7	107.7	V15	R13-V15 HydrophobicContact CG-CG2 3.84Å
14	N	37.9	Very low	39.8	Very low	140 Å²	140	104.5 Å²	104.5	75%	0.749	54%	0.542	S	S	*	.			trans	-113.5	103.3	170.1	-148.4	-14.3	0	0	0	107.3	K12 S16	K12-N14 PolarHBondContact O-N 2.83Å; N14-S16 VanDerWaalsContact C-N 3.31Å
15	V	36.4	Very low	40.5	Very low	107 Å²	107	105.5 Å²	105.5	65%	0.648	54%	0.535	S	S	*	.			trans	-87.2	-1.6	-166.4	-165.7	0	0	0	0	111.9	R13 G17	R13-V15 HydrophobicContact CG-CG2 3.84Å; V15-G17 PolarHBondContact O-N 2.9Å; V15-G17 VanDerWaalsContact O-N 3.12Å
16	S	41.5	Very low	41.1	Very low	109 Å²	109	101.5 Å²	101.5	76%	0.762	52%	0.521	S	S	*	.	S	Bend	trans	-87.1	27	-161.5	69.7	0	0	0	0	116.6	N14	N14-S16 VanDerWaalsContact C-N 3.31Å
17	G	38.6	Very low	41.6	Very low	68 Å²	68	97.5 Å²	97.5	70%	0.701	50%	0.5	S	S	*	.	S	Bend	trans	-161.1	-4	-175.6	0	0	0	0	0	121	V15	V15-G17 PolarHBondContact O-N 2.9Å; V15-G17 VanDerWaalsContact O-N 3.12Å
18	C	37.6	Very low	42.1	Very low	60 Å²	60	99.1 Å²	99.1	41%	0.405	51%	0.51	S	S	.	.			trans	-118.6	92.9	-169	-65.2	0	0	0	0	112.8	N20	C18-N20 PolarHBondContact O-N 2.82Å
19	M	38.8	Very low	42.9	Very low	197 Å²	197	93 Å²	93	97%	0.97	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	3.1	164.2	-83.4	-175.5	-84.4	0	0	113.7
20	N	43.1	Very low	43.7	Very low	57 Å²	57	93.3 Å²	93.3	31%	0.305	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	25.3	178.6	-98.1	-41.8	0	0	0	114.4	C18 K22 K23 F24	C18-N20 PolarHBondContact O-N 2.82Å; N20-K22 PolarHBondContact O-N 2.58Å; N20-K23 HydrophobicContact CB-CD 4.13Å; N20-K23 HydrophobicContact CB-CG 4.44Å; N20-K23 VanDerWaalsContact CG-CE 3.46Å; N20-K23 PolarHBondContact ND2-NZ 2.8Å; N20-K23 WeakPolarHBondContact O-CB 3.48Å; N20-K23 PolarHBondContact O-N 3.33Å; N20-K23 WeakPolarHBondContact OD1-CD 3.5Å; N20-K23 WeakPolarHBondContact OD1-CE 3.49Å; N20-K23 PolarHBondContact OD1-NZ 2.72Å; N20-F24 WeakPolarHBondContact O-CD2 3.45Å
21	L	39.5	Very low	44.6	Very low	99 Å²	99	92.7 Å²	92.7	52%	0.518	48%	0.478	S	S	.	.	H	α-helix	trans	-48	-37.6	175	-73.7	171.1	0	0	0	112.7	K23 F24 E25 I28	L21-K23 PolarHBondContact O-N 2.96Å; L21-K23 VanDerWaalsContact O-N 3.16Å; L21-F24 CarbonylContact O-C 3.52Å; L21-F24 WeakPolarHBondContact O-CA 3.17Å; L21-F24 PolarHBondContact O-N 3.19Å; L21-E25 PolarHBondContact O-N 3.49Å; L21-I28 HydrophobicContact CD2-CD1 3.92Å
22	K	48.5	Very low	45.3	Very low	148 Å²	148	91.3 Å²	91.3	64%	0.643	48%	0.483	S	S	*	.	H	α-helix	trans	-57.2	-23.8	174.7	-93.4	-164.9	-174.7	-173.9	0	115.2	N20 R89	N20-K22 PolarHBondContact O-N 2.58Å; K22-R89 PolarHBondContact O-NH2 2.87Å
23	K	47.1	Very low	46.5	Very low	50 Å²	50	87.3 Å²	87.3	22%	0.217	47%	0.467	C	S	.	.	H	α-helix	trans	-87.8	-24.8	173.9	-64.5	179.4	-171.9	164.5	0	112.2	N20 L21 I78 V97	N20-K23 HydrophobicContact CB-CD 4.13Å; N20-K23 HydrophobicContact CB-CG 4.44Å; N20-K23 VanDerWaalsContact CG-CE 3.46Å; N20-K23 PolarHBondContact ND2-NZ 2.8Å; N20-K23 WeakPolarHBondContact O-CB 3.48Å; N20-K23 PolarHBondContact O-N 3.33Å; N20-K23 WeakPolarHBondContact OD1-CD 3.5Å; N20-K23 WeakPolarHBondContact OD1-CE 3.49Å; N20-K23 PolarHBondContact OD1-NZ 2.72Å; L21-K23 PolarHBondContact O-N 2.96Å; L21-K23 VanDerWaalsContact O-N 3.16Å; K23-I78 WeakPolarHBondContact O-CD1 3.36Å; K23-V97 HydrophobicContact CD-CG1 3.96Å; K23-V97 HydrophobicContact CD-CG2 4.48Å
24	F	45.3	Very low	47.5	Very low	72 Å²	72	77.6 Å²	77.6	32%	0.316	43%	0.432	S	S	.	.	H	α-helix	trans	-95.3	-0.1	177.6	-66.7	-88.8	0	0	0	111.7	N20 L21 G26 I27 I28	N20-F24 WeakPolarHBondContact O-CD2 3.45Å; L21-F24 CarbonylContact O-C 3.52Å; L21-F24 WeakPolarHBondContact O-CA 3.17Å; L21-F24 PolarHBondContact O-N 3.19Å; F24-G26 VanDerWaalsContact C-N 3.3Å; F24-G26 PolarHBondContact O-N 3.28Å; F24-I27 HydrophobicContact CD1-CD1 3.53Å; F24-I27 HydrophobicContact CE1-CD1 4.07Å; F24-I27 HydrophobicContact CG-CD1 4.43Å; F24-I27 CarbonylContact O-C 3.56Å; F24-I27 WeakPolarHBondContact O-CA 3.42Å; F24-I27 VanDerWaalsContact O-CB 3.26Å; F24-I27 WeakPolarHBondContact O-CB 3.39Å; F24-I27 PolarHBondContact O-N 3.34Å; F24-I28 HydrophobicContact CB-CD1 4.12Å; F24-I28 HydrophobicContact CB-CG1 4.38Å; F24-I28 VanDerWaalsContact O-CG1 3.29Å; F24-I28 WeakPolarHBondContact O-CG1 3.36Å; F24-I28 PolarHBondContact O-N 3.5Å
25	E	51.8	Low	48.3	Very low	84 Å²	84	72.3 Å²	72.3	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-55.2	-44.7	-174.3	-174.4	169.3	-174.6	0	0	112.2	L21 I27 I28 A29 M87	L21-E25 PolarHBondContact O-N 3.49Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 2.98Å; E25-I28 CarbonylContact O-C 3.4Å; E25-I28 WeakPolarHBondContact O-CB 3.22Å; E25-I28 PolarHBondContact O-N 3.22Å; E25-A29 VanDerWaalsContact O-CB 3.29Å; E25-A29 WeakPolarHBondContact O-CB 3.16Å; E25-A29 PolarHBondContact O-N 3.45Å; E25-M87 WeakPolarHBondContact OE2-CE 3.4Å
26	G	51.4	Low	49.5	Very low	4 Å²	4	70.7 Å²	70.7	4%	0.041	40%	0.4	C	S	.	.	H	α-helix	trans	-69.6	-28.3	175.6	0	0	0	0	0	114.4	F24 Y30 L84	F24-G26 VanDerWaalsContact C-N 3.3Å; F24-G26 PolarHBondContact O-N 3.28Å; G26-Y30 VanDerWaalsContact O-CB 3.29Å; G26-Y30 WeakPolarHBondContact O-CB 3.43Å; G26-Y30 PolarHBondContact O-N 3.47Å; G26-L84 VanDerWaalsContact CA-CD1 3.49Å
27	I	49.2	Very low	50.6	Low	13 Å²	13	68.2 Å²	68.2	7%	0.067	38%	0.378	C	S	.	.	H	α-helix	trans	-66	-50.5	170.6	-57.2	179	0	0	0	108.3	F24 E25 A29 Y30 M31 F69 L73 I78 Y114	F24-I27 HydrophobicContact CD1-CD1 3.53Å; F24-I27 HydrophobicContact CE1-CD1 4.07Å; F24-I27 HydrophobicContact CG-CD1 4.43Å; F24-I27 CarbonylContact O-C 3.56Å; F24-I27 WeakPolarHBondContact O-CA 3.42Å; F24-I27 VanDerWaalsContact O-CB 3.26Å; F24-I27 WeakPolarHBondContact O-CB 3.39Å; F24-I27 PolarHBondContact O-N 3.34Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 2.98Å; I27-A29 VanDerWaalsContact C-N 3.31Å; I27-A29 PolarHBondContact O-N 3.27Å; I27-Y30 PolarHBondContact O-N 3.17Å; I27-M31 HydrophobicContact CG2-CE 3.86Å; I27-M31 WeakPolarHBondContact O-CE 3.2Å; I27-M31 WeakPolarHBondContact O-CG 3.38Å; I27-M31 PolarHBondContact O-N 3.03Å; I27-F69 HydrophobicContact CB-CZ 4.38Å; I27-F69 HydrophobicContact CG1-CZ 4.36Å; I27-F69 HydrophobicContact CG2-CE1 4.38Å; I27-F69 HydrophobicContact CG2-CZ 3.99Å; I27-L73 HydrophobicContact CD1-CD1 3.96Å; I27-L73 HydrophobicContact CD1-CD2 3.53Å; I27-L73 HydrophobicContact CD1-CG 4.3Å; I27-L73 HydrophobicContact CG1-CD1 4.47Å; I27-L73 HydrophobicContact CG1-CD2 3.52Å; I27-I78 HydrophobicContact CD1-CD1 4.42Å; I27-I78 HydrophobicContact CG1-CD1 3.93Å; I27-Y114 HydrophobicContact CG2-CE2 4.44Å
28	I	51.4	Low	51.7	Low	73 Å²	73	65.1 Å²	65.1	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-41.4	178.2	-65.3	165.4	0	0	0	110.8	L21 F24 E25 M31 P32	L21-I28 HydrophobicContact CD2-CD1 3.92Å; F24-I28 HydrophobicContact CB-CD1 4.12Å; F24-I28 HydrophobicContact CB-CG1 4.38Å; F24-I28 VanDerWaalsContact O-CG1 3.29Å; F24-I28 WeakPolarHBondContact O-CG1 3.36Å; F24-I28 PolarHBondContact O-N 3.5Å; E25-I28 CarbonylContact O-C 3.4Å; E25-I28 WeakPolarHBondContact O-CB 3.22Å; E25-I28 PolarHBondContact O-N 3.22Å; I28-M31 PolarHBondContact O-N 3.09Å; I28-P32 WeakPolarHBondContact O-CD 3.27Å
29	A	53.7	Low	52.8	Low	55 Å²	55	66.2 Å²	66.2	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-70.8	-35.2	178.2	0	0	0	0	0	112.5	E25 I27 P32 H33	E25-A29 VanDerWaalsContact O-CB 3.29Å; E25-A29 WeakPolarHBondContact O-CB 3.16Å; E25-A29 PolarHBondContact O-N 3.45Å; I27-A29 VanDerWaalsContact C-N 3.31Å; I27-A29 PolarHBondContact O-N 3.27Å; A29-P32 WeakPolarHBondContact O-CD 3.5Å; A29-H33 PolarHBondContact O-CD2 2.84Å; A29-H33 VanDerWaalsContact O-CD2 3.28Å
30	Y	55.1	Low	54	Low	48 Å²	48	63.3 Å²	63.3	19%	0.188	33%	0.33	C	S	.	.	H	α-helix	trans	-75	-24	176.6	-169.7	-114.4	0	0	0	113.1	G26 I27 H33 V34 F69 F81	G26-Y30 VanDerWaalsContact O-CB 3.29Å; G26-Y30 WeakPolarHBondContact O-CB 3.43Å; G26-Y30 PolarHBondContact O-N 3.47Å; I27-Y30 PolarHBondContact O-N 3.17Å; Y30-H33 HydrophobicContact CD2-CB 4.42Å; Y30-H33 WeakPolarHBondContact O-CB 3.45Å; Y30-H33 PolarHBondContact O-N 3.43Å; Y30-H33 VanDerWaalsContact O-N 3.1Å; Y30-V34 HydrophobicContact CD1-CG2 3.4Å; Y30-V34 VanDerWaalsContact CD1-CG2 3.4Å; Y30-V34 HydrophobicContact CE1-CG2 3.16Å; Y30-V34 HydrophobicContact CG-CG2 4.29Å; Y30-V34 PolarHBondContact O-N 3.49Å; Y30-V34 VanDerWaalsContact O-N 3.16Å; Y30-F69 HydrophobicContact CD1-CD1 4.45Å; Y30-F69 AromaticContact CD1-CD2 3.25Å; Y30-F69 HydrophobicContact CD1-CD2 3.25Å; Y30-F69 HydrophobicContact CD1-CE1 4.34Å; Y30-F69 AromaticContact CD1-CE2 3.13Å; Y30-F69 HydrophobicContact CD1-CE2 3.13Å; Y30-F69 AromaticContact CD1-CG 3.94Å; Y30-F69 HydrophobicContact CD1-CG 3.94Å; Y30-F69 AromaticContact CD1-CZ 3.71Å; Y30-F69 HydrophobicContact CD1-CZ 3.71Å; Y30-F69 HydrophobicContact CE1-CB 4.18Å; Y30-F69 AromaticContact CE1-CD2 3.32Å; Y30-F69 HydrophobicContact CE1-CD2 3.32Å; Y30-F69 AromaticContact CE1-CE2 3.76Å; Y30-F69 HydrophobicContact CE1-CE2 3.76Å; Y30-F69 AromaticContact CE1-CG 3.77Å; Y30-F69 HydrophobicContact CE1-CG 3.77Å; Y30-F69 HydrophobicContact CG-CD2 4.21Å; Y30-F69 AromaticContact CG-CE2 3.82Å; Y30-F69 HydrophobicContact CG-CE2 3.82Å; Y30-F69 HydrophobicContact CG-CZ 4.48Å; Y30-F81 AromaticContact CD1-CZ 3.99Å; Y30-F81 HydrophobicContact CD1-CZ 3.99Å; Y30-F81 HydrophobicContact CD2-CD1 4.11Å; Y30-F81 AromaticContact CD2-CE1 3.14Å; Y30-F81 HydrophobicContact CD2-CE1 3.14Å; Y30-F81 HydrophobicContact CD2-CE2 4.43Å; Y30-F81 AromaticContact CD2-CZ 3.32Å; Y30-F81 HydrophobicContact CD2-CZ 3.32Å; Y30-F81 HydrophobicContact CE1-CZ 4.1Å; Y30-F81 HydrophobicContact CE2-CD1 4.49Å; Y30-F81 AromaticContact CE2-CE1 3.29Å; Y30-F81 HydrophobicContact CE2-CE1 3.29Å; Y30-F81 AromaticContact CE2-CZ 3.5Å; Y30-F81 HydrophobicContact CE2-CZ 3.5Å; Y30-F81 AromaticContact CG-CE1 3.88Å; Y30-F81 HydrophobicContact CG-CE1 3.88Å; Y30-F81 HydrophobicContact CG-CE2 4.38Å; Y30-F81 AromaticContact CG-CZ 3.58Å; Y30-F81 HydrophobicContact CG-CZ 3.58Å; Y30-F81 AromaticContact CZ-CZ 3.88Å
31	M	53.6	Low	55	Low	27 Å²	27	62.1 Å²	62.1	13%	0.133	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-43.1	-174.1	-74.9	-44.5	92.1	0	0	114.9	W11 I27 I28 H33 V34 S35 F69	W11-M31 HydrophobicContact CH2-SD 3.97Å; W11-M31 HydrophobicContact CZ2-SD 4.23Å; W11-M31 HydrophobicContact CZ3-SD 4.22Å; I27-M31 HydrophobicContact CG2-CE 3.86Å; I27-M31 WeakPolarHBondContact O-CE 3.2Å; I27-M31 WeakPolarHBondContact O-CG 3.38Å; I27-M31 PolarHBondContact O-N 3.03Å; I28-M31 PolarHBondContact O-N 3.09Å; M31-H33 VanDerWaalsContact C-N 3.25Å; M31-H33 PolarHBondContact O-N 3.29Å; M31-V34 PolarHBondContact O-N 2.79Å; M31-S35 PolarHBondContact O-N 3.01Å; M31-S35 PolarHBondContact O-OG 3.45Å; M31-F69 HydrophobicContact CE-CD1 4.33Å; M31-F69 HydrophobicContact CE-CE1 3.32Å; M31-F69 HydrophobicContact CE-CE2 4.25Å; M31-F69 HydrophobicContact CE-CZ 3.26Å
32	P	56.4	Low	55.9	Low	82 Å²	82	57.9 Å²	57.9	53%	0.532	30%	0.301	S	S	.	.	H	α-helix	trans	-57.5	-37.7	173.2	-27.4	34.6	0	0	0	112.9	I28 A29 S35 S36	I28-P32 WeakPolarHBondContact O-CD 3.27Å; A29-P32 WeakPolarHBondContact O-CD 3.5Å; P32-S35 PolarHBondContact O-N 2.71Å; P32-S36 VanDerWaalsContact O-CB 3.24Å; P32-S36 WeakPolarHBondContact O-CB 3.32Å; P32-S36 PolarHBondContact O-N 2.91Å
33	H	63.1	Low	56.6	Low	121 Å²	121	56.4 Å²	56.4	56%	0.56	30%	0.299	S	S	*	.	H	α-helix	trans	-66.7	-45.7	179	-62.9	-76.8	0	0	0	111.6	A29 Y30 M31 S35 S36 D37	A29-H33 PolarHBondContact O-CD2 2.84Å; A29-H33 VanDerWaalsContact O-CD2 3.28Å; Y30-H33 HydrophobicContact CD2-CB 4.42Å; Y30-H33 WeakPolarHBondContact O-CB 3.45Å; Y30-H33 PolarHBondContact O-N 3.43Å; Y30-H33 VanDerWaalsContact O-N 3.1Å; M31-H33 VanDerWaalsContact C-N 3.25Å; M31-H33 PolarHBondContact O-N 3.29Å; H33-S35 VanDerWaalsContact C-N 3.31Å; H33-S35 PolarHBondContact O-N 3.18Å; H33-S36 PolarHBondContact O-N 3.31Å; H33-D37 WeakPolarHBondContact O-CB 3.45Å; H33-D37 PolarHBondContact O-N 2.95Å
34	V	57.3	Low	57.2	Low	16 Å²	16	59.2 Å²	59.2	10%	0.097	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-42.1	176.4	177.5	0	0	0	0	111.5	Y30 M31 G38 F62 L66	Y30-V34 HydrophobicContact CD1-CG2 3.4Å; Y30-V34 VanDerWaalsContact CD1-CG2 3.4Å; Y30-V34 HydrophobicContact CE1-CG2 3.16Å; Y30-V34 HydrophobicContact CG-CG2 4.29Å; Y30-V34 PolarHBondContact O-N 3.49Å; Y30-V34 VanDerWaalsContact O-N 3.16Å; M31-V34 PolarHBondContact O-N 2.79Å; V34-G38 PolarHBondContact O-N 3.01Å; V34-F62 HydrophobicContact CG1-CE2 4.13Å; V34-F62 HydrophobicContact CG1-CZ 4.09Å; V34-L66 HydrophobicContact CG1-CD2 3.64Å
35	S	55.2	Low	57.7	Low	28 Å²	28	56.5 Å²	56.5	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-69.8	-39.8	-179.2	-55.7	0	0	0	0	111.8	M31 P32 H33 G38 N39	M31-S35 PolarHBondContact O-N 3.01Å; M31-S35 PolarHBondContact O-OG 3.45Å; P32-S35 PolarHBondContact O-N 2.71Å; H33-S35 VanDerWaalsContact C-N 3.31Å; H33-S35 PolarHBondContact O-N 3.18Å; S35-G38 PolarHBondContact O-N 2.95Å; S35-N39 WeakPolarHBondContact O-CB 3.49Å; S35-N39 PolarHBondContact O-N 3.48Å
36	S	61.9	Low	57.9	Low	74 Å²	74	57.3 Å²	57.3	52%	0.517	31%	0.306	S	S	.	.	H	α-helix	trans	-64.7	-46.9	175.1	-172.9	0	0	0	0	111.7	P32 H33 G38 N39 K40	P32-S36 VanDerWaalsContact O-CB 3.24Å; P32-S36 WeakPolarHBondContact O-CB 3.32Å; P32-S36 PolarHBondContact O-N 2.91Å; H33-S36 PolarHBondContact O-N 3.31Å; S36-G38 VanDerWaalsContact C-N 3.34Å; S36-G38 PolarHBondContact O-N 3.41Å; S36-N39 PolarHBondContact O-N 3.3Å; S36-K40 WeakPolarHBondContact O-CB 3.32Å; S36-K40 PolarHBondContact O-N 3.21Å
37	D	64.6	Low	58.2	Low	56 Å²	56	60.3 Å²	60.3	30%	0.299	34%	0.337	S	S	.	.	H	α-helix	trans	-58.4	-46.3	175.4	-87.4	10.5	0	0	0	110.9	H33 K40 M41 F62 K65	H33-D37 WeakPolarHBondContact O-CB 3.45Å; H33-D37 PolarHBondContact O-N 2.95Å; D37-K40 PolarHBondContact O-N 2.76Å; D37-M41 WeakPolarHBondContact O-CB 3.38Å; D37-M41 VanDerWaalsContact O-CG 3.3Å; D37-M41 WeakPolarHBondContact O-CG 3.48Å; D37-M41 PolarHBondContact O-N 2.91Å; D37-F62 HydrophobicContact CB-CE2 4.45Å; D37-K65 IonicContact OD2-NZ 2.78Å; D37-K65 PolarHBondContact OD2-NZ 3.4Å
38	G	60.2	Low	58.4	Low	4 Å²	4	64.3 Å²	64.3	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-43.2	177.7	0	0	0	0	0	113	V34 S35 S36 M41 N42	V34-G38 PolarHBondContact O-N 3.01Å; S35-G38 PolarHBondContact O-N 2.95Å; S36-G38 VanDerWaalsContact C-N 3.34Å; S36-G38 PolarHBondContact O-N 3.41Å; G38-M41 PolarHBondContact O-N 3.48Å; G38-N42 PolarHBondContact O-N 3.26Å
39	N	61.4	Low	58.5	Low	83 Å²	83	69.9 Å²	69.9	44%	0.444	38%	0.38	S	S	.	.	H	α-helix	trans	-67.7	-41.2	176.8	-80.1	-11.9	0	0	0	112.4	S35 S36 M41 N42 L43	S35-N39 WeakPolarHBondContact O-CB 3.49Å; S35-N39 PolarHBondContact O-N 3.48Å; S36-N39 PolarHBondContact O-N 3.3Å; N39-M41 VanDerWaalsContact C-N 3.27Å; N39-M41 PolarHBondContact O-N 2.91Å; N39-N42 WeakPolarHBondContact O-CB 3.34Å; N39-N42 PolarHBondContact O-N 3.46Å; N39-L43 WeakPolarHBondContact O-CG 3.48Å; N39-L43 PolarHBondContact O-N 3.49Å
40	K	65	Low	58.3	Low	135 Å²	135	71.9 Å²	71.9	59%	0.587	38%	0.383	S	S	*	.	H	α-helix	trans	-60.2	-40.9	175.1	-174.5	176.1	-179.9	178.3	0	111.1	S36 D37 L43 Q44	S36-K40 WeakPolarHBondContact O-CB 3.32Å; S36-K40 PolarHBondContact O-N 3.21Å; D37-K40 PolarHBondContact O-N 2.76Å; K40-L43 PolarHBondContact O-N 2.95Å; K40-Q44 WeakPolarHBondContact O-CG 3.49Å; K40-Q44 PolarHBondContact O-N 3.28Å; K40-Q44 VanDerWaalsContact O-N 3.12Å
41	M	62.8	Low	58.3	Low	32 Å²	32	75.8 Å²	75.8	16%	0.158	40%	0.401	C	S	.	.	H	α-helix	trans	-67	-40.5	174.4	-72.8	177.5	41.1	0	0	112.6	D37 G38 N39 L43 Q44 V45 A58 I59 F62	D37-M41 WeakPolarHBondContact O-CB 3.38Å; D37-M41 VanDerWaalsContact O-CG 3.3Å; D37-M41 WeakPolarHBondContact O-CG 3.48Å; D37-M41 PolarHBondContact O-N 2.91Å; G38-M41 PolarHBondContact O-N 3.48Å; N39-M41 VanDerWaalsContact C-N 3.27Å; N39-M41 PolarHBondContact O-N 2.91Å; M41-L43 VanDerWaalsContact C-N 3.27Å; M41-L43 PolarHBondContact O-N 2.92Å; M41-Q44 WeakPolarHBondContact O-CB 3.32Å; M41-Q44 PolarHBondContact O-N 2.78Å; M41-Q44 VanDerWaalsContact O-N 3.13Å; M41-V45 WeakPolarHBondContact O-CG2 3.5Å; M41-V45 PolarHBondContact O-N 3.36Å; M41-A58 HydrophobicContact CE-CB 3.84Å; M41-A58 WeakPolarHBondContact CE-O 3.5Å; M41-A58 HydrophobicContact SD-CB 4.5Å; M41-I59 HydrophobicContact CE-CG1 4.48Å; M41-F62 HydrophobicContact CE-CB 3.45Å; M41-F62 VanDerWaalsContact CE-CB 3.45Å; M41-F62 HydrophobicContact CE-CG 4.04Å; M41-F62 HydrophobicContact SD-CB 3.6Å; M41-F62 VanDerWaalsContact SD-CB 3.6Å; M41-F62 HydrophobicContact SD-CD2 3.97Å; M41-F62 HydrophobicContact SD-CG 4.01Å
42	N	58.6	Low	58.5	Low	11 Å²	11	78.8 Å²	78.8	6%	0.059	42%	0.417	C	S	.	.	H	α-helix	trans	-56.5	-42.9	173	-77.9	-27.4	0	0	0	111.9	F7 G38 N39 Q44 V45 Q46	F7-N42 WeakPolarHBondContact CB-OD1 3.4Å; F7-N42 WeakPolarHBondContact CD2-OD1 3.44Å; F7-N42 PolarHBondContact N-OD1 3.34Å; F7-N42 VanDerWaalsContact N-OD1 3.14Å; F7-N42 PolarHBondContact O-ND2 3.48Å; G38-N42 PolarHBondContact O-N 3.26Å; N39-N42 WeakPolarHBondContact O-CB 3.34Å; N39-N42 PolarHBondContact O-N 3.46Å; N42-Q44 VanDerWaalsContact C-N 3.33Å; N42-Q44 PolarHBondContact O-N 2.91Å; N42-V45 PolarHBondContact O-N 3.44Å; N42-Q46 WeakPolarHBondContact O-CG 3.44Å; N42-Q46 PolarHBondContact O-N 3.19Å
43	L	63.9	Low	58.7	Low	117 Å²	117	80 Å²	80	61%	0.613	42%	0.422	S	S	*	.	H	α-helix	trans	-62.7	-39.8	177.2	-68.5	172	0	0	0	111.7	N39 K40 M41 V45 Q46 G47	N39-L43 WeakPolarHBondContact O-CG 3.48Å; N39-L43 PolarHBondContact O-N 3.49Å; K40-L43 PolarHBondContact O-N 2.95Å; M41-L43 VanDerWaalsContact C-N 3.27Å; M41-L43 PolarHBondContact O-N 2.92Å; L43-V45 VanDerWaalsContact C-N 3.32Å; L43-V45 PolarHBondContact O-N 3.45Å; L43-Q46 PolarHBondContact O-N 3.2Å; L43-G47 PolarHBondContact O-N 3.36Å
44	Q	60.2	Low	58.6	Low	108 Å²	108	79.2 Å²	79.2	51%	0.505	42%	0.418	S	S	.	.	H	α-helix	trans	-64.4	-36.7	174.3	-70.3	179.2	-2.2	0	0	112.5	K40 M41 N42 Q46 E48	K40-Q44 WeakPolarHBondContact O-CG 3.49Å; K40-Q44 PolarHBondContact O-N 3.28Å; K40-Q44 VanDerWaalsContact O-N 3.12Å; M41-Q44 WeakPolarHBondContact O-CB 3.32Å; M41-Q44 PolarHBondContact O-N 2.78Å; M41-Q44 VanDerWaalsContact O-N 3.13Å; N42-Q44 VanDerWaalsContact C-N 3.33Å; N42-Q44 PolarHBondContact O-N 2.91Å; Q44-Q46 VanDerWaalsContact C-N 3.34Å; Q44-E48 PolarHBondContact O-N 3.15Å
45	V	55.1	Low	58.7	Low	16 Å²	16	79 Å²	79	10%	0.097	42%	0.417	C	S	.	.	H	α-helix	trans	-72.6	-27.5	177.7	175.9	0	0	0	0	112.4	M41 N42 L43 T55	M41-V45 WeakPolarHBondContact O-CG2 3.5Å; M41-V45 PolarHBondContact O-N 3.36Å; N42-V45 PolarHBondContact O-N 3.44Å; L43-V45 VanDerWaalsContact C-N 3.32Å; L43-V45 PolarHBondContact O-N 3.45Å; V45-T55 HydrophobicContact CB-CG2 4.38Å; V45-T55 HydrophobicContact CG1-CG2 3.92Å; V45-T55 HydrophobicContact CG2-CG2 3.57Å
46	Q	56.5	Low	59.1	Low	100 Å²	100	82 Å²	82	47%	0.467	43%	0.426	S	S	.	.	H	α-helix	trans	-85.5	-36	177.3	-73.4	-179.4	-28.7	0	0	113.6	I6 N42 L43 Q44	I6-Q46 VanDerWaalsContact CD1-NE2 3.29Å; I6-Q46 VanDerWaalsContact CG1-NE2 3.31Å; N42-Q46 WeakPolarHBondContact O-CG 3.44Å; N42-Q46 PolarHBondContact O-N 3.19Å; L43-Q46 PolarHBondContact O-N 3.2Å; Q44-Q46 VanDerWaalsContact C-N 3.34Å
47	G	56.7	Low	59.2	Low	67 Å²	67	81.5 Å²	81.5	69%	0.691	42%	0.422	S	S	*	.	H	α-helix	trans	-88.2	-31.6	-168.7	0	0	0	0	0	115.4	L43	L43-G47 PolarHBondContact O-N 3.36Å
48	E	53.1	Low	58.9	Low	98 Å²	98	79.8 Å²	79.8	46%	0.458	42%	0.415	S	S	.	.	S	Bend	trans	-93.3	124.4	173.7	-74.1	-166.1	-175.2	0	0	109.4	Q44 L50 K54	Q44-E48 PolarHBondContact O-N 3.15Å; E48-L50 PolarHBondContact O-N 3.15Å; E48-K54 IonicContact OE1-NZ 2.96Å; E48-K54 PolarHBondContact OE1-NZ 3.4Å; E48-K54 WeakPolarHBondContact OE2-CD 3.04Å; E48-K54 IonicContact OE2-NZ 3.26Å; E48-K54 PolarHBondContact OE2-NZ 3.39Å
49	E	53.2	Low	58.9	Low	190 Å²	190	80.6 Å²	80.6	89%	0.888	42%	0.419	S	S	*	.	S	Bend	trans	-40.5	108.6	160.2	-166.7	175.4	-139.2	0	0	108	K51	E49-K51 PolarHBondContact O-N 3.35Å
50	L	50.4	Low	59	Low	96 Å²	96	79.7 Å²	79.7	50%	0.503	42%	0.418	S	S	.	.			trans	-37.3	90.3	-164	-87.3	141.8	0	0	0	113.2	E48 L52 T55	E48-L50 PolarHBondContact O-N 3.15Å; L50-L52 HydrophobicContact CD2-CD1 4.43Å; L50-L52 PolarHBondContact O-N 3.14Å; L50-T55 HydrophobicContact CD2-CG2 4.4Å
51	K	55.9	Low	59	Low	131 Å²	131	76.2 Å²	76.2	57%	0.57	41%	0.411	S	S	*	.			trans	-71.4	81.3	152.2	-74.7	-173.6	179.7	-178	0	104.9	E49 T53 K54 T55	E49-K51 PolarHBondContact O-N 3.35Å; K51-T53 CarbonylContact O-C 3.52Å; K51-T53 PolarHBondContact O-N 2.66Å; K51-K54 HydrophobicContact CB-CB 4.26Å; K51-K54 HydrophobicContact CB-CD 4.18Å; K51-K54 HydrophobicContact CB-CG 4.09Å; K51-K54 HydrophobicContact CD-CD 4.28Å; K51-K54 WeakPolarHBondContact O-CA 3.42Å; K51-K54 WeakPolarHBondContact O-CB 3.42Å; K51-K54 PolarHBondContact O-N 2.81Å; K51-T55 PolarHBondContact O-N 3.36Å
52	L	57.3	Low	59	Low	90 Å²	90	75.7 Å²	75.7	47%	0.471	41%	0.408	S	S	.	.	H	α-helix	trans	-43.5	-36.6	-175.5	-174	70.6	0	0	0	111.8	L50 T55 K56	L50-L52 HydrophobicContact CD2-CD1 4.43Å; L50-L52 PolarHBondContact O-N 3.14Å; L52-T55 PolarHBondContact O-N 3.36Å; L52-K56 HydrophobicContact CG-CD 4.2Å; L52-K56 WeakPolarHBondContact O-CB 3.43Å; L52-K56 VanDerWaalsContact O-CG 3.22Å; L52-K56 WeakPolarHBondContact O-CG 3.35Å; L52-K56 PolarHBondContact O-N 3.12Å
53	T	60.5	Low	59.1	Low	106 Å²	106	78.6 Å²	78.6	65%	0.65	43%	0.427	S	S	*	.	H	α-helix	trans	-59.3	-51.2	173.7	-47.4	0	0	0	0	113	K51 T55 K56 C57	K51-T53 CarbonylContact O-C 3.52Å; K51-T53 PolarHBondContact O-N 2.66Å; T53-T55 PolarHBondContact O-N 3.47Å; T53-K56 PolarHBondContact O-N 2.79Å; T53-C57 PolarHBondContact O-N 3.4Å; T53-C57 PolarHBondContact O-SG 2.73Å
54	K	61.6	Low	59	Low	106 Å²	106	76.3 Å²	76.3	46%	0.461	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-44.9	177.5	-71.3	-172.5	-179.3	178	0	111.2	E48 K51 K56 C57 A58	E48-K54 IonicContact OE1-NZ 2.96Å; E48-K54 PolarHBondContact OE1-NZ 3.4Å; E48-K54 WeakPolarHBondContact OE2-CD 3.04Å; E48-K54 IonicContact OE2-NZ 3.26Å; E48-K54 PolarHBondContact OE2-NZ 3.39Å; K51-K54 HydrophobicContact CB-CB 4.26Å; K51-K54 HydrophobicContact CB-CD 4.18Å; K51-K54 HydrophobicContact CB-CG 4.09Å; K51-K54 HydrophobicContact CD-CD 4.28Å; K51-K54 WeakPolarHBondContact O-CA 3.42Å; K51-K54 WeakPolarHBondContact O-CB 3.42Å; K51-K54 PolarHBondContact O-N 2.81Å; K54-K56 PolarHBondContact O-N 3.34Å; K54-C57 PolarHBondContact O-N 3Å; K54-A58 WeakPolarHBondContact O-CB 3.46Å; K54-A58 PolarHBondContact O-N 3.07Å
55	T	58.6	Low	59.2	Low	12 Å²	12	75.6 Å²	75.6	7%	0.074	42%	0.415	C	S	.	.	H	α-helix	trans	-59.7	-45.8	177.2	-58.3	0	0	0	0	111.7	V45 L50 K51 L52 T53 A58 I59	V45-T55 HydrophobicContact CB-CG2 4.38Å; V45-T55 HydrophobicContact CG1-CG2 3.92Å; V45-T55 HydrophobicContact CG2-CG2 3.57Å; L50-T55 HydrophobicContact CD2-CG2 4.4Å; K51-T55 PolarHBondContact O-N 3.36Å; L52-T55 PolarHBondContact O-N 3.36Å; T53-T55 PolarHBondContact O-N 3.47Å; T55-A58 PolarHBondContact O-N 2.93Å; T55-I59 HydrophobicContact CG2-CD1 3.72Å; T55-I59 WeakPolarHBondContact O-CB 3.46Å; T55-I59 VanDerWaalsContact O-CG1 3.27Å; T55-I59 WeakPolarHBondContact O-CG1 3.41Å; T55-I59 PolarHBondContact O-N 3.13Å
56	K	63.3	Low	59.5	Low	89 Å²	89	77.2 Å²	77.2	39%	0.387	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-46.5	176.7	-77.3	173.1	175.7	179.8	0	111.9	L52 T53 K54 A58 I59 S60 F125	L52-K56 HydrophobicContact CG-CD 4.2Å; L52-K56 WeakPolarHBondContact O-CB 3.43Å; L52-K56 VanDerWaalsContact O-CG 3.22Å; L52-K56 WeakPolarHBondContact O-CG 3.35Å; L52-K56 PolarHBondContact O-N 3.12Å; T53-K56 PolarHBondContact O-N 2.79Å; K54-K56 PolarHBondContact O-N 3.34Å; K56-A58 PolarHBondContact O-N 2.91Å; K56-I59 PolarHBondContact O-N 2.96Å; K56-S60 VanDerWaalsContact O-CB 3.32Å; K56-S60 WeakPolarHBondContact O-CB 3.42Å; K56-S60 PolarHBondContact O-N 3.38Å; K56-F125 HydrophobicContact CG-CE1 4.48Å
57	C	64.2	Low	59.8	Low	65 Å²	65	76 Å²	76	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-61.3	-44.1	177.8	-68.7	0	0	0	0	111.9	T53 K54 S60 S61	T53-C57 PolarHBondContact O-N 3.4Å; T53-C57 PolarHBondContact O-SG 2.73Å; K54-C57 PolarHBondContact O-N 3Å; C57-S60 PolarHBondContact O-N 3.4Å; C57-S61 WeakPolarHBondContact O-CB 3.3Å; C57-S61 PolarHBondContact O-N 2.95Å
58	A	58.2	Low	59.9	Low	19 Å²	19	78.6 Å²	78.6	16%	0.157	41%	0.412	C	S	.	.	H	α-helix	trans	-60.7	-51.1	177.9	0	0	0	0	0	110.8	M41 K54 T55 K56 S60 S61 F62	M41-A58 HydrophobicContact CE-CB 3.84Å; M41-A58 WeakPolarHBondContact CE-O 3.5Å; M41-A58 HydrophobicContact SD-CB 4.5Å; K54-A58 WeakPolarHBondContact O-CB 3.46Å; K54-A58 PolarHBondContact O-N 3.07Å; T55-A58 PolarHBondContact O-N 2.93Å; K56-A58 PolarHBondContact O-N 2.91Å; A58-S60 VanDerWaalsContact C-N 3.33Å; A58-S60 PolarHBondContact O-N 3.26Å; A58-S61 PolarHBondContact O-N 3.39Å; A58-F62 PolarHBondContact O-N 2.93Å
59	I	61.4	Low	60	Low	22 Å²	22	74.8 Å²	74.8	11%	0.113	39%	0.394	C	S	.	.	H	α-helix	trans	-60.3	-42.1	179.3	-68	167.6	0	0	0	111.6	F7 M41 T55 K56 F62 T63 F125	F7-I59 HydrophobicContact CE2-CD1 3.91Å; F7-I59 HydrophobicContact CE2-CG1 4.19Å; F7-I59 HydrophobicContact CZ-CD1 4.22Å; M41-I59 HydrophobicContact CE-CG1 4.48Å; T55-I59 HydrophobicContact CG2-CD1 3.72Å; T55-I59 WeakPolarHBondContact O-CB 3.46Å; T55-I59 VanDerWaalsContact O-CG1 3.27Å; T55-I59 WeakPolarHBondContact O-CG1 3.41Å; T55-I59 PolarHBondContact O-N 3.13Å; K56-I59 PolarHBondContact O-N 2.96Å; I59-F62 PolarHBondContact O-N 2.96Å; I59-T63 WeakPolarHBondContact O-CB 3.24Å; I59-T63 PolarHBondContact O-N 3.18Å; I59-T63 PolarHBondContact O-OG1 3.39Å; I59-F125 HydrophobicContact CD1-CE1 3.53Å; I59-F125 HydrophobicContact CD1-CE2 4.41Å; I59-F125 HydrophobicContact CD1-CZ 3.44Å; I59-F125 VanDerWaalsContact CD1-CZ 3.44Å
60	S	63.3	Low	60.2	Low	63 Å²	63	72.5 Å²	72.5	44%	0.441	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-45.7	177.4	-178.5	0	0	0	0	112	K56 C57 A58 F62 T63 S64	K56-S60 VanDerWaalsContact O-CB 3.32Å; K56-S60 WeakPolarHBondContact O-CB 3.42Å; K56-S60 PolarHBondContact O-N 3.38Å; C57-S60 PolarHBondContact O-N 3.4Å; A58-S60 VanDerWaalsContact C-N 3.33Å; A58-S60 PolarHBondContact O-N 3.26Å; S60-F62 VanDerWaalsContact C-N 3.34Å; S60-F62 PolarHBondContact O-N 2.76Å; S60-T63 PolarHBondContact O-N 3.28Å; S60-S64 WeakPolarHBondContact O-CB 3.49Å; S60-S64 PolarHBondContact O-N 3.13Å; S60-S64 PolarHBondContact O-OG 2.59Å
61	S	64.4	Low	60.5	Low	63 Å²	63	72.8 Å²	72.8	44%	0.441	38%	0.375	S	S	.	.	H	α-helix	trans	-59.5	-45.2	176.3	-175.2	0	0	0	0	111.5	C57 A58 S64 K65	C57-S61 WeakPolarHBondContact O-CB 3.3Å; C57-S61 PolarHBondContact O-N 2.95Å; A58-S61 PolarHBondContact O-N 3.39Å; S61-S64 PolarHBondContact O-N 2.97Å; S61-K65 WeakPolarHBondContact O-CG 3.47Å; S61-K65 PolarHBondContact O-N 2.96Å
62	F	63.3	Low	60.2	Low	20 Å²	20	67.4 Å²	67.4	9%	0.088	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-43.4	177.8	-175.4	-105.8	0	0	0	113.2	V34 D37 M41 A58 I59 S60 S64 K65 L66 I119	V34-F62 HydrophobicContact CG1-CE2 4.13Å; V34-F62 HydrophobicContact CG1-CZ 4.09Å; D37-F62 HydrophobicContact CB-CE2 4.45Å; M41-F62 HydrophobicContact CE-CB 3.45Å; M41-F62 VanDerWaalsContact CE-CB 3.45Å; M41-F62 HydrophobicContact CE-CG 4.04Å; M41-F62 HydrophobicContact SD-CB 3.6Å; M41-F62 VanDerWaalsContact SD-CB 3.6Å; M41-F62 HydrophobicContact SD-CD2 3.97Å; M41-F62 HydrophobicContact SD-CG 4.01Å; A58-F62 PolarHBondContact O-N 2.93Å; I59-F62 PolarHBondContact O-N 2.96Å; S60-F62 VanDerWaalsContact C-N 3.34Å; S60-F62 PolarHBondContact O-N 2.76Å; F62-S64 VanDerWaalsContact C-N 3.25Å; F62-S64 PolarHBondContact O-N 3.41Å; F62-K65 WeakPolarHBondContact O-CB 3.39Å; F62-K65 PolarHBondContact O-N 3Å; F62-L66 HydrophobicContact CD1-CD1 3.86Å; F62-L66 HydrophobicContact CD1-CG 4.34Å; F62-L66 HydrophobicContact CE1-CD1 3.44Å; F62-L66 VanDerWaalsContact CE1-CD1 3.44Å; F62-L66 HydrophobicContact CE1-CG 4.05Å; F62-L66 HydrophobicContact CZ-CD1 4Å; F62-L66 HydrophobicContact CZ-CD2 4.37Å; F62-L66 HydrophobicContact CZ-CG 4.23Å; F62-L66 WeakPolarHBondContact O-CG 3.39Å; F62-L66 PolarHBondContact O-N 2.85Å; F62-I119 HydrophobicContact CE1-CD1 4.16Å
63	T	60.9	Low	59.8	Low	73 Å²	73	65.7 Å²	65.7	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-38.5	177.3	-54.6	0	0	0	0	110.8	I59 S60 L66 L67	I59-T63 WeakPolarHBondContact O-CB 3.24Å; I59-T63 PolarHBondContact O-N 3.18Å; I59-T63 PolarHBondContact O-OG1 3.39Å; S60-T63 PolarHBondContact O-N 3.28Å; T63-L66 PolarHBondContact O-N 2.92Å; T63-L67 WeakPolarHBondContact O-CB 3.29Å; T63-L67 PolarHBondContact O-N 3.23Å
64	S	60.9	Low	59.3	Low	69 Å²	69	67.6 Å²	67.6	48%	0.483	34%	0.344	S	S	.	.	H	α-helix	trans	-66	-43.8	175.7	-61.4	0	0	0	0	112.1	S60 S61 F62 L66 L67 F68	S60-S64 WeakPolarHBondContact O-CB 3.49Å; S60-S64 PolarHBondContact O-N 3.13Å; S60-S64 PolarHBondContact O-OG 2.59Å; S61-S64 PolarHBondContact O-N 2.97Å; F62-S64 VanDerWaalsContact C-N 3.25Å; F62-S64 PolarHBondContact O-N 3.41Å; S64-L66 PolarHBondContact O-N 3.47Å; S64-L67 PolarHBondContact O-N 3.37Å; S64-F68 WeakPolarHBondContact O-CB 3.01Å; S64-F68 PolarHBondContact O-N 3.43Å
65	K	64.7	Low	58.7	Low	92 Å²	92	72.3 Å²	72.3	40%	0.4	36%	0.359	S	S	.	.	H	α-helix	trans	-58.7	-44.5	172.8	-75.6	177.9	174	-179	0	111.8	D37 S61 F62 F68 F69	D37-K65 IonicContact OD2-NZ 2.78Å; D37-K65 PolarHBondContact OD2-NZ 3.4Å; S61-K65 WeakPolarHBondContact O-CG 3.47Å; S61-K65 PolarHBondContact O-N 2.96Å; F62-K65 WeakPolarHBondContact O-CB 3.39Å; F62-K65 PolarHBondContact O-N 3Å; K65-F68 PolarHBondContact O-N 3.44Å; K65-F69 WeakPolarHBondContact O-CB 3.38Å; K65-F69 PolarHBondContact O-N 2.95Å
66	L	61.3	Low	58.2	Low	51 Å²	51	80.1 Å²	80.1	27%	0.267	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-42.3	177.1	-74.3	179.6	0	0	0	112.3	V34 F62 T63 S64 F69 R70 I119	V34-L66 HydrophobicContact CG1-CD2 3.64Å; F62-L66 HydrophobicContact CD1-CD1 3.86Å; F62-L66 HydrophobicContact CD1-CG 4.34Å; F62-L66 HydrophobicContact CE1-CD1 3.44Å; F62-L66 VanDerWaalsContact CE1-CD1 3.44Å; F62-L66 HydrophobicContact CE1-CG 4.05Å; F62-L66 HydrophobicContact CZ-CD1 4Å; F62-L66 HydrophobicContact CZ-CD2 4.37Å; F62-L66 HydrophobicContact CZ-CG 4.23Å; F62-L66 WeakPolarHBondContact O-CG 3.39Å; F62-L66 PolarHBondContact O-N 2.85Å; T63-L66 PolarHBondContact O-N 2.92Å; S64-L66 PolarHBondContact O-N 3.47Å; L66-F69 PolarHBondContact O-N 3.39Å; L66-R70 WeakPolarHBondContact O-CB 3.47Å; L66-R70 PolarHBondContact O-N 3.29Å; L66-I119 HydrophobicContact CD1-CD1 3.71Å
67	L	63.3	Low	57.3	Low	74 Å²	74	77.5 Å²	77.5	39%	0.387	39%	0.39	S	S	.	.	H	α-helix	trans	-66.4	-41.2	177.8	-176.9	63.7	0	0	0	111.4	T63 S64 R70 K71	T63-L67 WeakPolarHBondContact O-CB 3.29Å; T63-L67 PolarHBondContact O-N 3.23Å; S64-L67 PolarHBondContact O-N 3.37Å; L67-R70 PolarHBondContact O-N 2.97Å; L67-K71 HydrophobicContact CG-CD 4.4Å; L67-K71 WeakPolarHBondContact O-CB 3.16Å; L67-K71 WeakPolarHBondContact O-CG 3.2Å; L67-K71 PolarHBondContact O-N 3.03Å
68	F	58.9	Low	56.1	Low	122 Å²	122	75.5 Å²	75.5	54%	0.535	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-48.1	174.1	178.9	-97.4	0	0	0	111	S64 K65 R70 K71 S72	S64-F68 WeakPolarHBondContact O-CB 3.01Å; S64-F68 PolarHBondContact O-N 3.43Å; K65-F68 PolarHBondContact O-N 3.44Å; F68-R70 PolarHBondContact O-N 2.95Å; F68-K71 PolarHBondContact O-N 3.35Å; F68-K71 VanDerWaalsContact O-N 3.16Å; F68-S72 PolarHBondContact O-N 3.3Å; F68-S72 PolarHBondContact O-OG 2.94Å
69	F	54.7	Low	55.1	Low	18 Å²	18	82.8 Å²	82.8	8%	0.079	40%	0.399	C	S	.	.	H	α-helix	trans	-57.4	-49	175.5	-176.3	-106.4	0	0	0	111.2	I27 Y30 M31 K65 L66 K71 S72 L73 F81	I27-F69 HydrophobicContact CB-CZ 4.38Å; I27-F69 HydrophobicContact CG1-CZ 4.36Å; I27-F69 HydrophobicContact CG2-CE1 4.38Å; I27-F69 HydrophobicContact CG2-CZ 3.99Å; Y30-F69 HydrophobicContact CD1-CD1 4.45Å; Y30-F69 AromaticContact CD1-CD2 3.25Å; Y30-F69 HydrophobicContact CD1-CD2 3.25Å; Y30-F69 HydrophobicContact CD1-CE1 4.34Å; Y30-F69 AromaticContact CD1-CE2 3.13Å; Y30-F69 HydrophobicContact CD1-CE2 3.13Å; Y30-F69 AromaticContact CD1-CG 3.94Å; Y30-F69 HydrophobicContact CD1-CG 3.94Å; Y30-F69 AromaticContact CD1-CZ 3.71Å; Y30-F69 HydrophobicContact CD1-CZ 3.71Å; Y30-F69 HydrophobicContact CE1-CB 4.18Å; Y30-F69 AromaticContact CE1-CD2 3.32Å; Y30-F69 HydrophobicContact CE1-CD2 3.32Å; Y30-F69 AromaticContact CE1-CE2 3.76Å; Y30-F69 HydrophobicContact CE1-CE2 3.76Å; Y30-F69 AromaticContact CE1-CG 3.77Å; Y30-F69 HydrophobicContact CE1-CG 3.77Å; Y30-F69 HydrophobicContact CG-CD2 4.21Å; Y30-F69 AromaticContact CG-CE2 3.82Å; Y30-F69 HydrophobicContact CG-CE2 3.82Å; Y30-F69 HydrophobicContact CG-CZ 4.48Å; M31-F69 HydrophobicContact CE-CD1 4.33Å; M31-F69 HydrophobicContact CE-CE1 3.32Å; M31-F69 HydrophobicContact CE-CE2 4.25Å; M31-F69 HydrophobicContact CE-CZ 3.26Å; K65-F69 WeakPolarHBondContact O-CB 3.38Å; K65-F69 PolarHBondContact O-N 2.95Å; L66-F69 PolarHBondContact O-N 3.39Å; F69-K71 VanDerWaalsContact C-N 3.3Å; F69-K71 PolarHBondContact O-N 2.88Å; F69-S72 PolarHBondContact O-N 3.32Å; F69-S72 VanDerWaalsContact O-N 3.13Å; F69-S72 PolarHBondContact O-OG 2.73Å; F69-L73 HydrophobicContact CD1-CD1 4.11Å; F69-L73 HydrophobicContact CD1-CG 4.18Å; F69-L73 HydrophobicContact CD2-CD2 4.46Å; F69-L73 HydrophobicContact CE1-CD1 3.57Å; F69-L73 HydrophobicContact CE1-CD2 3.99Å; F69-L73 HydrophobicContact CE1-CG 3.87Å; F69-L73 HydrophobicContact CE2-CD2 3.85Å; F69-L73 HydrophobicContact CE2-CG 4.45Å; F69-L73 HydrophobicContact CZ-CD1 4.03Å; F69-L73 HydrophobicContact CZ-CD2 3.6Å; F69-L73 HydrophobicContact CZ-CG 4.03Å; F69-L73 VanDerWaalsContact O-CG 3.29Å; F69-L73 WeakPolarHBondContact O-CG 3.33Å; F69-L73 PolarHBondContact O-N 2.77Å; F69-F81 HydrophobicContact CD2-CE2 4.27Å; F69-F81 HydrophobicContact CD2-CZ 4.18Å; F69-F81 HydrophobicContact CE2-CE2 4.1Å; F69-F81 HydrophobicContact CE2-CZ 4.23Å
70	R	57.4	Low	54.2	Low	141 Å²	141	89.1 Å²	89.1	53%	0.532	43%	0.428	S	S	.	.	H	α-helix	trans	-55	-46.4	175.7	-169.7	179.7	92	169.9	5.5	111.6	L66 L67 F68 L73 F74	L66-R70 WeakPolarHBondContact O-CB 3.47Å; L66-R70 PolarHBondContact O-N 3.29Å; L67-R70 PolarHBondContact O-N 2.97Å; F68-R70 PolarHBondContact O-N 2.95Å; R70-L73 PolarHBondContact O-N 3.48Å; R70-F74 HydrophobicContact CG-CD2 3.89Å; R70-F74 HydrophobicContact CG-CE2 3.52Å; R70-F74 WeakPolarHBondContact O-CD2 3.43Å; R70-F74 PolarHBondContact O-N 3.36Å
71	K	55.5	Low	53.1	Low	103 Å²	103	88.8 Å²	88.8	45%	0.448	42%	0.419	S	S	.	.	H	α-helix	trans	-65.5	-38.8	178.5	-74.2	176	178.3	179.8	0	112.3	L67 F68 F69 F74 R75	L67-K71 HydrophobicContact CG-CD 4.4Å; L67-K71 WeakPolarHBondContact O-CB 3.16Å; L67-K71 WeakPolarHBondContact O-CG 3.2Å; L67-K71 PolarHBondContact O-N 3.03Å; F68-K71 PolarHBondContact O-N 3.35Å; F68-K71 VanDerWaalsContact O-N 3.16Å; F69-K71 VanDerWaalsContact C-N 3.3Å; F69-K71 PolarHBondContact O-N 2.88Å; K71-F74 PolarHBondContact O-N 3.36Å; K71-R75 VanDerWaalsContact O-CB 3.31Å; K71-R75 WeakPolarHBondContact O-CB 3.16Å; K71-R75 WeakPolarHBondContact O-CG 3.42Å; K71-R75 PolarHBondContact O-N 2.87Å
72	S	50.3	Low	51.8	Low	18 Å²	18	89.5 Å²	89.5	13%	0.126	43%	0.429	C	S	.	.	H	α-helix	trans	-70.6	-33.5	178.9	69.4	0	0	0	0	112.2	F68 F69 K76 G77	F68-S72 PolarHBondContact O-N 3.3Å; F68-S72 PolarHBondContact O-OG 2.94Å; F69-S72 PolarHBondContact O-N 3.32Å; F69-S72 VanDerWaalsContact O-N 3.13Å; F69-S72 PolarHBondContact O-OG 2.73Å; S72-K76 PolarHBondContact O-N 3.41Å; S72-G77 PolarHBondContact O-N 2.89Å
73	L	49.8	Very low	50.6	Low	53 Å²	53	95.7 Å²	95.7	28%	0.277	46%	0.463	S	S	.	.	H	α-helix	trans	-58.6	-48.5	169.9	-65.1	-164.1	0	0	0	111.6	I27 F69 R70	I27-L73 HydrophobicContact CD1-CD1 3.96Å; I27-L73 HydrophobicContact CD1-CD2 3.53Å; I27-L73 HydrophobicContact CD1-CG 4.3Å; I27-L73 HydrophobicContact CG1-CD1 4.47Å; I27-L73 HydrophobicContact CG1-CD2 3.52Å; F69-L73 HydrophobicContact CD1-CD1 4.11Å; F69-L73 HydrophobicContact CD1-CG 4.18Å; F69-L73 HydrophobicContact CD2-CD2 4.46Å; F69-L73 HydrophobicContact CE1-CD1 3.57Å; F69-L73 HydrophobicContact CE1-CD2 3.99Å; F69-L73 HydrophobicContact CE1-CG 3.87Å; F69-L73 HydrophobicContact CE2-CD2 3.85Å; F69-L73 HydrophobicContact CE2-CG 4.45Å; F69-L73 HydrophobicContact CZ-CD1 4.03Å; F69-L73 HydrophobicContact CZ-CD2 3.6Å; F69-L73 HydrophobicContact CZ-CG 4.03Å; F69-L73 VanDerWaalsContact O-CG 3.29Å; F69-L73 WeakPolarHBondContact O-CG 3.33Å; F69-L73 PolarHBondContact O-N 2.77Å; R70-L73 PolarHBondContact O-N 3.48Å
74	F	50	Low	49.4	Very low	147 Å²	147	94.3 Å²	94.3	65%	0.645	45%	0.452	S	S	*	.	H	α-helix	trans	-76.9	-31.6	-175.7	-72.8	-61.6	0	0	0	114	R70 K71	R70-F74 HydrophobicContact CG-CD2 3.89Å; R70-F74 HydrophobicContact CG-CE2 3.52Å; R70-F74 WeakPolarHBondContact O-CD2 3.43Å; R70-F74 PolarHBondContact O-N 3.36Å; K71-F74 PolarHBondContact O-N 3.36Å
75	R	48.6	Very low	48.1	Very low	205 Å²	205	94.7 Å²	94.7	77%	0.774	45%	0.454	S	S	*	.	H	α-helix	trans	-85.5	-39.7	-170.2	-77.6	-174.7	168.5	-176.8	-5.2	114.2	K71	K71-R75 VanDerWaalsContact O-CB 3.31Å; K71-R75 WeakPolarHBondContact O-CB 3.16Å; K71-R75 WeakPolarHBondContact O-CG 3.42Å; K71-R75 PolarHBondContact O-N 2.87Å
76	K	47.4	Very low	46.8	Very low	175 Å²	175	97.3 Å²	97.3	76%	0.761	47%	0.473	S	S	*	.	H	α-helix	trans	-149.7	3.8	-171.2	-70.5	-166.4	176.3	-178.1	0	116.7	S72 Y79	S72-K76 PolarHBondContact O-N 3.41Å; K76-Y79 WeakPolarHBondContact O-CD2 3.26Å; K76-Y79 WeakPolarHBondContact O-CE2 3.35Å
77	G	45.5	Very low	45.6	Very low	34 Å²	34	99.5 Å²	99.5	35%	0.351	48%	0.483	S	S	.	.	S	Bend	trans	63.6	81.9	178.2	0	0	0	0	0	112.4	S72 Y79	S72-G77 PolarHBondContact O-N 2.89Å; G77-Y79 WeakPolarHBondContact O-CD2 3.4Å; G77-Y79 WeakPolarHBondContact O-CE2 3.29Å; G77-Y79 PolarHBondContact O-N 3.43Å
78	I	39.1	Very low	44.2	Very low	24 Å²	24	105.5 Å²	105.5	12%	0.123	51%	0.509	C	S	.	.	S	Bend	trans	60.6	-4	154.6	-10.3	-179.3	0	0	0	119.6	K23 I27 H80 F81 L84	K23-I78 WeakPolarHBondContact O-CD1 3.36Å; I27-I78 HydrophobicContact CD1-CD1 4.42Å; I27-I78 HydrophobicContact CG1-CD1 3.93Å; I78-H80 PolarHBondContact O-N 3.24Å; I78-F81 HydrophobicContact CG2-CD2 3.76Å; I78-F81 HydrophobicContact CG2-CE2 4.25Å; I78-F81 PolarHBondContact O-N 3.16Å; I78-L84 HydrophobicContact CB-CD1 3.63Å; I78-L84 HydrophobicContact CG2-CD1 3.12Å; I78-L84 WeakPolarHBondContact O-CD1 3.44Å
79	Y	36.7	Very low	43.4	Very low	171 Å²	171	105 Å²	105	67%	0.671	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.5	-179.5	-69.8	-78.6	0	0	0	116.2	K76 G77	K76-Y79 WeakPolarHBondContact O-CD2 3.26Å; K76-Y79 WeakPolarHBondContact O-CE2 3.35Å; G77-Y79 WeakPolarHBondContact O-CD2 3.4Å; G77-Y79 WeakPolarHBondContact O-CE2 3.29Å; G77-Y79 PolarHBondContact O-N 3.43Å
80	H	43	Very low	42.6	Very low	156 Å²	156	107.1 Å²	107.1	72%	0.722	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8	176.5	-81.3	-30.4	0	0	0	114.9	I78	I78-H80 PolarHBondContact O-N 3.24Å
81	F	39.9	Very low	41.7	Very low	55 Å²	55	108.5 Å²	108.5	24%	0.241	53%	0.533	C	S	.	.	S	Bend	trans	-91.5	105.2	168	-62.9	-82.7	0	0	0	107.1	Y30 F69 I78 N83 L84	Y30-F81 AromaticContact CD1-CZ 3.99Å; Y30-F81 HydrophobicContact CD1-CZ 3.99Å; Y30-F81 HydrophobicContact CD2-CD1 4.11Å; Y30-F81 AromaticContact CD2-CE1 3.14Å; Y30-F81 HydrophobicContact CD2-CE1 3.14Å; Y30-F81 HydrophobicContact CD2-CE2 4.43Å; Y30-F81 AromaticContact CD2-CZ 3.32Å; Y30-F81 HydrophobicContact CD2-CZ 3.32Å; Y30-F81 HydrophobicContact CE1-CZ 4.1Å; Y30-F81 HydrophobicContact CE2-CD1 4.49Å; Y30-F81 AromaticContact CE2-CE1 3.29Å; Y30-F81 HydrophobicContact CE2-CE1 3.29Å; Y30-F81 AromaticContact CE2-CZ 3.5Å; Y30-F81 HydrophobicContact CE2-CZ 3.5Å; Y30-F81 AromaticContact CG-CE1 3.88Å; Y30-F81 HydrophobicContact CG-CE1 3.88Å; Y30-F81 HydrophobicContact CG-CE2 4.38Å; Y30-F81 AromaticContact CG-CZ 3.58Å; Y30-F81 HydrophobicContact CG-CZ 3.58Å; Y30-F81 AromaticContact CZ-CZ 3.88Å; F69-F81 HydrophobicContact CD2-CE2 4.27Å; F69-F81 HydrophobicContact CD2-CZ 4.18Å; F69-F81 HydrophobicContact CE2-CE2 4.1Å; F69-F81 HydrophobicContact CE2-CZ 4.23Å; I78-F81 HydrophobicContact CG2-CD2 3.76Å; I78-F81 HydrophobicContact CG2-CE2 4.25Å; I78-F81 PolarHBondContact O-N 3.16Å; F81-N83 PolarHBondContact O-N 3.45Å; F81-L84 HydrophobicContact CB-CD1 3.7Å; F81-L84 HydrophobicContact CB-CG 3.93Å; F81-L84 HydrophobicContact CD2-CD1 4.29Å; F81-L84 HydrophobicContact CG-CD1 4.36Å; F81-L84 WeakPolarHBondContact O-CB 3.31Å; F81-L84 PolarHBondContact O-N 2.86Å
82	A	37	Very low	40.8	Very low	78 Å²	78	112 Å²	112	65%	0.645	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-51.4	-32	-178.5	0	0	0	0	0	112.7	L84 C85	A82-L84 PolarHBondContact O-N 3.44Å; A82-C85 PolarHBondContact O-N 2.9Å
83	N	38.6	Very low	40.1	Very low	151 Å²	151	114.9 Å²	114.9	81%	0.807	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-61.8	-1	172.1	-80.4	11.8	0	0	0	115.1	F81	F81-N83 PolarHBondContact O-N 3.45Å
84	L	35.2	Very low	39.5	Very low	43 Å²	43	115.3 Å²	115.3	23%	0.225	57%	0.573	C	S	.	*	G	3₁₀ helix	trans	-116	-7.6	179.7	-56.4	176.4	0	0	0	113.4	G26 I78 F81 A82 D86	G26-L84 VanDerWaalsContact CA-CD1 3.49Å; I78-L84 HydrophobicContact CB-CD1 3.63Å; I78-L84 HydrophobicContact CG2-CD1 3.12Å; I78-L84 WeakPolarHBondContact O-CD1 3.44Å; F81-L84 HydrophobicContact CB-CD1 3.7Å; F81-L84 HydrophobicContact CB-CG 3.93Å; F81-L84 HydrophobicContact CD2-CD1 4.29Å; F81-L84 HydrophobicContact CG-CD1 4.36Å; F81-L84 WeakPolarHBondContact O-CB 3.31Å; F81-L84 PolarHBondContact O-N 2.86Å; A82-L84 PolarHBondContact O-N 3.44Å; L84-D86 PolarHBondContact O-N 3.39Å
85	C	33	Very low	38.6	Very low	78 Å²	78	112.7 Å²	112.7	53%	0.527	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66	-20.4	176.5	-77	0	0	0	0	112.8	A82 M87	A82-C85 PolarHBondContact O-N 2.9Å; C85-M87 PolarHBondContact O-N 2.92Å; C85-M87 VanDerWaalsContact O-N 3.15Å
86	D	37.6	Very low	38	Very low	147 Å²	147	107.4 Å²	107.4	79%	0.786	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-5.7	-177.5	-67.9	-26.1	0	0	0	114.2	L84 Q88	L84-D86 PolarHBondContact O-N 3.39Å; D86-Q88 PolarHBondContact O-N 3.13Å; D86-Q88 VanDerWaalsContact O-N 3.14Å
87	M	35.8	Very low	37.5	Very low	97 Å²	97	101.4 Å²	101.4	48%	0.478	54%	0.537	S	S	.	.			trans	-90	76.2	175.5	-68.3	-154.5	-179.3	0	0	111.7	E25 C85 R89	E25-M87 WeakPolarHBondContact OE2-CE 3.4Å; C85-M87 PolarHBondContact O-N 2.92Å; C85-M87 VanDerWaalsContact O-N 3.15Å; M87-R89 PolarHBondContact O-N 3.3Å
88	Q	35.3	Very low	37	Very low	199 Å²	199	105 Å²	105	93%	0.93	55%	0.545	S	S	*	.			trans	-53.3	91	166.2	-160.9	-177.3	66.5	0	0	109.9	D86	D86-Q88 PolarHBondContact O-N 3.13Å; D86-Q88 VanDerWaalsContact O-N 3.14Å
89	R	40.9	Very low	36.8	Very low	111 Å²	111	109.5 Å²	109.5	42%	0.419	57%	0.565	S	S	.	*			trans	-103.8	138.8	172.8	-73.2	-168.6	-165.8	157.5	15.5	110.3	K22 M87	K22-R89 PolarHBondContact O-NH2 2.87Å; M87-R89 PolarHBondContact O-N 3.3Å
90	S	39.4	Very low	36.7	Very low	63 Å²	63	104.1 Å²	104.1	44%	0.441	55%	0.552	S	S	.	*			trans	-66.2	146.5	178.2	76.4	0	0	0	0	110.6	K92 D93	S90-K92 PolarHBondContact O-N 3.41Å; S90-K92 VanDerWaalsContact O-N 3.13Å; S90-D93 WeakPolarHBondContact O-CB 3.49Å; S90-D93 PolarHBondContact O-N 2.96Å; S90-D93 PolarHBondContact OG-OD2 2.91Å
91	E	36.9	Very low	36.5	Very low	170 Å²	170	102 Å²	102	79%	0.794	54%	0.538	S	S	*	.	H	α-helix	trans	-56	-30.2	179.1	-162.9	174.3	-153.5	0	0	112.6	D93 A94 V95	E91-D93 VanDerWaalsContact C-N 3.3Å; E91-D93 PolarHBondContact O-N 3.16Å; E91-A94 WeakPolarHBondContact O-CB 3.47Å; E91-A94 PolarHBondContact O-N 2.87Å; E91-V95 PolarHBondContact O-N 3.43Å
92	K	36.8	Very low	36.3	Very low	176 Å²	176	104.3 Å²	104.3	77%	0.765	55%	0.553	S	S	*	*	H	α-helix	trans	-62.4	-35.3	175.9	-67.1	-174.6	179.2	-179.6	0	112.6	S90 V96	S90-K92 PolarHBondContact O-N 3.41Å; S90-K92 VanDerWaalsContact O-N 3.13Å; K92-V96 PolarHBondContact O-N 3.38Å
93	D	37.1	Very low	36.3	Very low	80 Å²	80	106 Å²	106	43%	0.428	55%	0.547	S	S	.	.	H	α-helix	trans	-69.1	-37.9	176.8	-63.5	-49.7	0	0	0	110.7	S90 E91 V95 V97	S90-D93 WeakPolarHBondContact O-CB 3.49Å; S90-D93 PolarHBondContact O-N 2.96Å; S90-D93 PolarHBondContact OG-OD2 2.91Å; E91-D93 VanDerWaalsContact C-N 3.3Å; E91-D93 PolarHBondContact O-N 3.16Å; D93-V95 VanDerWaalsContact C-N 3.33Å; D93-V95 PolarHBondContact O-N 2.82Å; D93-V97 WeakPolarHBondContact O-CB 3.29Å; D93-V97 WeakPolarHBondContact O-CG2 3.48Å; D93-V97 PolarHBondContact O-N 3.12Å
94	A	35.6	Very low	36.3	Very low	61 Å²	61	104.6 Å²	104.6	50%	0.504	54%	0.536	S	S	.	.	H	α-helix	trans	-62.8	-38.2	-179	0	0	0	0	0	112.7	E91 V97 H98	E91-A94 WeakPolarHBondContact O-CB 3.47Å; E91-A94 PolarHBondContact O-N 2.87Å; A94-V97 WeakPolarHBondContact O-CB 3.42Å; A94-V97 PolarHBondContact O-N 3.46Å; A94-H98 PolarHBondContact O-N 3.13Å
95	V	32.5	Very low	36.1	Very low	92 Å²	92	106.7 Å²	106.7	56%	0.558	55%	0.547	S	S	*	.	H	α-helix	trans	-70.1	-48.3	-179.5	179.3	0	0	0	0	111.6	E91 D93 V97 H98 Q99	E91-V95 PolarHBondContact O-N 3.43Å; D93-V95 VanDerWaalsContact C-N 3.33Å; D93-V95 PolarHBondContact O-N 2.82Å; V95-V97 PolarHBondContact O-N 3.46Å; V95-H98 PolarHBondContact O-N 3.04Å; V95-H98 VanDerWaalsContact O-N 3.1Å; V95-Q99 PolarHBondContact O-N 3.1Å
96	V	34.4	Very low	36.2	Very low	94 Å²	94	111.4 Å²	111.4	57%	0.57	55%	0.554	S	S	*	*	H	α-helix	trans	-59.7	-38.2	176.5	176.6	0	0	0	0	110.4	K92 Q99 C100	K92-V96 PolarHBondContact O-N 3.38Å; V96-Q99 PolarHBondContact O-N 3.3Å; V96-C100 PolarHBondContact O-N 3.2Å; V96-C100 PolarHBondContact O-SG 2.96Å; V96-C100 VanDerWaalsContact O-SG 3.37Å
97	V	36.6	Very low	36.1	Very low	49 Å²	49	110.8 Å²	110.8	30%	0.297	56%	0.557	S	S	.	*	H	α-helix	trans	-63	-42.5	175.9	154.8	0	0	0	0	112.6	K23 D93 A94 V95 Y101	K23-V97 HydrophobicContact CD-CG1 3.96Å; K23-V97 HydrophobicContact CD-CG2 4.48Å; D93-V97 WeakPolarHBondContact O-CB 3.29Å; D93-V97 WeakPolarHBondContact O-CG2 3.48Å; D93-V97 PolarHBondContact O-N 3.12Å; A94-V97 WeakPolarHBondContact O-CB 3.42Å; A94-V97 PolarHBondContact O-N 3.46Å; V95-V97 PolarHBondContact O-N 3.46Å; V97-Y101 WeakPolarHBondContact O-CB 3.38Å; V97-Y101 PolarHBondContact O-N 3.4Å; V97-Y101 VanDerWaalsContact O-N 3.09Å
98	H	35.7	Very low	35.9	Very low	111 Å²	111	115.4 Å²	115.4	51%	0.514	58%	0.575	S	S	.	*	H	α-helix	trans	-70.4	-37.8	178.2	-161.1	-11.1	0	0	0	111.2	A94 V95 Y101 L102	A94-H98 PolarHBondContact O-N 3.13Å; V95-H98 PolarHBondContact O-N 3.04Å; V95-H98 VanDerWaalsContact O-N 3.1Å; H98-Y101 WeakPolarHBondContact O-CB 3.48Å; H98-Y101 PolarHBondContact O-N 3.28Å; H98-L102 WeakPolarHBondContact O-CG 3Å; H98-L102 PolarHBondContact O-N 3.44Å
99	Q	35.3	Very low	35.7	Very low	118 Å²	118	116.3 Å²	116.3	55%	0.551	57%	0.57	S	S	*	*	H	α-helix	trans	-63.8	-47.5	176	-169.8	126.8	-4.9	0	0	111.8	V95 V96 Y101 L102 E103	V95-Q99 PolarHBondContact O-N 3.1Å; V96-Q99 PolarHBondContact O-N 3.3Å; Q99-Y101 VanDerWaalsContact C-N 3.29Å; Q99-Y101 PolarHBondContact O-N 3.36Å; Q99-L102 PolarHBondContact O-N 2.93Å; Q99-E103 PolarHBondContact O-N 3.46Å
100	C	34.7	Very low	35.2	Very low	57 Å²	57	116.6 Å²	116.6	39%	0.385	58%	0.584	S	S	.	*	H	α-helix	trans	-62	-36.4	174.2	-66.4	0	0	0	0	112.4	V96 E103 E104	V96-C100 PolarHBondContact O-N 3.2Å; V96-C100 PolarHBondContact O-SG 2.96Å; V96-C100 VanDerWaalsContact O-SG 3.37Å; C100-E103 PolarHBondContact O-N 3.12Å; C100-E104 WeakPolarHBondContact O-CB 3.29Å; C100-E104 WeakPolarHBondContact O-CG 3.41Å; C100-E104 PolarHBondContact O-N 3.47Å
101	Y	38.2	Very low	34.6	Very low	112 Å²	112	117 Å²	117	44%	0.439	58%	0.58	S	S	.	*	H	α-helix	trans	-64.2	-40.4	177.3	176.5	-103.1	0	0	0	112.4	V97 H98 Q99 L105	V97-Y101 WeakPolarHBondContact O-CB 3.38Å; V97-Y101 PolarHBondContact O-N 3.4Å; V97-Y101 VanDerWaalsContact O-N 3.09Å; H98-Y101 WeakPolarHBondContact O-CB 3.48Å; H98-Y101 PolarHBondContact O-N 3.28Å; Q99-Y101 VanDerWaalsContact C-N 3.29Å; Q99-Y101 PolarHBondContact O-N 3.36Å; Y101-L105 HydrophobicContact CD1-CD1 3.93Å; Y101-L105 HydrophobicContact CE1-CD1 3.37Å; Y101-L105 HydrophobicContact CE1-CG 4.36Å; Y101-L105 HydrophobicContact CE2-CD1 4.28Å; Y101-L105 WeakPolarHBondContact O-CG 3.47Å; Y101-L105 PolarHBondContact O-N 3.03Å; Y101-L105 VanDerWaalsContact O-N 3.13Å
102	L	35.6	Very low	34.4	Very low	104 Å²	104	114.6 Å²	114.6	55%	0.545	58%	0.579	S	S	.	*	H	α-helix	trans	-70.7	-36.4	176.8	-69.8	174	0	0	0	112.1	H98 Q99 L105	H98-L102 WeakPolarHBondContact O-CG 3Å; H98-L102 PolarHBondContact O-N 3.44Å; Q99-L102 PolarHBondContact O-N 2.93Å; L102-L105 PolarHBondContact O-N 3.4Å
103	E	36.6	Very low	34.1	Very low	112 Å²	112	112 Å²	112	52%	0.523	57%	0.569	S	S	.	*	H	α-helix	trans	-68.7	-35.4	176.1	-72.7	-169	-178.3	0	0	112.8	Q99 C100 R106	Q99-E103 PolarHBondContact O-N 3.46Å; C100-E103 PolarHBondContact O-N 3.12Å; E103-R106 PolarHBondContact O-N 3.26Å
104	E	38.7	Very low	33.8	Very low	122 Å²	122	113.1 Å²	113.1	57%	0.57	57%	0.567	S	S	*	*	H	α-helix	trans	-75.5	-24.6	176	-77.2	-175.2	165.9	0	0	113.4	C100 R106	C100-E104 WeakPolarHBondContact O-CB 3.29Å; C100-E104 WeakPolarHBondContact O-CG 3.41Å; C100-E104 PolarHBondContact O-N 3.47Å; E104-R106 PolarHBondContact O-N 2.99Å; E104-R106 VanDerWaalsContact O-N 3.12Å
105	L	32.5	Very low	33.6	Very low	88 Å²	88	119 Å²	119	46%	0.461	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.4	3	173	-81.5	173.2	0	0	0	113.9	Y101 L102	Y101-L105 HydrophobicContact CD1-CD1 3.93Å; Y101-L105 HydrophobicContact CE1-CD1 3.37Å; Y101-L105 HydrophobicContact CE1-CG 4.36Å; Y101-L105 HydrophobicContact CE2-CD1 4.28Å; Y101-L105 WeakPolarHBondContact O-CG 3.47Å; Y101-L105 PolarHBondContact O-N 3.03Å; Y101-L105 VanDerWaalsContact O-N 3.13Å; L102-L105 PolarHBondContact O-N 3.4Å
106	R	34.4	Very low	33.6	Very low	177 Å²	177	119.5 Å²	119.5	67%	0.668	58%	0.58	S	S	*	*	S	Bend	trans	-54.6	130.7	172.2	-89.8	-168	175.3	108.5	-3.9	109.6	E103 E104 K108	E103-R106 PolarHBondContact O-N 3.26Å; E104-R106 PolarHBondContact O-N 2.99Å; E104-R106 VanDerWaalsContact O-N 3.12Å; R106-K108 PolarHBondContact O-N 3.01Å
107	P	35	Very low	33.6	Very low	133 Å²	133	119.3 Å²	119.3	86%	0.864	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	15.4	-146.9	-18.7	34.1	0	0	0	116.1
108	K	32.8	Very low	33.4	Very low	195 Å²	195	124 Å²	124	85%	0.848	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	-10.5	-167.6	-73.3	-168.5	175.1	-178.4	0	116.8	R106	R106-K108 PolarHBondContact O-N 3.01Å
109	R	29.9	Very low	33.4	Very low	217 Å²	217	121.4 Å²	121.4	82%	0.819	59%	0.591	S	S	*	*	S	Bend	trans	-152.7	124.9	-177.8	-62.7	-173	176.5	179	-1.8	112.2
110	V	30.2	Very low	33.3	Very low	118 Å²	118	125.3 Å²	125.3	72%	0.715	61%	0.606	S	S	*	*			trans	72.3	122.9	160.9	-148	0	0	0	0	113.3
111	L	27.1	Very low	33.4	Very low	71 Å²	71	126.1 Å²	126.1	37%	0.372	61%	0.609	S	S	.	*			cis	-124.9	149	29.4	-79	73.1	0	0	0	110.9	F113	L111-F113 WeakPolarHBondContact O-CD2 3.49Å; L111-F113 PolarHBondContact O-N 3.3Å
112	P	33.2	Very low	33.2	Very low	119 Å²	119	122.4 Å²	122.4	77%	0.773	60%	0.599	S	S	*	*			trans	-64	85.4	144.8	25.8	-17.9	0	0	0	105.6	Y114	P112-Y114 PolarHBondContact O-N 3.09Å
113	F	30.9	Very low	33.3	Very low	123 Å²	123	122.2 Å²	122.2	54%	0.539	61%	0.606	S	S	.	*			trans	-38.4	135.1	156	-77.9	-87.7	0	0	0	106.1	L111 K115	L111-F113 WeakPolarHBondContact O-CD2 3.49Å; L111-F113 PolarHBondContact O-N 3.3Å; F113-K115 PolarHBondContact O-N 3.36Å
114	Y	29.8	Very low	33.3	Very low	102 Å²	102	121 Å²	121	40%	0.4	61%	0.606	S	S	.	*			trans	-20.1	112.8	174.2	-62.8	-76.3	0	0	0	108.8	W11 I27 P112 I116	W11-Y114 AromaticContact CE3-CD1 3.47Å; W11-Y114 HydrophobicContact CE3-CD1 3.47Å; W11-Y114 VanDerWaalsContact CE3-CD1 3.47Å; W11-Y114 AromaticContact CE3-CE1 3.99Å; W11-Y114 HydrophobicContact CE3-CE1 3.99Å; W11-Y114 HydrophobicContact CE3-CG 4.16Å; W11-Y114 HydrophobicContact CH2-CD1 4.32Å; W11-Y114 HydrophobicContact CH2-CG 4.22Å; W11-Y114 VanDerWaalsContact CZ3-CB 3.49Å; W11-Y114 AromaticContact CZ3-CD1 3.12Å; W11-Y114 HydrophobicContact CZ3-CD1 3.12Å; W11-Y114 HydrophobicContact CZ3-CD2 4.26Å; W11-Y114 AromaticContact CZ3-CE1 3.73Å; W11-Y114 HydrophobicContact CZ3-CE1 3.73Å; W11-Y114 AromaticContact CZ3-CG 3.38Å; W11-Y114 HydrophobicContact CZ3-CG 3.38Å; I27-Y114 HydrophobicContact CG2-CE2 4.44Å; P112-Y114 PolarHBondContact O-N 3.09Å; Y114-I116 PolarHBondContact O-N 2.77Å
115	K	32.3	Very low	33.2	Very low	184 Å²	184	116.8 Å²	116.8	80%	0.8	59%	0.586	S	S	*	*			trans	-58.4	87.8	157.6	-98.6	-176.5	175.2	178.8	0	102.2	F113 V117	F113-K115 PolarHBondContact O-N 3.36Å; K115-V117 PolarHBondContact O-N 3.23Å
116	I	31.7	Very low	33.5	Very low	103 Å²	103	116.3 Å²	116.3	53%	0.528	59%	0.59	S	S	.	*			trans	-49.3	98.3	144.4	-61.2	174.1	0	0	0	98.5	Y114 L118	Y114-I116 PolarHBondContact O-N 2.77Å; I116-L118 PolarHBondContact O-N 3.42Å
117	V	34.6	Very low	33.5	Very low	90 Å²	90	110.8 Å²	110.8	55%	0.545	58%	0.582	S	S	.	*			trans	-56.1	96.4	166.1	172.7	0	0	0	0	100.1	K115 I119	K115-V117 PolarHBondContact O-N 3.23Å; V117-I119 VanDerWaalsContact C-N 3.3Å; V117-I119 PolarHBondContact O-N 2.9Å
118	L	32.1	Very low	33.5	Very low	149 Å²	149	105.6 Å²	105.6	78%	0.78	55%	0.551	S	S	*	*			trans	-50.4	112.4	-179.3	-96.9	155.4	0	0	0	101.9	I116 K120	I116-L118 PolarHBondContact O-N 3.42Å; L118-K120 VanDerWaalsContact C-N 3.29Å; L118-K120 PolarHBondContact O-N 3.25Å
119	I	35.1	Very low	33.6	Very low	56 Å²	56	103 Å²	103	29%	0.287	54%	0.542	S	S	.	.			trans	-44.8	109.1	172	-64.3	176.5	0	0	0	102.7	F7 F62 L66 V117 V121	F7-I119 HydrophobicContact CD1-CG2 3.45Å; F7-I119 VanDerWaalsContact CD1-CG2 3.45Å; F7-I119 HydrophobicContact CE1-CG2 3.36Å; F62-I119 HydrophobicContact CE1-CD1 4.16Å; L66-I119 HydrophobicContact CD1-CD1 3.71Å; V117-I119 VanDerWaalsContact C-N 3.3Å; V117-I119 PolarHBondContact O-N 2.9Å; I119-V121 HydrophobicContact CB-CG2 4.13Å; I119-V121 HydrophobicContact CG2-CG2 3.52Å; I119-V121 PolarHBondContact O-N 2.75Å
120	K	33.2	Very low	34	Very low	200 Å²	200	99 Å²	99	87%	0.87	54%	0.536	S	S	*	.			trans	-73.6	79	174.9	-155.2	-179.1	-173.9	-176.1	0	103.3	L118 P122	L118-K120 VanDerWaalsContact C-N 3.29Å; L118-K120 PolarHBondContact O-N 3.25Å; K120-P122 WeakPolarHBondContact O-CD 3.46Å; K120-P122 VanDerWaalsContact O-N 3.12Å
121	V	37.1	Very low	34.3	Very low	74 Å²	74	95.5 Å²	95.5	45%	0.448	52%	0.517	S	S	.	.			trans	-58.9	114.8	175.7	174.2	0	0	0	0	103.9	I119 S123 F125	I119-V121 HydrophobicContact CB-CG2 4.13Å; I119-V121 HydrophobicContact CG2-CG2 3.52Å; I119-V121 PolarHBondContact O-N 2.75Å; V121-S123 PolarHBondContact O-N 2.94Å; V121-F125 HydrophobicContact CG1-CB 3.39Å; V121-F125 HydrophobicContact CG1-CD2 4.37Å; V121-F125 HydrophobicContact CG1-CG 4.13Å
122	P	34.8	Very low	34.5	Very low	34 Å²	34	98.9 Å²	98.9	22%	0.221	53%	0.529	C	S	.	.			trans	-51.2	138.7	177.2	-21.9	29.4	0	0	0	108.8	Y5 K120 T124 F125	Y5-P122 HydrophobicContact CD1-CB 4.24Å; Y5-P122 HydrophobicContact CD1-CG 3.45Å; Y5-P122 VanDerWaalsContact CD1-CG 3.45Å; Y5-P122 HydrophobicContact CE1-CB 3.89Å; Y5-P122 HydrophobicContact CE1-CG 3.63Å; K120-P122 WeakPolarHBondContact O-CD 3.46Å; K120-P122 VanDerWaalsContact O-N 3.12Å; P122-T124 WeakPolarHBondContact CB-OG1 3.05Å; P122-T124 PolarHBondContact O-N 2.97Å; P122-F125 HydrophobicContact CB-CD2 4.16Å; P122-F125 HydrophobicContact CG-CD2 4.05Å; P122-F125 HydrophobicContact CG-CE2 4.19Å; P122-F125 WeakPolarHBondContact O-CB 3.05Å; P122-F125 PolarHBondContact O-N 2.76Å
123	S	38.3	Very low	34.8	Very low	99 Å²	99	101.2 Å²	101.2	69%	0.692	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-54.9	-22.4	-178.5	46.9	0	0	0	0	113.1	V121 F125 S126	V121-S123 PolarHBondContact O-N 2.94Å; S123-F125 PolarHBondContact O-N 3.18Å; S123-S126 WeakPolarHBondContact O-CB 3.15Å; S123-S126 PolarHBondContact O-N 3.02Å; S123-S126 PolarHBondContact O-OG 3.37Å
124	T	36.8	Very low	35.1	Very low	87 Å²	87	101 Å²	101	53%	0.534	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-59.8	-19	171	50.7	0	0	0	0	114.1	P122	P122-T124 WeakPolarHBondContact CB-OG1 3.05Å; P122-T124 PolarHBondContact O-N 2.97Å
125	F	35.8	Very low	35.1	Very low	33 Å²	33	101.6 Å²	101.6	15%	0.145	53%	0.532	C	S	.	.	G	3₁₀ helix	trans	-92.5	-14.2	172.7	-75.4	-86.3	0	0	0	114	K56 I59 V121 P122 S123 A127 A128	K56-F125 HydrophobicContact CG-CE1 4.48Å; I59-F125 HydrophobicContact CD1-CE1 3.53Å; I59-F125 HydrophobicContact CD1-CE2 4.41Å; I59-F125 HydrophobicContact CD1-CZ 3.44Å; I59-F125 VanDerWaalsContact CD1-CZ 3.44Å; V121-F125 HydrophobicContact CG1-CB 3.39Å; V121-F125 HydrophobicContact CG1-CD2 4.37Å; V121-F125 HydrophobicContact CG1-CG 4.13Å; P122-F125 HydrophobicContact CB-CD2 4.16Å; P122-F125 HydrophobicContact CG-CD2 4.05Å; P122-F125 HydrophobicContact CG-CE2 4.19Å; P122-F125 WeakPolarHBondContact O-CB 3.05Å; P122-F125 PolarHBondContact O-N 2.76Å; S123-F125 PolarHBondContact O-N 3.18Å; F125-A127 PolarHBondContact O-N 3.06Å; F125-A128 WeakPolarHBondContact O-CA 3.5Å; F125-A128 WeakPolarHBondContact O-CB 3.49Å; F125-A128 PolarHBondContact O-N 2.84Å
126	S	37.8	Very low	35.3	Very low	79 Å²	79	98.7 Å²	98.7	55%	0.552	52%	0.522	S	S	*	.	H	α-helix	trans	-62.7	-29.6	167.7	71.6	0	0	0	0	110.7	S123 A128 E129	S123-S126 WeakPolarHBondContact O-CB 3.15Å; S123-S126 PolarHBondContact O-N 3.02Å; S123-S126 PolarHBondContact O-OG 3.37Å; S126-A128 PolarHBondContact O-N 2.89Å; S126-E129 WeakPolarHBondContact O-CB 3.43Å; S126-E129 PolarHBondContact O-N 3.16Å
127	A	35.5	Very low	35.7	Very low	60 Å²	60	99.2 Å²	99.2	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-62	-21.3	168.2	0	0	0	0	0	112.9	F125 N130	F125-A127 PolarHBondContact O-N 3.06Å; A127-N130 WeakPolarHBondContact O-CB 3.49Å; A127-N130 PolarHBondContact O-N 2.95Å
128	A	34.3	Very low	35.7	Very low	25 Å²	25	100 Å²	100	21%	0.207	52%	0.522	C	S	.	.	H	α-helix	trans	-77.9	-17	172.4	0	0	0	0	0	112.9	F125 S126 N130 S131 K132	F125-A128 WeakPolarHBondContact O-CA 3.5Å; F125-A128 WeakPolarHBondContact O-CB 3.49Å; F125-A128 PolarHBondContact O-N 2.84Å; S126-A128 PolarHBondContact O-N 2.89Å; A128-N130 PolarHBondContact O-N 3.37Å; A128-S131 WeakPolarHBondContact O-CA 3Å; A128-S131 WeakPolarHBondContact O-CB 3.2Å; A128-S131 PolarHBondContact O-N 2.93Å; A128-S131 PolarHBondContact O-OG 3.38Å; A128-K132 PolarHBondContact O-N 2.93Å
129	E	35.7	Very low	36.2	Very low	141 Å²	141	99 Å²	99	66%	0.659	52%	0.517	S	S	*	.	H	α-helix	trans	-61.9	-27.3	166.9	-79.3	-150.9	134.2	0	0	111.6	S126 S131 K132	S126-E129 WeakPolarHBondContact O-CB 3.43Å; S126-E129 PolarHBondContact O-N 3.16Å; E129-S131 PolarHBondContact O-N 2.92Å; E129-K132 WeakPolarHBondContact O-CB 3.19Å; E129-K132 PolarHBondContact O-N 3.1Å
130	N	37.5	Very low	36.8	Very low	131 Å²	131	102.9 Å²	102.9	70%	0.701	53%	0.534	S	S	*	.	H	α-helix	trans	-65.1	-23.9	170.2	-65.1	-21.7	0	0	0	112.5	A127 A128 K132	A127-N130 WeakPolarHBondContact O-CB 3.49Å; A127-N130 PolarHBondContact O-N 2.95Å; A128-N130 PolarHBondContact O-N 3.37Å; N130-K132 VanDerWaalsContact C-N 3.29Å; N130-K132 PolarHBondContact O-N 3.04Å
131	S	35.7	Very low	37.3	Very low	45 Å²	45	99.7 Å²	99.7	32%	0.315	53%	0.526	S	S	.	.	H	α-helix	trans	-79	-9.7	172.5	69.4	0	0	0	0	113.7	A128 E129 K133 H134 F135	A128-S131 WeakPolarHBondContact O-CA 3Å; A128-S131 WeakPolarHBondContact O-CB 3.2Å; A128-S131 PolarHBondContact O-N 2.93Å; A128-S131 PolarHBondContact O-OG 3.38Å; E129-S131 PolarHBondContact O-N 2.92Å; S131-K133 VanDerWaalsContact C-N 3.28Å; S131-K133 PolarHBondContact O-N 2.98Å; S131-H134 WeakPolarHBondContact O-CB 3.34Å; S131-H134 PolarHBondContact O-N 3.29Å; S131-H134 VanDerWaalsContact O-N 3.09Å; S131-F135 WeakPolarHBondContact O-CD2 3.44Å; S131-F135 PolarHBondContact O-N 3.48Å
132	K	32.6	Very low	37.4	Very low	143 Å²	143	98.9 Å²	98.9	62%	0.622	53%	0.532	S	S	*	.	H	α-helix	trans	-66	-33.1	173.3	-161.9	-179.3	177	-175	0	111.6	A128 E129 N130 H134 F135 Q136	A128-K132 PolarHBondContact O-N 2.93Å; E129-K132 WeakPolarHBondContact O-CB 3.19Å; E129-K132 PolarHBondContact O-N 3.1Å; N130-K132 VanDerWaalsContact C-N 3.29Å; N130-K132 PolarHBondContact O-N 3.04Å; K132-H134 VanDerWaalsContact C-N 3.28Å; K132-H134 PolarHBondContact O-N 3.18Å; K132-F135 PolarHBondContact O-N 3.4Å; K132-Q136 PolarHBondContact O-N 3.18Å
133	K	39.9	Very low	38	Very low	168 Å²	168	103.9 Å²	103.9	73%	0.73	56%	0.557	S	S	*	*	H	α-helix	trans	-61.4	-38.9	170.1	-76.3	-168.4	174.8	-172.8	0	111.7	S131 F135 Q136 E137	S131-K133 VanDerWaalsContact C-N 3.28Å; S131-K133 PolarHBondContact O-N 2.98Å; K133-F135 PolarHBondContact O-N 3.3Å; K133-Q136 PolarHBondContact O-N 2.94Å; K133-Q136 VanDerWaalsContact O-N 3.17Å; K133-E137 PolarHBondContact O-N 2.8Å
134	H	35.6	Very low	38.2	Very low	117 Å²	117	106.2 Å²	106.2	54%	0.542	56%	0.562	S	S	.	*	H	α-helix	trans	-69.9	-31.2	-177.9	-143.6	55	0	0	0	113.3	S131 K132 Q136 E137 L138	S131-H134 WeakPolarHBondContact O-CB 3.34Å; S131-H134 PolarHBondContact O-N 3.29Å; S131-H134 VanDerWaalsContact O-N 3.09Å; K132-H134 VanDerWaalsContact C-N 3.28Å; K132-H134 PolarHBondContact O-N 3.18Å; H134-Q136 VanDerWaalsContact C-N 3.34Å; H134-E137 IonicContact ND1-OE2 3.29Å; H134-E137 PolarHBondContact ND1-OE2 3.44Å; H134-L138 WeakPolarHBondContact O-CG 3.49Å; H134-L138 PolarHBondContact O-N 3.04Å
135	F	29.9	Very low	38.4	Very low	116 Å²	116	114.2 Å²	114.2	51%	0.509	59%	0.593	S	S	.	*	H	α-helix	trans	-73.3	-26.9	173.1	-79.7	-72.2	0	0	0	113.3	S131 K132 K133 L139	S131-F135 WeakPolarHBondContact O-CD2 3.44Å; S131-F135 PolarHBondContact O-N 3.48Å; K132-F135 PolarHBondContact O-N 3.4Å; K133-F135 PolarHBondContact O-N 3.3Å; F135-L139 PolarHBondContact O-N 3.38Å
136	Q	38.1	Very low	38.5	Very low	123 Å²	123	118.3 Å²	118.3	58%	0.575	62%	0.616	S	S	*	*	H	α-helix	trans	-76	-39.7	175.6	-137.4	173.1	-12.3	0	0	111	K132 K133 H134 L138 L139 E140	K132-Q136 PolarHBondContact O-N 3.18Å; K133-Q136 PolarHBondContact O-N 2.94Å; K133-Q136 VanDerWaalsContact O-N 3.17Å; H134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-L138 VanDerWaalsContact C-N 3.32Å; Q136-L138 PolarHBondContact O-N 2.98Å; Q136-L139 PolarHBondContact O-N 3.39Å; Q136-L139 VanDerWaalsContact O-N 3.15Å; Q136-E140 PolarHBondContact O-N 3.14Å
137	E	39.7	Very low	38.6	Very low	114 Å²	114	120.4 Å²	120.4	53%	0.533	62%	0.619	S	S	.	*	H	α-helix	trans	-58.5	-39.6	171	-91.1	176.1	153.7	0	0	112.9	K133 H134 L139 E140 L141	K133-E137 PolarHBondContact O-N 2.8Å; H134-E137 IonicContact ND1-OE2 3.29Å; H134-E137 PolarHBondContact ND1-OE2 3.44Å; E137-L139 VanDerWaalsContact C-N 3.27Å; E137-L139 PolarHBondContact O-N 3.15Å; E137-E140 PolarHBondContact O-N 2.84Å; E137-L141 PolarHBondContact O-N 2.86Å; E137-L141 VanDerWaalsContact O-N 3.15Å
138	L	34.1	Very low	38.7	Very low	105 Å²	105	123.7 Å²	123.7	55%	0.55	63%	0.626	S	S	.	*	H	α-helix	trans	-70.1	-22.5	178.2	-71.6	175.5	0	0	0	113.6	H134 Q136	H134-L138 WeakPolarHBondContact O-CG 3.49Å; H134-L138 PolarHBondContact O-N 3.04Å; Q136-L138 VanDerWaalsContact C-N 3.32Å; Q136-L138 PolarHBondContact O-N 2.98Å
139	L	42.7	Very low	39	Very low	128 Å²	128	129.5 Å²	129.5	67%	0.67	65%	0.651	S	S	*	*	H	α-helix	trans	-78.7	-37.8	173.6	-92.9	151.1	0	0	0	111.4	F135 Q136 E137 G142	F135-L139 PolarHBondContact O-N 3.38Å; Q136-L139 PolarHBondContact O-N 3.39Å; Q136-L139 VanDerWaalsContact O-N 3.15Å; E137-L139 VanDerWaalsContact C-N 3.27Å; E137-L139 PolarHBondContact O-N 3.15Å; L139-G142 PolarHBondContact O-N 3.13Å
140	E	46.7	Very low	39.2	Very low	138 Å²	138	128.8 Å²	128.8	65%	0.645	65%	0.65	S	S	*	*	H	α-helix	trans	-75.3	-25	179.9	-68.9	-178.4	-172	0	0	113.4	Q136 E137 G142	Q136-E140 PolarHBondContact O-N 3.14Å; E137-E140 PolarHBondContact O-N 2.84Å; E140-G142 VanDerWaalsContact C-N 3.29Å
141	L	44.5	Very low	39.3	Very low	134 Å²	134	128.7 Å²	128.7	70%	0.702	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-76.3	-15.9	173	-74.1	170.6	0	0	0	113.5	E137	E137-L141 PolarHBondContact O-N 2.86Å; E137-L141 VanDerWaalsContact O-N 3.15Å
142	G	40.3	Very low	39.6	Very low	56 Å²	56	134.6 Å²	134.6	58%	0.577	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-81.5	-16.5	-178.1	0	0	0	0	0	115	L139 E140	L139-G142 PolarHBondContact O-N 3.13Å; E140-G142 VanDerWaalsContact C-N 3.29Å
143	D	45.7	Very low	40.1	Very low	140 Å²	140	134 Å²	134	75%	0.749	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-100.9	10.8	-172.6	-71.7	-19.4	0	0	0	113.6
144	N	42.5	Very low	40.1	Very low	147 Å²	147	131.2 Å²	131.2	79%	0.786	67%	0.669	S	S	*	*			trans	-112.2	31.4	-179.1	-73.6	-53.8	0	0	0	114.7
145	E	41.6	Very low	40.5	Very low	256 Å²	256	132.5 Å²	132.5	100%	1.196	68%	0.681	S	S	*	*			trans	-117.7	0	163.8	-167.2	176.5	-179.1	0	0	110.3

Retrieved 145 of 145 residues in 209.2 ms (Link to these results)

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