A0A077Z7S6_TRITR Loading...

NADPH--cytochrome P450 reductase

AlphaFold DB , UniProt , Accession A0A077Z7S6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 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	38.8	Very low	35.5	Very low	221 Å²	221	160.8 Å²	160.8	100%	1.089	74%	0.741	S	S	*	*				0	-42.9	0	-141.5	163.5	175.6	0	0	111.9	F3 R4	M1-F3 PolarHBondContact O-N 2.95Å; M1-R4 PolarHBondContact O-N 3.41Å
2	I	36.7	Very low	35.3	Very low	129 Å²	129	156.8 Å²	156.8	66%	0.662	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-59.1	-38.8	175.9	-64	165.5	0	0	0	113.7	R4 L5 F6	I2-R4 PolarHBondContact O-N 3.02Å; I2-R4 VanDerWaalsContact O-N 3.15Å; I2-L5 WeakPolarHBondContact O-CB 3.23Å; I2-L5 PolarHBondContact O-N 3.39Å; I2-L5 VanDerWaalsContact O-N 3.09Å; I2-F6 HydrophobicContact CG2-CD2 4.5Å; I2-F6 HydrophobicContact CG2-CE2 4.42Å
3	F	31.2	Very low	35.3	Very low	185 Å²	185	152.6 Å²	152.6	81%	0.811	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-64.1	-19.9	-179.7	-99.5	-84.9	0	0	0	115.3	M1 L5 F6 S7	M1-F3 PolarHBondContact O-N 2.95Å; F3-L5 VanDerWaalsContact C-N 3.32Å; F3-F6 PolarHBondContact O-N 3.46Å; F3-S7 PolarHBondContact O-N 2.86Å
4	R	33.7	Very low	35.8	Very low	230 Å²	230	147.9 Å²	147.9	87%	0.868	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-74.3	-22.7	175.1	-86.8	-174.4	177.5	171.2	-0.8	112.7	M1 I2 F6	M1-R4 PolarHBondContact O-N 3.41Å; I2-R4 PolarHBondContact O-N 3.02Å; I2-R4 VanDerWaalsContact O-N 3.15Å; R4-F6 VanDerWaalsContact C-N 3.31Å
5	L	40	Very low	36.1	Very low	123 Å²	123	148.3 Å²	148.3	64%	0.644	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-25.7	172.2	-78.8	153.1	0	0	0	112.2	I2 F3	I2-L5 WeakPolarHBondContact O-CB 3.23Å; I2-L5 PolarHBondContact O-N 3.39Å; I2-L5 VanDerWaalsContact O-N 3.09Å; F3-L5 VanDerWaalsContact C-N 3.32Å
6	F	31.8	Very low	36.5	Very low	162 Å²	162	150.7 Å²	150.7	71%	0.711	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	3.9	-177.9	-76.4	-80.6	0	0	0	114.6	I2 F3 R4 S8	I2-F6 HydrophobicContact CG2-CD2 4.5Å; I2-F6 HydrophobicContact CG2-CE2 4.42Å; F3-F6 PolarHBondContact O-N 3.46Å; R4-F6 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 2.89Å
7	S	34.3	Very low	36.7	Very low	74 Å²	74	152.4 Å²	152.4	52%	0.517	75%	0.75	S	S	.	*			trans	-72.2	98.2	177.6	178.4	0	0	0	0	110.2	F3 R9 W11	F3-S7 PolarHBondContact O-N 2.86Å; S7-R9 PolarHBondContact O-N 3.12Å; S7-W11 PolarHBondContact O-NE1 3.26Å; S7-W11 VanDerWaalsContact O-NE1 3.11Å
8	S	42.2	Very low	37	Very low	92 Å²	92	149.9 Å²	149.9	64%	0.643	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	11.5	-173.6	59.8	0	0	0	0	116.3	F6 W11	F6-S8 PolarHBondContact O-N 2.89Å; S8-W11 VanDerWaalsContact O-CD1 3.27Å
9	R	31.8	Very low	37.2	Very low	227 Å²	227	149.3 Å²	149.3	86%	0.857	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	1.3	-169.9	-77.1	-168.3	-178.7	-174.3	1.2	117.8	S7	S7-R9 PolarHBondContact O-N 3.12Å
10	K	33.2	Very low	37.4	Very low	204 Å²	204	150.2 Å²	150.2	89%	0.887	75%	0.748	S	S	*	*	S	Bend	trans	-102.7	21.8	167.9	-76.7	-166.5	172.9	-170	0	114.6	C12	K10-C12 PolarHBondContact O-N 2.99Å
11	W	36.4	Very low	37.9	Very low	122 Å²	122	147.1 Å²	147.1	46%	0.462	74%	0.738	S	S	.	*			trans	-100.5	62.1	-172	-54.7	62.7	0	0	0	109.5	S7 S8 M135	S7-W11 PolarHBondContact O-NE1 3.26Å; S7-W11 VanDerWaalsContact O-NE1 3.11Å; S8-W11 VanDerWaalsContact O-CD1 3.27Å; W11-M135 HydrophobicContact CE3-CG 3.94Å; W11-M135 HydrophobicContact CH2-CE 3.37Å; W11-M135 HydrophobicContact CH2-CG 3.32Å; W11-M135 HydrophobicContact CH2-SD 3.22Å; W11-M135 WeakPolarHBondContact CH2-SD 3.29Å; W11-M135 HydrophobicContact CZ2-CE 4.35Å; W11-M135 HydrophobicContact CZ2-CG 4.02Å; W11-M135 HydrophobicContact CZ2-SD 3.75Å; W11-M135 HydrophobicContact CZ3-CB 4.35Å; W11-M135 HydrophobicContact CZ3-CE 3.92Å; W11-M135 HydrophobicContact CZ3-CG 3.27Å; W11-M135 HydrophobicContact CZ3-SD 3.86Å
12	C	33.2	Very low	38.4	Very low	112 Å²	112	141.6 Å²	141.6	76%	0.757	71%	0.708	S	S	*	*			trans	-104.1	111.8	172.7	-76.8	0	0	0	0	108	K10	K10-C12 PolarHBondContact O-N 2.99Å
13	S	35.5	Very low	39.4	Very low	103 Å²	103	137.8 Å²	137.8	72%	0.72	69%	0.689	S	S	*	*				96.3	83.2	92.8	71.4	0	0	0	0	112.1
14	C	42.1	Very low	40.8	Very low	86 Å²	86	132 Å²	132	58%	0.581	67%	0.67	S	S	*	*			trans	-109	121.6	138.5	-83.3	0	0	0	0	105.4	C131	C14-C131 VanDerWaalsContact SG-SG 3.69Å
15	D	40	Very low	42.1	Very low	155 Å²	155	127 Å²	127	83%	0.829	66%	0.658	S	S	*	*	S	Bend	trans	-50.1	136.4	-171.5	-70	-47.9	0	0	0	113.2
16	E	42.7	Very low	43.1	Very low	186 Å²	186	121.7 Å²	121.7	87%	0.869	63%	0.63	S	S	*	*	S	Bend	trans	53.8	64.8	161.6	-63	-174.4	159.9	0	0	118.1
17	Q	40	Very low	44.5	Very low	179 Å²	179	116.2 Å²	116.2	84%	0.836	61%	0.611	S	S	*	*			trans	-175.3	67.6	140.3	-106.8	170.2	12.9	0	0	110.2	D19	Q17-D19 VanDerWaalsContact C-N 3.32Å; Q17-D19 PolarHBondContact O-N 3.21Å
18	S	42.7	Very low	46.2	Very low	108 Å²	108	116 Å²	116	76%	0.755	61%	0.609	S	S	*	*			trans	-94.9	41.7	173.6	63.9	0	0	0	0	112.1
19	D	40.8	Very low	47.3	Very low	138 Å²	138	111.9 Å²	111.9	74%	0.738	58%	0.581	S	S	*	*	S	Bend	trans	-113.9	109.9	176.1	-70.6	-25.6	0	0	0	109	Q17	Q17-D19 VanDerWaalsContact C-N 3.32Å; Q17-D19 PolarHBondContact O-N 3.21Å
20	F	41.2	Very low	48.8	Very low	167 Å²	167	102.4 Å²	102.4	73%	0.732	55%	0.548	S	S	*	.			trans	88.7	79.9	-179.7	-53.5	-75.3	0	0	0	116.6	F22	F20-F22 PolarHBondContact O-N 2.74Å
21	V	46.6	Very low	50.3	Low	86 Å²	86	97.9 Å²	97.9	52%	0.521	53%	0.533	S	S	.	.	S	Bend	trans	-55.7	-24.5	164.3	176.7	0	0	0	0	112.7	M135	V21-M135 HydrophobicContact CG1-CB 4.22Å; V21-M135 HydrophobicContact CG1-CE 3.61Å
22	F	49.3	Very low	51.9	Low	106 Å²	106	96.4 Å²	96.4	47%	0.465	53%	0.534	S	S	.	.	S	Bend	trans	-115.6	114.4	172.3	-112.9	-83.1	0	0	0	106.8	F20 P24 C27 L142	F20-F22 PolarHBondContact O-N 2.74Å; F22-P24 WeakPolarHBondContact O-CD 3.15Å; F22-C27 WeakPolarHBondContact CD1-SG 3.38Å; F22-C27 WeakPolarHBondContact CE1-SG 3.32Å; F22-L142 HydrophobicContact CE1-CD2 4.41Å; F22-L142 HydrophobicContact CZ-CD2 4.24Å
23	D	57.8	Low	53.6	Low	48 Å²	48	91.5 Å²	91.5	26%	0.257	50%	0.5	S	S	.	.			trans	-66.1	108.6	172	-171.9	-14.5	0	0	0	107.7	M25 L26 C27	D23-M25 PolarHBondContact O-N 2.73Å; D23-M25 VanDerWaalsContact O-N 3.16Å; D23-M25 VanDerWaalsContact OD1-CB 3.28Å; D23-M25 WeakPolarHBondContact OD1-CB 3.48Å; D23-M25 PolarHBondContact OD1-N 3.41Å; D23-L26 HydrophobicContact CB-CB 3.87Å; D23-L26 WeakPolarHBondContact O-CB 3.45Å; D23-L26 PolarHBondContact O-N 3.45Å; D23-C27 PolarHBondContact O-N 3.37Å; D23-C27 VanDerWaalsContact O-N 3.14Å
24	P	60.8	Low	55	Low	64 Å²	64	93.2 Å²	93.2	42%	0.416	50%	0.495	S	S	.	.	H	α-helix	trans	-60.3	-28.2	-178.5	26.5	-34.2	0	0	0	110.7	F22 L26 C27 C28	F22-P24 WeakPolarHBondContact O-CD 3.15Å; P24-L26 VanDerWaalsContact C-N 3.33Å; P24-L26 PolarHBondContact O-N 3.31Å; P24-C27 PolarHBondContact O-N 2.83Å; P24-C28 WeakPolarHBondContact O-CB 3.36Å; P24-C28 PolarHBondContact O-N 3.28Å; P24-C28 PolarHBondContact O-SG 3.49Å
25	M	62.4	Low	56.1	Low	126 Å²	126	92.7 Å²	92.7	62%	0.621	49%	0.491	S	S	*	.	H	α-helix	trans	-66.3	-36.4	175.5	-64.1	-67.8	175	0	0	111.7	D23 C28 A29 L120	D23-M25 PolarHBondContact O-N 2.73Å; D23-M25 VanDerWaalsContact O-N 3.16Å; D23-M25 VanDerWaalsContact OD1-CB 3.28Å; D23-M25 WeakPolarHBondContact OD1-CB 3.48Å; D23-M25 PolarHBondContact OD1-N 3.41Å; M25-C28 PolarHBondContact O-N 3.41Å; M25-A29 WeakPolarHBondContact O-CB 3.4Å; M25-A29 PolarHBondContact O-N 3.37Å; M25-L120 HydrophobicContact CB-CD1 3.89Å
26	L	60.7	Low	57.4	Low	11 Å²	11	85.5 Å²	85.5	6%	0.058	45%	0.452	C	S	.	.	H	α-helix	trans	-70	-41.6	177.5	-171.3	66.5	0	0	0	111.2	D23 P24 A29 T30 I117 L120 L121 C143	D23-L26 HydrophobicContact CB-CB 3.87Å; D23-L26 WeakPolarHBondContact O-CB 3.45Å; D23-L26 PolarHBondContact O-N 3.45Å; P24-L26 VanDerWaalsContact C-N 3.33Å; P24-L26 PolarHBondContact O-N 3.31Å; L26-A29 PolarHBondContact O-N 2.79Å; L26-T30 WeakPolarHBondContact O-CB 3.19Å; L26-T30 PolarHBondContact O-N 3.23Å; L26-T30 PolarHBondContact O-OG1 3.03Å; L26-I117 HydrophobicContact CD1-CG2 4.22Å; L26-L120 HydrophobicContact CB-CD1 4.18Å; L26-L120 HydrophobicContact CD1-CB 3.82Å; L26-L120 HydrophobicContact CD1-CD1 4.22Å; L26-L121 HydrophobicContact CD1-CG 4.36Å; L26-C143 WeakPolarHBondContact CD2-SG 3.3Å; L26-C143 VanDerWaalsContact CG-SG 3.59Å
27	C	61.4	Low	58.4	Low	47 Å²	47	77.6 Å²	77.6	32%	0.318	42%	0.415	S	S	.	.	H	α-helix	trans	-61.6	-48.1	171.3	-86.8	0	0	0	0	112.2	F22 D23 P24 A29 T30 L31	F22-C27 WeakPolarHBondContact CD1-SG 3.38Å; F22-C27 WeakPolarHBondContact CE1-SG 3.32Å; D23-C27 PolarHBondContact O-N 3.37Å; D23-C27 VanDerWaalsContact O-N 3.14Å; P24-C27 PolarHBondContact O-N 2.83Å; C27-A29 VanDerWaalsContact C-N 3.34Å; C27-A29 PolarHBondContact O-N 2.89Å; C27-T30 PolarHBondContact O-N 2.98Å; C27-L31 WeakPolarHBondContact O-CB 3.32Å; C27-L31 WeakPolarHBondContact O-CG 3.41Å; C27-L31 PolarHBondContact O-N 3.24Å
28	C	68.8	Low	59.4	Low	70 Å²	70	71.9 Å²	71.9	47%	0.473	39%	0.392	S	S	.	.	H	α-helix	trans	-61	-42.9	176.9	-75.1	0	0	0	0	111.6	P24 M25 T30 L31 L32	P24-C28 WeakPolarHBondContact O-CB 3.36Å; P24-C28 PolarHBondContact O-N 3.28Å; P24-C28 PolarHBondContact O-SG 3.49Å; M25-C28 PolarHBondContact O-N 3.41Å; C28-T30 VanDerWaalsContact C-N 3.33Å; C28-T30 PolarHBondContact O-N 3.34Å; C28-L31 PolarHBondContact O-N 3.02Å; C28-L32 WeakPolarHBondContact O-CB 3.41Å; C28-L32 VanDerWaalsContact O-CG 3.3Å; C28-L32 WeakPolarHBondContact O-CG 3.32Å; C28-L32 PolarHBondContact O-N 3.39Å
29	A	66.1	Low	60.4	Low	5 Å²	5	72.3 Å²	72.3	4%	0.041	38%	0.381	C	S	.	.	H	α-helix	trans	-65.1	-38.7	177.4	0	0	0	0	0	111.6	M25 L26 C27 L32 L33 V116 I117	M25-A29 WeakPolarHBondContact O-CB 3.4Å; M25-A29 PolarHBondContact O-N 3.37Å; L26-A29 PolarHBondContact O-N 2.79Å; C27-A29 VanDerWaalsContact C-N 3.34Å; C27-A29 PolarHBondContact O-N 2.89Å; A29-L32 PolarHBondContact O-N 2.89Å; A29-L33 WeakPolarHBondContact O-CB 3.31Å; A29-L33 PolarHBondContact O-N 3.03Å; A29-V116 HydrophobicContact CB-CB 4.37Å; A29-V116 HydrophobicContact CB-CG1 3.85Å; A29-I117 HydrophobicContact CB-CD1 4.38Å; A29-I117 HydrophobicContact CB-CG1 3.6Å
30	T	62.3	Low	61.3	Low	28 Å²	28	66 Å²	66	17%	0.172	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-43.9	173.8	-56.5	0	0	0	0	111.7	L26 C27 C28 L32 L33 F34 L146	L26-T30 WeakPolarHBondContact O-CB 3.19Å; L26-T30 PolarHBondContact O-N 3.23Å; L26-T30 PolarHBondContact O-OG1 3.03Å; C27-T30 PolarHBondContact O-N 2.98Å; C28-T30 VanDerWaalsContact C-N 3.33Å; C28-T30 PolarHBondContact O-N 3.34Å; T30-L32 VanDerWaalsContact C-N 3.35Å; T30-L33 WeakPolarHBondContact O-CB 3.41Å; T30-L33 PolarHBondContact O-N 2.81Å; T30-F34 PolarHBondContact O-N 2.89Å; T30-L146 HydrophobicContact CG2-CD1 3.94Å; T30-L146 HydrophobicContact CG2-CD2 4.42Å
31	L	66.6	Low	62.1	Low	109 Å²	109	63.8 Å²	63.8	57%	0.571	33%	0.334	S	S	*	.	H	α-helix	trans	-63.8	-41	175.4	-74.2	169.3	0	0	0	111.4	C27 C28 L33 F34 C35	C27-L31 WeakPolarHBondContact O-CB 3.32Å; C27-L31 WeakPolarHBondContact O-CG 3.41Å; C27-L31 PolarHBondContact O-N 3.24Å; C28-L31 PolarHBondContact O-N 3.02Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-F34 PolarHBondContact O-N 3Å; L31-C35 WeakPolarHBondContact O-CB 3.3Å; L31-C35 PolarHBondContact O-N 3.49Å; L31-C35 PolarHBondContact O-SG 2.8Å
32	L	69.8	Low	62.5	Low	91 Å²	91	68.5 Å²	68.5	48%	0.476	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-42.2	174.3	-78.2	168	0	0	0	111.7	C28 A29 T30 F34 C35 S36 A113	C28-L32 WeakPolarHBondContact O-CB 3.41Å; C28-L32 VanDerWaalsContact O-CG 3.3Å; C28-L32 WeakPolarHBondContact O-CG 3.32Å; C28-L32 PolarHBondContact O-N 3.39Å; A29-L32 PolarHBondContact O-N 2.89Å; T30-L32 VanDerWaalsContact C-N 3.35Å; L32-F34 VanDerWaalsContact C-N 3.33Å; L32-F34 PolarHBondContact O-N 3.45Å; L32-C35 PolarHBondContact O-N 2.85Å; L32-S36 WeakPolarHBondContact O-CB 3.34Å; L32-S36 PolarHBondContact O-N 3.2Å; L32-A113 HydrophobicContact CB-CB 4.1Å
33	L	68.1	Low	63	Low	8 Å²	8	67.9 Å²	67.9	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-59.8	-45.2	173.7	-169.6	82.9	0	0	0	110.6	A29 T30 L31 S36 R37 H110 A113 K114 I117 D150	A29-L33 WeakPolarHBondContact O-CB 3.31Å; A29-L33 PolarHBondContact O-N 3.03Å; T30-L33 WeakPolarHBondContact O-CB 3.41Å; T30-L33 PolarHBondContact O-N 2.81Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L33-S36 PolarHBondContact O-N 2.89Å; L33-S36 PolarHBondContact O-OG 3.3Å; L33-R37 VanDerWaalsContact O-CG 3.28Å; L33-R37 WeakPolarHBondContact O-CG 3.42Å; L33-R37 PolarHBondContact O-N 2.96Å; L33-H110 VanDerWaalsContact CD1-CE1 3.41Å; L33-H110 WeakPolarHBondContact CD1-CE1 2.98Å; L33-A113 HydrophobicContact CB-CB 4.2Å; L33-A113 HydrophobicContact CD1-CB 4.22Å; L33-K114 HydrophobicContact CD1-CB 3.84Å; L33-K114 HydrophobicContact CD1-CG 4.38Å; L33-I117 HydrophobicContact CB-CD1 3.92Å; L33-I117 HydrophobicContact CD1-CD1 4.39Å; L33-I117 HydrophobicContact CD2-CD1 3.82Å; L33-I117 HydrophobicContact CG-CD1 4.28Å; L33-D150 HydrophobicContact CD2-CB 4.28Å
34	F	65.2	Low	62.9	Low	140 Å²	140	72.8 Å²	72.8	61%	0.614	37%	0.37	S	S	*	.	H	α-helix	trans	-64.3	-44.9	177.2	-175.2	-96.9	0	0	0	112.2	T30 L31 L32 S36 R37 V38	T30-F34 PolarHBondContact O-N 2.89Å; L31-F34 PolarHBondContact O-N 3Å; L32-F34 VanDerWaalsContact C-N 3.33Å; L32-F34 PolarHBondContact O-N 3.45Å; F34-S36 VanDerWaalsContact C-N 3.35Å; F34-S36 PolarHBondContact O-N 3.41Å; F34-R37 WeakPolarHBondContact O-CB 3.46Å; F34-R37 PolarHBondContact O-N 3.38Å; F34-V38 HydrophobicContact CD1-CG2 4.22Å; F34-V38 HydrophobicContact CE1-CG2 3.83Å; F34-V38 HydrophobicContact CZ-CG2 4.15Å; F34-V38 WeakPolarHBondContact O-CG2 3.16Å; F34-V38 PolarHBondContact O-N 3.42Å
35	C	65.6	Low	62.7	Low	75 Å²	75	71 Å²	71	51%	0.507	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-40.3	176.2	-71.7	0	0	0	0	112.1	L31 L32 R37 V38 F39	L31-C35 WeakPolarHBondContact O-CB 3.3Å; L31-C35 PolarHBondContact O-N 3.49Å; L31-C35 PolarHBondContact O-SG 2.8Å; L32-C35 PolarHBondContact O-N 2.85Å; C35-R37 VanDerWaalsContact C-N 3.27Å; C35-R37 PolarHBondContact O-N 3.13Å; C35-V38 PolarHBondContact O-N 2.88Å; C35-F39 WeakPolarHBondContact O-CB 3.3Å; C35-F39 PolarHBondContact O-N 3.41Å
36	S	67.5	Low	62.4	Low	3 Å²	3	69.7 Å²	69.7	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-39.2	176.2	88.5	0	0	0	0	110.6	L32 L33 F34 F39 E40 H110	L32-S36 WeakPolarHBondContact O-CB 3.34Å; L32-S36 PolarHBondContact O-N 3.2Å; L33-S36 PolarHBondContact O-N 2.89Å; L33-S36 PolarHBondContact O-OG 3.3Å; F34-S36 VanDerWaalsContact C-N 3.35Å; F34-S36 PolarHBondContact O-N 3.41Å; S36-F39 PolarHBondContact O-N 3.14Å; S36-E40 WeakPolarHBondContact O-CB 3.3Å; S36-E40 VanDerWaalsContact O-CG 3.29Å; S36-E40 WeakPolarHBondContact O-CG 3.3Å; S36-E40 PolarHBondContact O-N 2.77Å; S36-H110 WeakPolarHBondContact OG-CB 3.31Å; S36-H110 PolarHBondContact OG-ND1 3.3Å
37	R	61.9	Low	62.1	Low	20 Å²	20	70.6 Å²	70.6	8%	0.075	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-44.9	175.8	-74.2	-65.1	-169.7	-150	3.4	112.9	L33 F34 C35 F39 E40 Y41 H50 D54 H110 D150 D154	L33-R37 VanDerWaalsContact O-CG 3.28Å; L33-R37 WeakPolarHBondContact O-CG 3.42Å; L33-R37 PolarHBondContact O-N 2.96Å; F34-R37 WeakPolarHBondContact O-CB 3.46Å; F34-R37 PolarHBondContact O-N 3.38Å; C35-R37 VanDerWaalsContact C-N 3.27Å; C35-R37 PolarHBondContact O-N 3.13Å; R37-F39 VanDerWaalsContact C-N 3.26Å; R37-F39 PolarHBondContact O-N 3.21Å; R37-E40 IonicContact CZ-OE2 3.52Å; R37-E40 IonicContact NH1-OE2 3.93Å; R37-E40 PolarHBondContact NH1-OE2 2.87Å; R37-E40 PolarHBondContact O-N 3.48Å; R37-Y41 WeakPolarHBondContact O-CB 3.38Å; R37-Y41 PolarHBondContact O-N 3.34Å; R37-H50 PolarHBondContact NH1-CD2 3.45Å; R37-H50 PolarHBondContact NH1-NE2 2.85Å; R37-D54 IonicContact NH2-OD2 3.86Å; R37-D54 PolarHBondContact NH2-OD2 3.49Å; R37-H110 PolarHBondContact NE-CE1 2.77Å; R37-H110 PolarHBondContact NH1-CE1 2.8Å; R37-H110 PolarHBondContact NH1-NE2 3.4Å; R37-H110 PolarHBondContact NH2-CE1 3.17Å; R37-H110 VanDerWaalsContact NH2-CE1 3.26Å; R37-H110 PolarHBondContact NH2-NE2 2.9Å; R37-D150 IonicContact CZ-OD1 2.67Å; R37-D150 IonicContact NE-OD1 2.8Å; R37-D150 PolarHBondContact NE-OD1 3.2Å; R37-D150 IonicContact NH2-OD1 2.81Å; R37-D150 IonicContact NH2-OD2 3.17Å; R37-D154 IonicContact CZ-OD1 2.87Å; R37-D154 IonicContact CZ-OD2 3.63Å; R37-D154 IonicContact NE-OD1 3Å; R37-D154 PolarHBondContact NE-OD1 2.8Å; R37-D154 IonicContact NH1-OD1 3.9Å; R37-D154 IonicContact NH2-OD1 3.49Å; R37-D154 PolarHBondContact NH2-OD1 3.24Å; R37-D154 IonicContact NH2-OD2 3.74Å; R37-D154 PolarHBondContact NH2-OD2 3.35Å
38	V	61.7	Low	61.8	Low	60 Å²	60	69.9 Å²	69.9	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-58.5	-44.7	174.5	173	0	0	0	0	109.7	F34 C35 Y41 Y42	F34-V38 HydrophobicContact CD1-CG2 4.22Å; F34-V38 HydrophobicContact CE1-CG2 3.83Å; F34-V38 HydrophobicContact CZ-CG2 4.15Å; F34-V38 WeakPolarHBondContact O-CG2 3.16Å; F34-V38 PolarHBondContact O-N 3.42Å; C35-V38 PolarHBondContact O-N 2.88Å; V38-Y41 PolarHBondContact O-N 2.95Å; V38-Y42 HydrophobicContact CG1-CD2 3.83Å; V38-Y42 HydrophobicContact CG1-CE2 3.89Å; V38-Y42 VanDerWaalsContact O-CD2 3.28Å; V38-Y42 WeakPolarHBondContact O-CD2 3.41Å; V38-Y42 PolarHBondContact O-N 3.41Å
39	F	64.5	Low	61.4	Low	117 Å²	117	68.2 Å²	68.2	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-43	179.1	-169.2	-106.5	0	0	0	113.1	C35 S36 R37 Y41 Y42 L43	C35-F39 WeakPolarHBondContact O-CB 3.3Å; C35-F39 PolarHBondContact O-N 3.41Å; S36-F39 PolarHBondContact O-N 3.14Å; R37-F39 VanDerWaalsContact C-N 3.26Å; R37-F39 PolarHBondContact O-N 3.21Å; F39-Y41 VanDerWaalsContact C-N 3.35Å; F39-Y41 PolarHBondContact O-N 3.48Å; F39-Y42 PolarHBondContact O-N 3.47Å; F39-L43 HydrophobicContact CD1-CD1 3.63Å; F39-L43 HydrophobicContact CD1-CG 4.4Å; F39-L43 HydrophobicContact CE1-CD1 3.13Å; F39-L43 HydrophobicContact CE1-CG 4.12Å; F39-L43 HydrophobicContact CE2-CD1 4.35Å; F39-L43 HydrophobicContact CG-CD1 4.43Å; F39-L43 HydrophobicContact CZ-CD1 3.55Å; F39-L43 HydrophobicContact CZ-CG 4.21Å; F39-L43 WeakPolarHBondContact O-CB 3.29Å; F39-L43 PolarHBondContact O-N 3.48Å
40	E	59.6	Low	61.2	Low	6 Å²	6	68.5 Å²	68.5	3%	0.028	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-44.6	174.4	-78.3	170.8	-174.5	0	0	112	S36 R37 Y42 L43 L44 I45 H50 H110	S36-E40 WeakPolarHBondContact O-CB 3.3Å; S36-E40 VanDerWaalsContact O-CG 3.29Å; S36-E40 WeakPolarHBondContact O-CG 3.3Å; S36-E40 PolarHBondContact O-N 2.77Å; R37-E40 IonicContact CZ-OE2 3.52Å; R37-E40 IonicContact NH1-OE2 3.93Å; R37-E40 PolarHBondContact NH1-OE2 2.87Å; R37-E40 PolarHBondContact O-N 3.48Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 3.23Å; E40-L43 PolarHBondContact O-N 3.46Å; E40-L44 PolarHBondContact O-N 2.9Å; E40-L44 VanDerWaalsContact O-N 3.17Å; E40-I45 HydrophobicContact CG-CD1 4.07Å; E40-H50 IonicContact OE1-CE1 2.8Å; E40-H50 PolarHBondContact OE1-CE1 3.36Å; E40-H50 IonicContact OE1-ND1 3.82Å; E40-H50 IonicContact OE1-NE2 3.81Å; E40-H50 PolarHBondContact OE1-NE2 2.94Å; E40-H50 IonicContact OE2-CD2 3.99Å; E40-H50 IonicContact OE2-CE1 2.65Å; E40-H50 IonicContact OE2-NE2 2.87Å; E40-H50 PolarHBondContact OE2-NE2 2.83Å; E40-H110 WeakPolarHBondContact OE1-CB 3.13Å; E40-H110 IonicContact OE1-CD2 3.89Å; E40-H110 IonicContact OE1-CG 2.67Å; E40-H110 VanDerWaalsContact OE1-CG 3.3Å; E40-H110 IonicContact OE1-ND1 3.73Å
41	Y	57.5	Low	61.1	Low	120 Å²	120	68.3 Å²	68.3	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-43	177.1	-171.5	-90	0	0	0	111.7	R37 V38 F39 L43 L44 V157 H158 I161	R37-Y41 WeakPolarHBondContact O-CB 3.38Å; R37-Y41 PolarHBondContact O-N 3.34Å; V38-Y41 PolarHBondContact O-N 2.95Å; F39-Y41 VanDerWaalsContact C-N 3.35Å; F39-Y41 PolarHBondContact O-N 3.48Å; Y41-L43 VanDerWaalsContact C-N 3.33Å; Y41-L43 PolarHBondContact O-N 2.9Å; Y41-L44 PolarHBondContact O-N 3.25Å; Y41-V157 HydrophobicContact CD2-CG1 4.27Å; Y41-V157 HydrophobicContact CE2-CG1 3.71Å; Y41-H158 AromaticContact CD2-CE1 3.86Å; Y41-I161 HydrophobicContact CE2-CD1 3.4Å; Y41-I161 VanDerWaalsContact CE2-CD1 3.4Å; Y41-I161 WeakPolarHBondContact OH-CD1 3.27Å
42	Y	55.5	Low	60.7	Low	185 Å²	185	64 Å²	64	73%	0.725	32%	0.315	S	S	*	.	H	α-helix	trans	-66	-34	176.2	-93.2	-73.5	0	0	0	113.1	V38 F39 E40	V38-Y42 HydrophobicContact CG1-CD2 3.83Å; V38-Y42 HydrophobicContact CG1-CE2 3.89Å; V38-Y42 VanDerWaalsContact O-CD2 3.28Å; V38-Y42 WeakPolarHBondContact O-CD2 3.41Å; V38-Y42 PolarHBondContact O-N 3.41Å; F39-Y42 PolarHBondContact O-N 3.47Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 3.23Å
43	L	59.7	Low	60.4	Low	92 Å²	92	59.6 Å²	59.6	48%	0.482	29%	0.292	S	S	.	.	H	α-helix	trans	-84.1	-6.2	-177.8	-78.6	-179	0	0	0	114.3	F39 E40 Y41 I45	F39-L43 HydrophobicContact CD1-CD1 3.63Å; F39-L43 HydrophobicContact CD1-CG 4.4Å; F39-L43 HydrophobicContact CE1-CD1 3.13Å; F39-L43 HydrophobicContact CE1-CG 4.12Å; F39-L43 HydrophobicContact CE2-CD1 4.35Å; F39-L43 HydrophobicContact CG-CD1 4.43Å; F39-L43 HydrophobicContact CZ-CD1 3.55Å; F39-L43 HydrophobicContact CZ-CG 4.21Å; F39-L43 WeakPolarHBondContact O-CB 3.29Å; F39-L43 PolarHBondContact O-N 3.48Å; E40-L43 PolarHBondContact O-N 3.46Å; Y41-L43 VanDerWaalsContact C-N 3.33Å; Y41-L43 PolarHBondContact O-N 2.9Å; L43-I45 HydrophobicContact CB-CD1 4.06Å; L43-I45 HydrophobicContact CB-CG1 3.51Å; L43-I45 HydrophobicContact CD1-CD1 3.92Å; L43-I45 HydrophobicContact CD1-CG1 4.26Å; L43-I45 PolarHBondContact O-N 2.83Å; L43-I45 VanDerWaalsContact O-N 3.12Å
44	L	54.8	Low	60.2	Low	151 Å²	151	59.3 Å²	59.3	79%	0.791	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	39.5	-174.2	-71.1	159.1	0	0	0	111.3	E40 Y41	E40-L44 PolarHBondContact O-N 2.9Å; E40-L44 VanDerWaalsContact O-N 3.17Å; Y41-L44 PolarHBondContact O-N 3.25Å
45	I	57.1	Low	60	Low	28 Å²	28	52.9 Å²	52.9	14%	0.144	26%	0.263	C	S	.	.			trans	-57.7	144.7	-179.2	-57.5	-167.3	0	0	0	108.5	E40 L43 C47 F101 S106	E40-I45 HydrophobicContact CG-CD1 4.07Å; L43-I45 HydrophobicContact CB-CD1 4.06Å; L43-I45 HydrophobicContact CB-CG1 3.51Å; L43-I45 HydrophobicContact CD1-CD1 3.92Å; L43-I45 HydrophobicContact CD1-CG1 4.26Å; L43-I45 PolarHBondContact O-N 2.83Å; L43-I45 VanDerWaalsContact O-N 3.12Å; I45-C47 VanDerWaalsContact C-N 3.31Å; I45-C47 PolarHBondContact O-N 3.25Å; I45-C47 PolarHBondContact O-SG 3.4Å; I45-F101 HydrophobicContact CG2-CE2 3.41Å; I45-F101 VanDerWaalsContact CG2-CE2 3.41Å; I45-F101 HydrophobicContact CG2-CZ 3.63Å; I45-S106 VanDerWaalsContact CD1-CB 3.45Å; I45-S106 VanDerWaalsContact CD1-OG 3.26Å; I45-S106 WeakPolarHBondContact CD1-OG 3.33Å
46	D	55.6	Low	59.8	Low	98 Å²	98	49.8 Å²	49.8	52%	0.524	24%	0.241	S	C	.	.			trans	-55.9	88.6	-177.9	-135.5	-19.6	0	0	0	111.3	Q48 M49 H50	D46-Q48 PolarHBondContact O-N 2.8Å; D46-M49 HydrophobicContact CB-CB 4.37Å; D46-M49 HydrophobicContact CB-CG 4.25Å; D46-M49 PolarHBondContact O-N 3.37Å; D46-H50 PolarHBondContact O-N 2.86Å; D46-H50 VanDerWaalsContact O-N 3.15Å
47	C	54.7	Low	59.7	Low	30 Å²	30	51.4 Å²	51.4	20%	0.203	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-20.6	-167.2	-50.8	0	0	0	0	112.9	I45 S51 H158	I45-C47 VanDerWaalsContact C-N 3.31Å; I45-C47 PolarHBondContact O-N 3.25Å; I45-C47 PolarHBondContact O-SG 3.4Å; C47-S51 VanDerWaalsContact O-CB 3.3Å; C47-S51 WeakPolarHBondContact O-CB 3.28Å; C47-S51 PolarHBondContact O-N 3.01Å; C47-H158 PolarHBondContact SG-CD2 3.27Å
48	Q	56.4	Low	59.7	Low	31 Å²	31	50.4 Å²	50.4	15%	0.145	25%	0.246	C	C	.	.	H	α-helix	trans	-74.4	-46.5	178	-173.2	172.9	-9.1	0	0	111.6	D46 H50 S51 I52 F225	D46-Q48 PolarHBondContact O-N 2.8Å; Q48-H50 PolarHBondContact O-N 3.42Å; Q48-S51 PolarHBondContact O-N 3.29Å; Q48-I52 HydrophobicContact CG-CD1 4.17Å; Q48-I52 WeakPolarHBondContact O-CB 3.35Å; Q48-I52 VanDerWaalsContact O-CG1 3.26Å; Q48-I52 WeakPolarHBondContact O-CG1 3.47Å; Q48-I52 PolarHBondContact O-N 2.97Å; Q48-F225 VanDerWaalsContact NE2-CD2 3.33Å
49	M	59.8	Low	59.6	Low	35 Å²	35	47.9 Å²	47.9	17%	0.172	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-37	172.7	-67.7	-73.7	178.6	0	0	110.3	D46 G53 R97 V98 F101	D46-M49 HydrophobicContact CB-CB 4.37Å; D46-M49 HydrophobicContact CB-CG 4.25Å; D46-M49 PolarHBondContact O-N 3.37Å; M49-G53 PolarHBondContact O-N 2.85Å; M49-R97 HydrophobicContact CE-CB 4.39Å; M49-V98 HydrophobicContact SD-CB 4.46Å; M49-V98 HydrophobicContact SD-CG2 3.48Å; M49-V98 WeakPolarHBondContact SD-CG2 3.36Å; M49-F101 HydrophobicContact CB-CD1 3.88Å; M49-F101 HydrophobicContact CB-CD2 4.21Å; M49-F101 HydrophobicContact CB-CE1 4.11Å; M49-F101 HydrophobicContact CB-CE2 4.42Å; M49-F101 HydrophobicContact CB-CG 3.93Å; M49-F101 HydrophobicContact CB-CZ 4.37Å
50	H	60.7	Low	59.5	Low	11 Å²	11	42.8 Å²	42.8	5%	0.051	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-48.8	174.3	-157.2	72.5	0	0	0	112.9	R37 E40 D46 Q48 I52 G53 D54 F101 Y107 H110	R37-H50 PolarHBondContact NH1-CD2 3.45Å; R37-H50 PolarHBondContact NH1-NE2 2.85Å; E40-H50 IonicContact OE1-CE1 2.8Å; E40-H50 PolarHBondContact OE1-CE1 3.36Å; E40-H50 IonicContact OE1-ND1 3.82Å; E40-H50 IonicContact OE1-NE2 3.81Å; E40-H50 PolarHBondContact OE1-NE2 2.94Å; E40-H50 IonicContact OE2-CD2 3.99Å; E40-H50 IonicContact OE2-CE1 2.65Å; E40-H50 IonicContact OE2-NE2 2.87Å; E40-H50 PolarHBondContact OE2-NE2 2.83Å; D46-H50 PolarHBondContact O-N 2.86Å; D46-H50 VanDerWaalsContact O-N 3.15Å; Q48-H50 PolarHBondContact O-N 3.42Å; H50-I52 PolarHBondContact O-N 2.86Å; H50-G53 PolarHBondContact O-N 3.48Å; H50-D54 VanDerWaalsContact O-CB 3.26Å; H50-D54 WeakPolarHBondContact O-CB 3.06Å; H50-D54 PolarHBondContact O-N 3.46Å; H50-F101 HydrophobicContact CB-CE1 4.13Å; H50-F101 HydrophobicContact CB-CZ 4.06Å; H50-F101 AromaticContact ND1-CE1 3.8Å; H50-F101 AromaticContact ND1-CZ 3.73Å; H50-Y107 AromaticContact CE1-CD2 3.74Å; H50-Y107 AromaticContact ND1-CD2 3.48Å; H50-Y107 WeakPolarHBondContact ND1-CD2 3.38Å; H50-H110 AromaticContact CE1-CD2 3.57Å; H50-H110 AromaticContact NE2-CD2 3.2Å; H50-H110 PolarHBondContact NE2-CD2 2.8Å; H50-H110 AromaticContact NE2-CG 3.85Å; H50-H110 AromaticContact NE2-NE2 3.69Å
51	S	60.1	Low	59.6	Low	24 Å²	24	44.1 Å²	44.1	17%	0.168	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-44.5	178	-178.5	0	0	0	0	112.1	C47 Q48 D54 G55	C47-S51 VanDerWaalsContact O-CB 3.3Å; C47-S51 WeakPolarHBondContact O-CB 3.28Å; C47-S51 PolarHBondContact O-N 3.01Å; Q48-S51 PolarHBondContact O-N 3.29Å; S51-D54 PolarHBondContact O-N 2.88Å; S51-G55 PolarHBondContact O-N 3.38Å
52	I	59.5	Low	59.7	Low	18 Å²	18	39 Å²	39	9%	0.092	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-51.4	175.8	-68.1	168.5	0	0	0	109.8	Q48 H50 D54 G55 F56 E228	Q48-I52 HydrophobicContact CG-CD1 4.17Å; Q48-I52 WeakPolarHBondContact O-CB 3.35Å; Q48-I52 VanDerWaalsContact O-CG1 3.26Å; Q48-I52 WeakPolarHBondContact O-CG1 3.47Å; Q48-I52 PolarHBondContact O-N 2.97Å; H50-I52 PolarHBondContact O-N 2.86Å; I52-D54 PolarHBondContact O-N 3.32Å; I52-G55 PolarHBondContact O-N 2.79Å; I52-F56 HydrophobicContact CG2-CD2 3.75Å; I52-F56 HydrophobicContact CG2-CE2 3.43Å; I52-F56 VanDerWaalsContact CG2-CE2 3.43Å; I52-F56 WeakPolarHBondContact O-CD2 3.44Å; I52-F56 PolarHBondContact O-N 2.93Å; I52-E228 HydrophobicContact CD1-CG 4.29Å
53	G	63.4	Low	59.8	Low	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-46	177.5	0	0	0	0	0	112.4	M49 H50 G55 F56 L57 Y107	M49-G53 PolarHBondContact O-N 2.85Å; H50-G53 PolarHBondContact O-N 3.48Å; G53-G55 VanDerWaalsContact C-N 3.3Å; G53-G55 PolarHBondContact O-N 3.06Å; G53-F56 PolarHBondContact O-N 3.48Å; G53-L57 PolarHBondContact O-N 3.45Å; G53-Y107 VanDerWaalsContact CA-OH 3.23Å; G53-Y107 WeakPolarHBondContact CA-OH 3.38Å; G53-Y107 PolarHBondContact O-OH 3.48Å
54	D	63.4	Low	59.9	Low	1 Å²	1	28 Å²	28	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-42.3	176.3	-101.9	4.7	0	0	0	111.7	R37 H50 S51 I52 F56 L57 D58 H110 K114 K212	R37-D54 IonicContact NH2-OD2 3.86Å; R37-D54 PolarHBondContact NH2-OD2 3.49Å; H50-D54 VanDerWaalsContact O-CB 3.26Å; H50-D54 WeakPolarHBondContact O-CB 3.06Å; H50-D54 PolarHBondContact O-N 3.46Å; S51-D54 PolarHBondContact O-N 2.88Å; I52-D54 PolarHBondContact O-N 3.32Å; D54-F56 VanDerWaalsContact C-N 3.35Å; D54-L57 PolarHBondContact O-N 3.03Å; D54-D58 WeakPolarHBondContact O-CB 3.36Å; D54-D58 VanDerWaalsContact O-CG 3.23Å; D54-D58 PolarHBondContact O-N 3.12Å; D54-H110 IonicContact OD1-CD2 3.24Å; D54-H110 IonicContact OD1-NE2 3.9Å; D54-H110 IonicContact OD2-NE2 3.3Å; D54-K114 IonicContact OD1-NZ 3.86Å; D54-K114 IonicContact OD2-NZ 3.74Å; D54-K212 IonicContact OD2-NZ 3.73Å; D54-K212 PolarHBondContact OD2-NZ 3.3Å
55	G	62	Low	60.2	Low	5 Å²	5	20.8 Å²	20.8	5%	0.052	11%	0.113	C	C	.	.	H	α-helix	trans	-58.4	-47.5	174.9	0	0	0	0	0	111.3	S51 I52 G53 L57 D58 I59 Y209	S51-G55 PolarHBondContact O-N 3.38Å; I52-G55 PolarHBondContact O-N 2.79Å; G53-G55 VanDerWaalsContact C-N 3.3Å; G53-G55 PolarHBondContact O-N 3.06Å; G55-L57 PolarHBondContact O-N 3.37Å; G55-D58 PolarHBondContact O-N 3.17Å; G55-I59 WeakPolarHBondContact O-CG1 3.28Å; G55-I59 PolarHBondContact O-N 3.23Å; G55-Y209 WeakPolarHBondContact O-CD2 3.32Å; G55-Y209 WeakPolarHBondContact O-CE2 3.47Å
56	F	60.7	Low	60.3	Low	10 Å²	10	22 Å²	22	4%	0.044	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-41.1	177.4	-77.8	-68.9	0	0	0	113.5	I52 G53 D54 D58 I59 G60 I91 I231 L235	I52-F56 HydrophobicContact CG2-CD2 3.75Å; I52-F56 HydrophobicContact CG2-CE2 3.43Å; I52-F56 VanDerWaalsContact CG2-CE2 3.43Å; I52-F56 WeakPolarHBondContact O-CD2 3.44Å; I52-F56 PolarHBondContact O-N 2.93Å; G53-F56 PolarHBondContact O-N 3.48Å; D54-F56 VanDerWaalsContact C-N 3.35Å; F56-D58 VanDerWaalsContact C-N 3.32Å; F56-I59 HydrophobicContact CD1-CD1 4.21Å; F56-I59 PolarHBondContact O-N 3.27Å; F56-G60 PolarHBondContact O-N 3.4Å; F56-I91 HydrophobicContact CB-CD1 3.63Å; F56-I91 HydrophobicContact CB-CG1 4.19Å; F56-I91 HydrophobicContact CD1-CD1 3.65Å; F56-I91 HydrophobicContact CD1-CG1 3.4Å; F56-I91 VanDerWaalsContact CD1-CG1 3.4Å; F56-I91 HydrophobicContact CD2-CD1 3.88Å; F56-I91 HydrophobicContact CD2-CG1 3.51Å; F56-I91 HydrophobicContact CE1-CD1 4.2Å; F56-I91 HydrophobicContact CE1-CG1 3.42Å; F56-I91 VanDerWaalsContact CE1-CG1 3.42Å; F56-I91 HydrophobicContact CE2-CD1 4.43Å; F56-I91 HydrophobicContact CE2-CG1 3.56Å; F56-I91 HydrophobicContact CG-CD1 3.46Å; F56-I91 VanDerWaalsContact CG-CD1 3.46Å; F56-I91 HydrophobicContact CG-CG1 3.44Å; F56-I91 VanDerWaalsContact CG-CG1 3.44Å; F56-I91 HydrophobicContact CZ-CB 4.48Å; F56-I91 HydrophobicContact CZ-CG1 3.51Å; F56-I231 HydrophobicContact CZ-CG2 4.37Å; F56-L235 HydrophobicContact CD1-CD2 4.11Å; F56-L235 HydrophobicContact CE1-CD1 3.92Å; F56-L235 HydrophobicContact CE1-CD2 3.43Å; F56-L235 VanDerWaalsContact CE1-CD2 3.43Å; F56-L235 HydrophobicContact CE1-CG 4.27Å; F56-L235 HydrophobicContact CE2-CD1 4.12Å; F56-L235 HydrophobicContact CZ-CD1 3.68Å; F56-L235 HydrophobicContact CZ-CD2 3.96Å; F56-L235 HydrophobicContact CZ-CG 4.34Å
57	L	64.6	Low	60.4	Low	37 Å²	37	18.7 Å²	18.7	19%	0.194	10%	0.098	C	C	.	.	H	α-helix	trans	-60.6	-44.4	172.9	-79.1	164.7	0	0	0	111.3	G53 D54 G55 I59 G60 F61 Y107	G53-L57 PolarHBondContact O-N 3.45Å; D54-L57 PolarHBondContact O-N 3.03Å; G55-L57 PolarHBondContact O-N 3.37Å; L57-I59 VanDerWaalsContact C-N 3.29Å; L57-I59 PolarHBondContact O-N 3.29Å; L57-G60 CarbonylContact O-C 3.58Å; L57-G60 PolarHBondContact O-N 2.89Å; L57-G60 VanDerWaalsContact O-N 3.1Å; L57-F61 HydrophobicContact CB-CD2 4.43Å; L57-F61 HydrophobicContact CD2-CE2 4.09Å; L57-F61 WeakPolarHBondContact O-CB 3.5Å; L57-F61 VanDerWaalsContact O-CD2 3.23Å; L57-F61 WeakPolarHBondContact O-CD2 3.47Å; L57-F61 PolarHBondContact O-N 3.26Å; L57-Y107 HydrophobicContact CD1-CE1 3.89Å; L57-Y107 HydrophobicContact CD1-CE2 4.1Å; L57-Y107 VanDerWaalsContact CD1-CZ 3.41Å; L57-Y107 WeakPolarHBondContact CD1-OH 3.25Å; L57-Y107 VanDerWaalsContact CG-OH 3.3Å; L57-Y107 WeakPolarHBondContact CG-OH 3.36Å
58	D	62.6	Low	60.6	Low	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.2	-40.5	177.5	-71.5	-18	0	0	0	110.4	D54 G55 F56 F61 Y62 K114 L205 Y209	D54-D58 WeakPolarHBondContact O-CB 3.36Å; D54-D58 VanDerWaalsContact O-CG 3.23Å; D54-D58 PolarHBondContact O-N 3.12Å; G55-D58 PolarHBondContact O-N 3.17Å; F56-D58 VanDerWaalsContact C-N 3.32Å; D58-F61 PolarHBondContact O-N 3.02Å; D58-Y62 WeakPolarHBondContact O-CB 3.02Å; D58-Y62 PolarHBondContact O-N 3.25Å; D58-K114 WeakPolarHBondContact OD1-CE 3.22Å; D58-K114 IonicContact OD1-NZ 3.88Å; D58-K114 PolarHBondContact OD1-NZ 2.84Å; D58-K114 IonicContact OD2-NZ 3.88Å; D58-K114 PolarHBondContact OD2-NZ 3.02Å; D58-L205 HydrophobicContact CB-CD2 4.26Å; D58-L205 VanDerWaalsContact O-CD2 3.23Å; D58-L205 WeakPolarHBondContact O-CD2 3.29Å; D58-Y209 HydrophobicContact CB-CD2 3.8Å; D58-Y209 HydrophobicContact CB-CG 4.39Å
59	I	59.8	Low	60.7	Low	7 Å²	7	21.8 Å²	21.8	4%	0.036	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-47	172.1	-58.2	163.6	0	0	0	111.5	G55 F56 L57 F61 Y62 A63 Y209 L235	G55-I59 WeakPolarHBondContact O-CG1 3.28Å; G55-I59 PolarHBondContact O-N 3.23Å; F56-I59 HydrophobicContact CD1-CD1 4.21Å; F56-I59 PolarHBondContact O-N 3.27Å; L57-I59 VanDerWaalsContact C-N 3.29Å; L57-I59 PolarHBondContact O-N 3.29Å; I59-F61 VanDerWaalsContact C-N 3.33Å; I59-F61 PolarHBondContact O-N 3.48Å; I59-Y62 WeakPolarHBondContact O-CB 3.28Å; I59-Y62 PolarHBondContact O-N 3.37Å; I59-A63 WeakPolarHBondContact O-CB 3.41Å; I59-A63 PolarHBondContact O-N 3.13Å; I59-Y209 HydrophobicContact CD1-CE2 3.82Å; I59-Y209 WeakPolarHBondContact CD1-OH 3.29Å; I59-Y209 HydrophobicContact CG1-CD2 4.18Å; I59-Y209 HydrophobicContact CG1-CE1 4.17Å; I59-Y209 HydrophobicContact CG1-CE2 3.39Å; I59-Y209 WeakPolarHBondContact CG1-OH 3.47Å; I59-L235 HydrophobicContact CD1-CD2 3.68Å
60	G	61	Low	60.4	Low	9 Å²	9	22.3 Å²	22.3	9%	0.093	11%	0.111	C	C	.	.	H	α-helix	trans	-59.5	-44.2	180	0	0	0	0	0	111.8	F56 L57 A63 L64	F56-G60 PolarHBondContact O-N 3.4Å; L57-G60 CarbonylContact O-C 3.58Å; L57-G60 PolarHBondContact O-N 2.89Å; L57-G60 VanDerWaalsContact O-N 3.1Å; G60-A63 PolarHBondContact O-N 3.42Å; G60-L64 WeakPolarHBondContact O-CB 3.28Å; G60-L64 PolarHBondContact O-N 3.22Å
61	F	63.4	Low	60.1	Low	35 Å²	35	27.9 Å²	27.9	15%	0.154	13%	0.131	C	C	.	.	H	α-helix	trans	-70.2	-40.6	175.4	-84.9	-69.9	0	0	0	112.6	L57 D58 I59 A63 L64 L65 A115 V119 L205	L57-F61 HydrophobicContact CB-CD2 4.43Å; L57-F61 HydrophobicContact CD2-CE2 4.09Å; L57-F61 WeakPolarHBondContact O-CB 3.5Å; L57-F61 VanDerWaalsContact O-CD2 3.23Å; L57-F61 WeakPolarHBondContact O-CD2 3.47Å; L57-F61 PolarHBondContact O-N 3.26Å; D58-F61 PolarHBondContact O-N 3.02Å; I59-F61 VanDerWaalsContact C-N 3.33Å; I59-F61 PolarHBondContact O-N 3.48Å; F61-A63 VanDerWaalsContact C-N 3.29Å; F61-A63 PolarHBondContact O-N 2.92Å; F61-L64 HydrophobicContact CD1-CD2 4.11Å; F61-L64 HydrophobicContact CE1-CD2 4.26Å; F61-L64 PolarHBondContact O-N 3.11Å; F61-L65 VanDerWaalsContact O-CB 3.28Å; F61-L65 WeakPolarHBondContact O-CB 3.31Å; F61-L65 VanDerWaalsContact O-CG 3.29Å; F61-L65 WeakPolarHBondContact O-CG 3.38Å; F61-L65 PolarHBondContact O-N 2.99Å; F61-A115 HydrophobicContact CE1-CB 3.66Å; F61-A115 HydrophobicContact CE2-CB 3.48Å; F61-A115 VanDerWaalsContact CE2-CB 3.48Å; F61-A115 VanDerWaalsContact CZ-CA 3.5Å; F61-A115 HydrophobicContact CZ-CB 2.99Å; F61-V119 HydrophobicContact CE1-CG2 4.36Å; F61-L205 HydrophobicContact CB-CD1 3.95Å
62	Y	59.4	Low	59.7	Low	13 Å²	13	33.6 Å²	33.6	5%	0.051	15%	0.153	C	C	.	.	H	α-helix	trans	-55	-49.6	172.2	-177.3	-107.2	0	0	0	110.1	D58 I59 R66 L202 L205 F206	D58-Y62 WeakPolarHBondContact O-CB 3.02Å; D58-Y62 PolarHBondContact O-N 3.25Å; I59-Y62 WeakPolarHBondContact O-CB 3.28Å; I59-Y62 PolarHBondContact O-N 3.37Å; Y62-R66 WeakPolarHBondContact O-CB 3.4Å; Y62-R66 PolarHBondContact O-N 3.19Å; Y62-L202 HydrophobicContact CD2-CD2 4.35Å; Y62-L205 HydrophobicContact CD2-CD2 4.12Å; Y62-L205 HydrophobicContact CG-CD2 4.31Å; Y62-F206 HydrophobicContact CD2-CB 4.33Å; Y62-F206 HydrophobicContact CE2-CB 3.94Å; Y62-F206 HydrophobicContact CE2-CD2 4.19Å; Y62-F206 HydrophobicContact CE2-CG 4.49Å
63	A	57.4	Low	59.2	Low	7 Å²	7	43.6 Å²	43.6	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-41.7	178.8	0	0	0	0	0	112.3	I59 G60 F61 N67 S83	I59-A63 WeakPolarHBondContact O-CB 3.41Å; I59-A63 PolarHBondContact O-N 3.13Å; G60-A63 PolarHBondContact O-N 3.42Å; F61-A63 VanDerWaalsContact C-N 3.29Å; F61-A63 PolarHBondContact O-N 2.92Å; A63-N67 VanDerWaalsContact O-CB 3.31Å; A63-N67 WeakPolarHBondContact O-CB 3.29Å; A63-N67 VanDerWaalsContact O-CG 3.22Å; A63-N67 PolarHBondContact O-N 3.48Å; A63-N67 PolarHBondContact O-ND2 2.98Å; A63-S83 WeakPolarHBondContact CB-OG 3.45Å
64	L	61.1	Low	58.4	Low	38 Å²	38	50.9 Å²	50.9	20%	0.199	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-57.5	174.5	-178.6	112.5	0	0	0	111.1	G60 F61 R66 N67 L68 F80 V119	G60-L64 WeakPolarHBondContact O-CB 3.28Å; G60-L64 PolarHBondContact O-N 3.22Å; F61-L64 HydrophobicContact CD1-CD2 4.11Å; F61-L64 HydrophobicContact CE1-CD2 4.26Å; F61-L64 PolarHBondContact O-N 3.11Å; L64-R66 VanDerWaalsContact C-N 3.3Å; L64-R66 PolarHBondContact O-N 2.96Å; L64-N67 CarbonylContact O-C 3.43Å; L64-N67 PolarHBondContact O-N 3.01Å; L64-N67 VanDerWaalsContact O-N 3.13Å; L64-L68 HydrophobicContact CD2-CD1 3.81Å; L64-L68 HydrophobicContact CG-CD1 4.06Å; L64-L68 WeakPolarHBondContact O-CG 3.34Å; L64-L68 PolarHBondContact O-N 2.84Å; L64-F80 HydrophobicContact CB-CD2 4.02Å; L64-F80 HydrophobicContact CB-CE2 3.58Å; L64-F80 HydrophobicContact CB-CZ 4.5Å; L64-F80 HydrophobicContact CD1-CD2 3.95Å; L64-F80 HydrophobicContact CD1-CE1 4.12Å; L64-F80 HydrophobicContact CD1-CE2 3.23Å; L64-F80 HydrophobicContact CD1-CZ 3.31Å; L64-F80 HydrophobicContact CG-CD2 4.38Å; L64-F80 HydrophobicContact CG-CE2 3.91Å; L64-F80 HydrophobicContact CG-CZ 4.45Å; L64-V119 HydrophobicContact CD2-CG2 4.44Å
65	L	61.7	Low	57.8	Low	0 Å²	0	53 Å²	53	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-36.4	-177.4	-68.4	179.7	0	0	0	111.2	F61 L68 Y69 Y122 L202 L205	F61-L65 VanDerWaalsContact O-CB 3.28Å; F61-L65 WeakPolarHBondContact O-CB 3.31Å; F61-L65 VanDerWaalsContact O-CG 3.29Å; F61-L65 WeakPolarHBondContact O-CG 3.38Å; F61-L65 PolarHBondContact O-N 2.99Å; L65-L68 HydrophobicContact CD2-CD1 4.35Å; L65-L68 PolarHBondContact O-N 2.85Å; L65-Y69 VanDerWaalsContact O-CB 3.3Å; L65-Y69 WeakPolarHBondContact O-CB 3.35Å; L65-Y69 PolarHBondContact O-N 3.43Å; L65-Y122 HydrophobicContact CD2-CD1 3.86Å; L65-Y122 HydrophobicContact CD2-CD2 4.08Å; L65-Y122 HydrophobicContact CD2-CG 3.57Å; L65-L202 HydrophobicContact CB-CD2 3.31Å; L65-L202 HydrophobicContact CB-CG 4.43Å; L65-L202 HydrophobicContact CD1-CD2 4.23Å; L65-L202 HydrophobicContact CG-CD2 4.44Å; L65-L205 HydrophobicContact CD1-CD1 3.93Å
66	R	58.5	Low	57	Low	53 Å²	53	56.8 Å²	56.8	20%	0.2	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-50.3	171.1	175.1	-174	172	-178.4	6.8	110.3	Y62 L64 L68 Y69 F70 L246	Y62-R66 WeakPolarHBondContact O-CB 3.4Å; Y62-R66 PolarHBondContact O-N 3.19Å; L64-R66 VanDerWaalsContact C-N 3.3Å; L64-R66 PolarHBondContact O-N 2.96Å; R66-L68 VanDerWaalsContact C-N 3.35Å; R66-L68 PolarHBondContact O-N 3.27Å; R66-Y69 WeakPolarHBondContact O-CB 3.06Å; R66-Y69 PolarHBondContact O-N 3Å; R66-F70 HydrophobicContact CG-CD2 3.77Å; R66-F70 HydrophobicContact CG-CE2 3.83Å; R66-F70 VanDerWaalsContact O-CD2 3.3Å; R66-F70 WeakPolarHBondContact O-CD2 3.26Å; R66-F70 PolarHBondContact O-N 3.38Å; R66-L246 HydrophobicContact CG-CD1 3.99Å; R66-L246 VanDerWaalsContact NE-CD1 3.29Å
67	N	57.5	Low	56.6	Low	28 Å²	28	60.7 Å²	60.7	15%	0.15	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-41.6	178.9	-76.2	-37.8	0	0	0	111.3	A63 L64 Y69 F70 R71 F80	A63-N67 VanDerWaalsContact O-CB 3.31Å; A63-N67 WeakPolarHBondContact O-CB 3.29Å; A63-N67 VanDerWaalsContact O-CG 3.22Å; A63-N67 PolarHBondContact O-N 3.48Å; A63-N67 PolarHBondContact O-ND2 2.98Å; L64-N67 CarbonylContact O-C 3.43Å; L64-N67 PolarHBondContact O-N 3.01Å; L64-N67 VanDerWaalsContact O-N 3.13Å; N67-Y69 VanDerWaalsContact C-N 3.31Å; N67-Y69 PolarHBondContact O-N 2.94Å; N67-F70 CarbonylContact O-C 3.57Å; N67-F70 PolarHBondContact O-N 2.79Å; N67-R71 WeakPolarHBondContact O-CA 3.28Å; N67-R71 WeakPolarHBondContact O-CB 3.38Å; N67-R71 PolarHBondContact O-N 2.9Å; N67-F80 VanDerWaalsContact ND2-CA 3.32Å; N67-F80 WeakPolarHBondContact ND2-CA 3.23Å
68	L	59.7	Low	56.1	Low	63 Å²	63	68.7 Å²	68.7	33%	0.33	31%	0.314	S	S	.	.	H	α-helix	trans	-60.8	-40.4	173.7	-70.2	172.7	0	0	0	111.8	L64 L65 R66 R71 Y122	L64-L68 HydrophobicContact CD2-CD1 3.81Å; L64-L68 HydrophobicContact CG-CD1 4.06Å; L64-L68 WeakPolarHBondContact O-CG 3.34Å; L64-L68 PolarHBondContact O-N 2.84Å; L65-L68 HydrophobicContact CD2-CD1 4.35Å; L65-L68 PolarHBondContact O-N 2.85Å; R66-L68 VanDerWaalsContact C-N 3.35Å; R66-L68 PolarHBondContact O-N 3.27Å; L68-R71 WeakPolarHBondContact O-CB 3.19Å; L68-R71 PolarHBondContact O-N 3.49Å; L68-Y122 HydrophobicContact CB-CE1 3.82Å; L68-Y122 HydrophobicContact CD1-CE1 4.42Å
69	Y	58	Low	55.6	Low	63 Å²	63	70.5 Å²	70.5	25%	0.247	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-48.5	175.7	-177.6	-96.6	0	0	0	112.4	L65 R66 N67 R71 K72 Y122 W125 R129 H200 L202	L65-Y69 VanDerWaalsContact O-CB 3.3Å; L65-Y69 WeakPolarHBondContact O-CB 3.35Å; L65-Y69 PolarHBondContact O-N 3.43Å; R66-Y69 WeakPolarHBondContact O-CB 3.06Å; R66-Y69 PolarHBondContact O-N 3Å; N67-Y69 VanDerWaalsContact C-N 3.31Å; N67-Y69 PolarHBondContact O-N 2.94Å; Y69-R71 VanDerWaalsContact C-N 3.27Å; Y69-R71 PolarHBondContact O-N 3.18Å; Y69-K72 PolarHBondContact O-N 3.26Å; Y69-Y122 WeakPolarHBondContact CA-OH 3.17Å; Y69-Y122 WeakPolarHBondContact CB-OH 3.38Å; Y69-Y122 HydrophobicContact CD2-CE2 4.42Å; Y69-Y122 PolarHBondContact N-OH 3.21Å; Y69-W125 HydrophobicContact CD2-CZ3 4.24Å; Y69-W125 AromaticContact CE2-CH2 3.97Å; Y69-W125 HydrophobicContact CE2-CH2 3.97Å; Y69-W125 AromaticContact CE2-CZ3 3.95Å; Y69-W125 HydrophobicContact CE2-CZ3 3.95Å; Y69-R129 PolarHBondContact OH-NH2 2.94Å; Y69-H200 AromaticContact CD2-NE2 3.85Å; Y69-H200 AromaticContact CE2-NE2 3.55Å; Y69-L202 HydrophobicContact CG-CD1 4.24Å
70	F	54.7	Low	55.4	Low	47 Å²	47	71.7 Å²	71.7	21%	0.206	33%	0.334	C	S	.	.	H	α-helix	trans	-71.5	-19.7	174	-76.9	-77.5	0	0	0	113	R66 N67 K72 R73 V75 L246	R66-F70 HydrophobicContact CG-CD2 3.77Å; R66-F70 HydrophobicContact CG-CE2 3.83Å; R66-F70 VanDerWaalsContact O-CD2 3.3Å; R66-F70 WeakPolarHBondContact O-CD2 3.26Å; R66-F70 PolarHBondContact O-N 3.38Å; N67-F70 CarbonylContact O-C 3.57Å; N67-F70 PolarHBondContact O-N 2.79Å; F70-K72 PolarHBondContact O-N 2.98Å; F70-R73 CarbonylContact O-C 3.59Å; F70-R73 VanDerWaalsContact O-CA 3.23Å; F70-R73 WeakPolarHBondContact O-CA 3.26Å; F70-R73 WeakPolarHBondContact O-CB 3.38Å; F70-R73 PolarHBondContact O-N 3.38Å; F70-V75 HydrophobicContact CB-CG2 3.49Å; F70-V75 VanDerWaalsContact CB-CG2 3.49Å; F70-L246 HydrophobicContact CE2-CD1 3.71Å; F70-L246 HydrophobicContact CZ-CD1 4.17Å
71	R	52.9	Low	55.1	Low	127 Å²	127	78.9 Å²	78.9	48%	0.479	36%	0.358	S	S	.	.	H	α-helix	trans	-69.5	-16	177.3	-163	178.1	-175.3	-171.9	0.4	113	N67 L68 Y69 R73 N74	N67-R71 WeakPolarHBondContact O-CA 3.28Å; N67-R71 WeakPolarHBondContact O-CB 3.38Å; N67-R71 PolarHBondContact O-N 2.9Å; L68-R71 WeakPolarHBondContact O-CB 3.19Å; L68-R71 PolarHBondContact O-N 3.49Å; Y69-R71 VanDerWaalsContact C-N 3.27Å; Y69-R71 PolarHBondContact O-N 3.18Å; R71-R73 PolarHBondContact O-N 3.42Å; R71-N74 PolarHBondContact O-N 2.92Å
72	K	52.5	Low	55	Low	145 Å²	145	82.3 Å²	82.3	63%	0.63	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-16.2	157.9	-107.1	-173.7	179	-179.6	0	112.5	Y69 F70	Y69-K72 PolarHBondContact O-N 3.26Å; F70-K72 PolarHBondContact O-N 2.98Å
73	R	49.2	Very low	54.8	Low	228 Å²	228	83 Å²	83	86%	0.86	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	30.3	172.4	-80.1	-173.4	168.6	179.7	-2.8	114.6	F70 R71	F70-R73 CarbonylContact O-C 3.59Å; F70-R73 VanDerWaalsContact O-CA 3.23Å; F70-R73 WeakPolarHBondContact O-CA 3.26Å; F70-R73 WeakPolarHBondContact O-CB 3.38Å; F70-R73 PolarHBondContact O-N 3.38Å; R71-R73 PolarHBondContact O-N 3.42Å
74	N	47.3	Very low	54.9	Low	152 Å²	152	85.4 Å²	85.4	81%	0.813	40%	0.396	S	S	*	.			trans	60	69.8	174.6	-77.1	-19.5	0	0	0	115.7	R71	R71-N74 PolarHBondContact O-N 2.92Å
75	V	49.2	Very low	55	Low	45 Å²	45	85 Å²	85	27%	0.273	40%	0.4	S	S	.	.			trans	-94	134.9	164.2	-179.6	0	0	0	0	110.1	F70 A79	F70-V75 HydrophobicContact CB-CG2 3.49Å; F70-V75 VanDerWaalsContact CB-CG2 3.49Å; V75-A79 HydrophobicContact CG1-CB 4.23Å
76	P	45.9	Very low	55.1	Low	85 Å²	85	89.1 Å²	89.1	55%	0.552	42%	0.422	S	S	*	.			trans	-70.3	136	-177.5	26.6	-34.3	0	0	0	112.3	R78 A79	P76-R78 PolarHBondContact O-N 3.3Å; P76-A79 PolarHBondContact O-N 2.76Å
77	L	51.8	Low	55	Low	93 Å²	93	87.3 Å²	87.3	49%	0.487	42%	0.417	S	S	.	.	H	α-helix	trans	-44	-28	171.2	-83.8	148.8	0	0	0	113.7	A79 F80 W81	L77-A79 VanDerWaalsContact C-N 3.32Å; L77-A79 PolarHBondContact O-N 3.38Å; L77-F80 PolarHBondContact O-N 3.1Å; L77-W81 PolarHBondContact O-N 3.27Å; L77-W81 VanDerWaalsContact O-N 3.12Å
78	R	55	Low	55.1	Low	205 Å²	205	89 Å²	89	77%	0.774	43%	0.428	S	S	*	.	H	α-helix	trans	-55.8	-42.3	175.8	-65.6	-176.4	-176.2	175.9	0.9	112.9	P76 F80 W81 L82	P76-R78 PolarHBondContact O-N 3.3Å; R78-F80 VanDerWaalsContact C-N 3.33Å; R78-F80 PolarHBondContact O-N 2.75Å; R78-W81 PolarHBondContact O-N 3.45Å; R78-L82 WeakPolarHBondContact O-CB 3.5Å; R78-L82 PolarHBondContact O-N 3.46Å
79	A	52.6	Low	55.3	Low	38 Å²	38	91.6 Å²	91.6	31%	0.314	44%	0.442	S	S	.	.	H	α-helix	trans	-66.8	-35.4	-178.5	0	0	0	0	0	112.1	V75 P76 L77 L82 S83	V75-A79 HydrophobicContact CG1-CB 4.23Å; P76-A79 PolarHBondContact O-N 2.76Å; L77-A79 VanDerWaalsContact C-N 3.32Å; L77-A79 PolarHBondContact O-N 3.38Å; A79-L82 PolarHBondContact O-N 3.3Å; A79-S83 PolarHBondContact O-N 3.01Å; A79-S83 PolarHBondContact O-OG 3.41Å
80	F	53.9	Low	55.4	Low	31 Å²	31	91.6 Å²	91.6	14%	0.136	45%	0.446	C	S	.	.	H	α-helix	trans	-65.5	-50.5	174.2	168.3	-106.6	0	0	0	111.8	L64 N67 L77 R78 L82 S83 L84	L64-F80 HydrophobicContact CB-CD2 4.02Å; L64-F80 HydrophobicContact CB-CE2 3.58Å; L64-F80 HydrophobicContact CB-CZ 4.5Å; L64-F80 HydrophobicContact CD1-CD2 3.95Å; L64-F80 HydrophobicContact CD1-CE1 4.12Å; L64-F80 HydrophobicContact CD1-CE2 3.23Å; L64-F80 HydrophobicContact CD1-CZ 3.31Å; L64-F80 HydrophobicContact CG-CD2 4.38Å; L64-F80 HydrophobicContact CG-CE2 3.91Å; L64-F80 HydrophobicContact CG-CZ 4.45Å; N67-F80 VanDerWaalsContact ND2-CA 3.32Å; N67-F80 WeakPolarHBondContact ND2-CA 3.23Å; L77-F80 PolarHBondContact O-N 3.1Å; R78-F80 VanDerWaalsContact C-N 3.33Å; R78-F80 PolarHBondContact O-N 2.75Å; F80-L82 VanDerWaalsContact C-N 3.25Å; F80-L82 PolarHBondContact O-N 3.41Å; F80-S83 PolarHBondContact O-N 2.99Å; F80-S83 PolarHBondContact O-OG 3.15Å; F80-L84 HydrophobicContact CE2-CD1 4.33Å; F80-L84 HydrophobicContact CZ-CD1 4.15Å; F80-L84 WeakPolarHBondContact O-CB 3.3Å; F80-L84 PolarHBondContact O-N 3.21Å
81	W	56	Low	55.6	Low	160 Å²	160	89.6 Å²	89.6	61%	0.606	44%	0.437	S	S	*	.	H	α-helix	trans	-63.6	-33.2	177.1	-69.7	115.8	0	0	0	112.1	L77 R78 L84 G85	L77-W81 PolarHBondContact O-N 3.27Å; L77-W81 VanDerWaalsContact O-N 3.12Å; R78-W81 PolarHBondContact O-N 3.45Å; W81-L84 HydrophobicContact CE3-CD2 3.97Å; W81-L84 HydrophobicContact CZ3-CD2 3.9Å; W81-G85 WeakPolarHBondContact O-CA 3.27Å; W81-G85 PolarHBondContact O-N 2.95Å
82	L	60.3	Low	55.9	Low	108 Å²	108	85.7 Å²	85.7	57%	0.565	43%	0.429	S	S	*	.	H	α-helix	trans	-66.2	-48	172.5	-112.1	156.1	0	0	0	111.8	R78 A79 F80 G85 I86	R78-L82 WeakPolarHBondContact O-CB 3.5Å; R78-L82 PolarHBondContact O-N 3.46Å; A79-L82 PolarHBondContact O-N 3.3Å; F80-L82 VanDerWaalsContact C-N 3.25Å; F80-L82 PolarHBondContact O-N 3.41Å; L82-G85 PolarHBondContact O-N 3.27Å; L82-I86 HydrophobicContact CD2-CD1 3.68Å; L82-I86 HydrophobicContact CD2-CG1 4.16Å; L82-I86 VanDerWaalsContact O-CB 3.3Å; L82-I86 WeakPolarHBondContact O-CB 3.18Å; L82-I86 WeakPolarHBondContact O-CD1 3.44Å; L82-I86 WeakPolarHBondContact O-CG1 3.34Å; L82-I86 PolarHBondContact O-N 3.14Å
83	S	55.8	Low	56.3	Low	28 Å²	28	82.9 Å²	82.9	20%	0.196	43%	0.433	C	S	.	.	H	α-helix	trans	-63.4	-44.5	178.8	59.5	0	0	0	0	111.4	A63 A79 F80 I86 S87	A63-S83 WeakPolarHBondContact CB-OG 3.45Å; A79-S83 PolarHBondContact O-N 3.01Å; A79-S83 PolarHBondContact O-OG 3.41Å; F80-S83 PolarHBondContact O-N 2.99Å; F80-S83 PolarHBondContact O-OG 3.15Å; S83-I86 PolarHBondContact O-N 3.4Å; S83-S87 WeakPolarHBondContact O-CB 3.18Å; S83-S87 PolarHBondContact O-N 3.2Å; S83-S87 PolarHBondContact O-OG 2.89Å; S83-S87 VanDerWaalsContact O-OG 3.06Å
84	L	58.7	Low	56.6	Low	57 Å²	57	74.7 Å²	74.7	30%	0.298	41%	0.408	S	S	.	.	H	α-helix	trans	-62.9	-46.7	176.4	-168.8	93.3	0	0	0	110.7	F80 W81 S87 V88	F80-L84 HydrophobicContact CE2-CD1 4.33Å; F80-L84 HydrophobicContact CZ-CD1 4.15Å; F80-L84 WeakPolarHBondContact O-CB 3.3Å; F80-L84 PolarHBondContact O-N 3.21Å; W81-L84 HydrophobicContact CE3-CD2 3.97Å; W81-L84 HydrophobicContact CZ3-CD2 3.9Å; L84-S87 WeakPolarHBondContact O-CB 3.49Å; L84-S87 PolarHBondContact O-N 2.97Å; L84-V88 VanDerWaalsContact O-CG2 3.32Å; L84-V88 WeakPolarHBondContact O-CG2 3.4Å; L84-V88 PolarHBondContact O-N 2.86Å
85	G	63.5	Low	57.1	Low	28 Å²	28	69.7 Å²	69.7	29%	0.289	38%	0.382	S	S	.	.	H	α-helix	trans	-63.4	-40.5	179.2	0	0	0	0	0	112.7	W81 L82 V88 L89	W81-G85 WeakPolarHBondContact O-CA 3.27Å; W81-G85 PolarHBondContact O-N 2.95Å; L82-G85 PolarHBondContact O-N 3.27Å; G85-V88 PolarHBondContact O-N 3.21Å; G85-L89 VanDerWaalsContact O-CB 3.28Å; G85-L89 WeakPolarHBondContact O-CB 3.48Å; G85-L89 PolarHBondContact O-N 3.31Å
86	I	63.4	Low	58	Low	88 Å²	88	73.6 Å²	73.6	45%	0.451	40%	0.395	S	S	.	.	H	α-helix	trans	-64.1	-44.2	173.8	-71.5	163.9	0	0	0	110.2	L82 S83 L89 L90	L82-I86 HydrophobicContact CD2-CD1 3.68Å; L82-I86 HydrophobicContact CD2-CG1 4.16Å; L82-I86 VanDerWaalsContact O-CB 3.3Å; L82-I86 WeakPolarHBondContact O-CB 3.18Å; L82-I86 WeakPolarHBondContact O-CD1 3.44Å; L82-I86 WeakPolarHBondContact O-CG1 3.34Å; L82-I86 PolarHBondContact O-N 3.14Å; S83-I86 PolarHBondContact O-N 3.4Å; I86-L89 PolarHBondContact O-N 2.7Å; I86-L90 HydrophobicContact CG2-CD1 3.81Å; I86-L90 VanDerWaalsContact O-CB 3.31Å; I86-L90 WeakPolarHBondContact O-CB 3.46Å; I86-L90 PolarHBondContact O-N 3.03Å
87	S	57.9	Low	59	Low	14 Å²	14	78.7 Å²	78.7	10%	0.098	40%	0.404	C	S	.	.	H	α-helix	trans	-60	-47.2	174.8	-64.6	0	0	0	0	111.5	S83 L84 L90 I91	S83-S87 WeakPolarHBondContact O-CB 3.18Å; S83-S87 PolarHBondContact O-N 3.2Å; S83-S87 PolarHBondContact O-OG 2.89Å; S83-S87 VanDerWaalsContact O-OG 3.06Å; L84-S87 WeakPolarHBondContact O-CB 3.49Å; L84-S87 PolarHBondContact O-N 2.97Å; S87-L90 PolarHBondContact O-N 3.28Å; S87-I91 WeakPolarHBondContact O-CD1 3.44Å; S87-I91 WeakPolarHBondContact O-CG1 3.49Å; S87-I91 PolarHBondContact O-N 3.34Å
88	V	58.9	Low	59.5	Low	63 Å²	63	74.5 Å²	74.5	38%	0.382	38%	0.382	S	S	.	.	H	α-helix	trans	-65	-41.5	178	173.4	0	0	0	0	112	L84 G85 I91 S92	L84-V88 VanDerWaalsContact O-CG2 3.32Å; L84-V88 WeakPolarHBondContact O-CG2 3.4Å; L84-V88 PolarHBondContact O-N 2.86Å; G85-V88 PolarHBondContact O-N 3.21Å; V88-I91 WeakPolarHBondContact O-CB 3.46Å; V88-I91 PolarHBondContact O-N 2.89Å; V88-S92 WeakPolarHBondContact O-CB 3.36Å; V88-S92 PolarHBondContact O-N 2.94Å; V88-S92 PolarHBondContact O-OG 3.47Å
89	L	64.3	Low	60	Low	118 Å²	118	67 Å²	67	62%	0.618	36%	0.357	S	S	*	.	H	α-helix	trans	-62.1	-46.4	175.1	-94.4	160.6	0	0	0	111.3	G85 I86 I91 S92 A93	G85-L89 VanDerWaalsContact O-CB 3.28Å; G85-L89 WeakPolarHBondContact O-CB 3.48Å; G85-L89 PolarHBondContact O-N 3.31Å; I86-L89 PolarHBondContact O-N 2.7Å; L89-I91 VanDerWaalsContact C-N 3.3Å; L89-I91 PolarHBondContact O-N 3.3Å; L89-S92 WeakPolarHBondContact CA-OG 3.19Å; L89-S92 PolarHBondContact O-N 3.28Å; L89-S92 PolarHBondContact O-OG 3.49Å; L89-A93 WeakPolarHBondContact O-CB 3.23Å; L89-A93 PolarHBondContact O-N 2.84Å
90	L	59.9	Low	60.9	Low	63 Å²	63	71.3 Å²	71.3	33%	0.33	37%	0.368	S	S	.	.	H	α-helix	trans	-55.4	-45.9	173.6	-94.4	152.5	0	0	0	110.9	I86 S87 S92 V94	I86-L90 HydrophobicContact CG2-CD1 3.81Å; I86-L90 VanDerWaalsContact O-CB 3.31Å; I86-L90 WeakPolarHBondContact O-CB 3.46Å; I86-L90 PolarHBondContact O-N 3.03Å; S87-L90 PolarHBondContact O-N 3.28Å; L90-S92 PolarHBondContact O-N 3.46Å; L90-V94 WeakPolarHBondContact O-CB 3.49Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 3.41Å
91	I	57.7	Low	61.6	Low	5 Å²	5	71.3 Å²	71.3	3%	0.026	37%	0.368	C	S	.	.	H	α-helix	trans	-59.5	-49.1	176.1	-64.2	161.3	0	0	0	111.1	F56 S87 V88 L89 A93 V94 N95 V98 M102	F56-I91 HydrophobicContact CB-CD1 3.63Å; F56-I91 HydrophobicContact CB-CG1 4.19Å; F56-I91 HydrophobicContact CD1-CD1 3.65Å; F56-I91 HydrophobicContact CD1-CG1 3.4Å; F56-I91 VanDerWaalsContact CD1-CG1 3.4Å; F56-I91 HydrophobicContact CD2-CD1 3.88Å; F56-I91 HydrophobicContact CD2-CG1 3.51Å; F56-I91 HydrophobicContact CE1-CD1 4.2Å; F56-I91 HydrophobicContact CE1-CG1 3.42Å; F56-I91 VanDerWaalsContact CE1-CG1 3.42Å; F56-I91 HydrophobicContact CE2-CD1 4.43Å; F56-I91 HydrophobicContact CE2-CG1 3.56Å; F56-I91 HydrophobicContact CG-CD1 3.46Å; F56-I91 VanDerWaalsContact CG-CD1 3.46Å; F56-I91 HydrophobicContact CG-CG1 3.44Å; F56-I91 VanDerWaalsContact CG-CG1 3.44Å; F56-I91 HydrophobicContact CZ-CB 4.48Å; F56-I91 HydrophobicContact CZ-CG1 3.51Å; S87-I91 WeakPolarHBondContact O-CD1 3.44Å; S87-I91 WeakPolarHBondContact O-CG1 3.49Å; S87-I91 PolarHBondContact O-N 3.34Å; V88-I91 WeakPolarHBondContact O-CB 3.46Å; V88-I91 PolarHBondContact O-N 2.89Å; L89-I91 VanDerWaalsContact C-N 3.3Å; L89-I91 PolarHBondContact O-N 3.3Å; I91-A93 PolarHBondContact O-N 2.67Å; I91-V94 PolarHBondContact O-N 2.93Å; I91-N95 PolarHBondContact O-N 3.26Å; I91-V98 HydrophobicContact CG2-CB 4.1Å; I91-V98 HydrophobicContact CG2-CG1 3.72Å; I91-M102 HydrophobicContact CD1-CE 3.58Å; I91-M102 HydrophobicContact CD1-SD 4.23Å; I91-M102 HydrophobicContact CG2-CE 4.3Å
92	S	59.2	Low	62	Low	45 Å²	45	65.6 Å²	65.6	32%	0.315	35%	0.349	S	S	.	.	H	α-helix	trans	-66.6	-36.6	-175.4	69	0	0	0	0	113.4	V88 L89 L90 V94	V88-S92 WeakPolarHBondContact O-CB 3.36Å; V88-S92 PolarHBondContact O-N 2.94Å; V88-S92 PolarHBondContact O-OG 3.47Å; L89-S92 WeakPolarHBondContact CA-OG 3.19Å; L89-S92 PolarHBondContact O-N 3.28Å; L89-S92 PolarHBondContact O-OG 3.49Å; L90-S92 PolarHBondContact O-N 3.46Å; S92-V94 VanDerWaalsContact C-N 3.27Å; S92-V94 PolarHBondContact O-N 2.82Å
93	A	61.7	Low	62.5	Low	87 Å²	87	66.5 Å²	66.5	72%	0.719	35%	0.354	S	S	*	.	H	α-helix	trans	-71.2	-27.3	178.1	0	0	0	0	0	112.1	L89 I91	L89-A93 WeakPolarHBondContact O-CB 3.23Å; L89-A93 PolarHBondContact O-N 2.84Å; I91-A93 PolarHBondContact O-N 2.67Å
94	V	54.9	Low	63.2	Low	55 Å²	55	66.7 Å²	66.7	33%	0.333	36%	0.355	S	S	.	.	H	α-helix	trans	-91	-48.2	-170	163.8	0	0	0	0	112.1	L90 I91 S92 I231	L90-V94 WeakPolarHBondContact O-CB 3.49Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 3.41Å; I91-V94 PolarHBondContact O-N 2.93Å; S92-V94 VanDerWaalsContact C-N 3.27Å; S92-V94 PolarHBondContact O-N 2.82Å; V94-I231 HydrophobicContact CB-CD1 4.43Å; V94-I231 HydrophobicContact CB-CG1 4.46Å; V94-I231 HydrophobicContact CG1-CB 4.3Å; V94-I231 HydrophobicContact CG1-CD1 2.99Å; V94-I231 HydrophobicContact CG1-CG1 3.28Å; V94-I231 HydrophobicContact CG1-CG2 4.05Å; V94-I231 HydrophobicContact CG2-CG1 4.34Å
95	N	59	Low	63.8	Low	47 Å²	47	68.1 Å²	68.1	25%	0.251	38%	0.375	S	S	.	.			trans	-155.6	104.9	176.5	-168.3	-12.8	0	0	0	111.2	I91 R97 V98	I91-N95 PolarHBondContact O-N 3.26Å; N95-R97 PolarHBondContact O-N 3.14Å; N95-R97 VanDerWaalsContact O-N 3.09Å; N95-R97 WeakPolarHBondContact OD1-CB 3.22Å; N95-R97 PolarHBondContact OD1-N 2.96Å; N95-R97 VanDerWaalsContact OD1-N 3.11Å; N95-V98 HydrophobicContact CB-CB 4.47Å; N95-V98 HydrophobicContact CB-CG2 3.75Å; N95-V98 WeakPolarHBondContact O-CB 3.38Å; N95-V98 PolarHBondContact O-N 2.75Å
96	F	67.5	Low	64	Low	128 Å²	128	67.7 Å²	67.7	56%	0.561	37%	0.368	S	S	*	.	H	α-helix	trans	-57.9	-26.7	179.5	-166	-113	0	0	0	113	V98 L99 F100	F96-V98 VanDerWaalsContact C-N 3.34Å; F96-V98 PolarHBondContact O-N 2.92Å; F96-L99 WeakPolarHBondContact O-CB 2.95Å; F96-L99 PolarHBondContact O-N 3.49Å; F96-F100 HydrophobicContact CD1-CD2 4.11Å; F96-F100 AromaticContact CD1-CE2 3.47Å; F96-F100 HydrophobicContact CD1-CE2 3.47Å; F96-F100 VanDerWaalsContact CD1-CE2 3.47Å; F96-F100 HydrophobicContact CD1-CZ 4.33Å; F96-F100 HydrophobicContact CE1-CD2 4.12Å; F96-F100 AromaticContact CE1-CE2 3.13Å; F96-F100 HydrophobicContact CE1-CE2 3.13Å; F96-F100 AromaticContact CE1-CZ 3.54Å; F96-F100 HydrophobicContact CE1-CZ 3.54Å; F96-F100 AromaticContact CZ-CE2 3.97Å; F96-F100 HydrophobicContact CZ-CE2 3.97Å; F96-F100 HydrophobicContact CZ-CZ 4.05Å
97	R	66.6	Low	64.3	Low	192 Å²	192	63.7 Å²	63.7	73%	0.725	35%	0.347	S	S	*	.	H	α-helix	trans	-66.7	-33.8	176.2	-62	-177	177.9	-178.3	0.1	112.7	M49 N95 L99 F100 F101	M49-R97 HydrophobicContact CE-CB 4.39Å; N95-R97 PolarHBondContact O-N 3.14Å; N95-R97 VanDerWaalsContact O-N 3.09Å; N95-R97 WeakPolarHBondContact OD1-CB 3.22Å; N95-R97 PolarHBondContact OD1-N 2.96Å; N95-R97 VanDerWaalsContact OD1-N 3.11Å; R97-L99 PolarHBondContact O-N 2.98Å; R97-F100 PolarHBondContact O-N 3.09Å; R97-F101 PolarHBondContact O-N 2.86Å
98	V	62.7	Low	64.9	Low	5 Å²	5	66.6 Å²	66.6	3%	0.03	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-35.5	176	177.2	0	0	0	0	110	M49 I91 N95 F96 F101 M102	M49-V98 HydrophobicContact SD-CB 4.46Å; M49-V98 HydrophobicContact SD-CG2 3.48Å; M49-V98 WeakPolarHBondContact SD-CG2 3.36Å; I91-V98 HydrophobicContact CG2-CB 4.1Å; I91-V98 HydrophobicContact CG2-CG1 3.72Å; N95-V98 HydrophobicContact CB-CB 4.47Å; N95-V98 HydrophobicContact CB-CG2 3.75Å; N95-V98 WeakPolarHBondContact O-CB 3.38Å; N95-V98 PolarHBondContact O-N 2.75Å; F96-V98 VanDerWaalsContact C-N 3.34Å; F96-V98 PolarHBondContact O-N 2.92Å; V98-F101 WeakPolarHBondContact O-CB 3.4Å; V98-F101 PolarHBondContact O-N 3.45Å; V98-M102 HydrophobicContact CG1-CG 4.32Å; V98-M102 VanDerWaalsContact O-CG 3.3Å; V98-M102 WeakPolarHBondContact O-CG 3.34Å; V98-M102 PolarHBondContact O-N 3.16Å
99	L	65.9	Low	65.4	Low	48 Å²	48	68 Å²	68	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-65.9	-41.7	179.7	-160.3	130.1	0	0	0	112.2	F96 R97 M102	F96-L99 WeakPolarHBondContact O-CB 2.95Å; F96-L99 PolarHBondContact O-N 3.49Å; R97-L99 PolarHBondContact O-N 2.98Å; L99-M102 PolarHBondContact O-N 3.13Å
100	F	70.9	Confident	65.7	Low	127 Å²	127	62.3 Å²	62.3	56%	0.557	34%	0.339	S	S	*	.	H	α-helix	trans	-66.3	-38.5	171.7	-72.7	-67.2	0	0	0	112.4	F96 R97 M102 L103 S104	F96-F100 HydrophobicContact CD1-CD2 4.11Å; F96-F100 AromaticContact CD1-CE2 3.47Å; F96-F100 HydrophobicContact CD1-CE2 3.47Å; F96-F100 VanDerWaalsContact CD1-CE2 3.47Å; F96-F100 HydrophobicContact CD1-CZ 4.33Å; F96-F100 HydrophobicContact CE1-CD2 4.12Å; F96-F100 AromaticContact CE1-CE2 3.13Å; F96-F100 HydrophobicContact CE1-CE2 3.13Å; F96-F100 AromaticContact CE1-CZ 3.54Å; F96-F100 HydrophobicContact CE1-CZ 3.54Å; F96-F100 AromaticContact CZ-CE2 3.97Å; F96-F100 HydrophobicContact CZ-CE2 3.97Å; F96-F100 HydrophobicContact CZ-CZ 4.05Å; R97-F100 PolarHBondContact O-N 3.09Å; F100-M102 VanDerWaalsContact C-N 3.31Å; F100-M102 PolarHBondContact O-N 3.15Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 3.44Å; F100-L103 VanDerWaalsContact O-N 3.09Å; F100-S104 PolarHBondContact O-N 2.62Å
101	F	68	Low	66.1	Low	31 Å²	31	60 Å²	60	14%	0.136	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-39.5	176.1	-178.8	-97.6	0	0	0	111.9	I45 M49 H50 R97 V98 L103 S104 Y107	I45-F101 HydrophobicContact CG2-CE2 3.41Å; I45-F101 VanDerWaalsContact CG2-CE2 3.41Å; I45-F101 HydrophobicContact CG2-CZ 3.63Å; M49-F101 HydrophobicContact CB-CD1 3.88Å; M49-F101 HydrophobicContact CB-CD2 4.21Å; M49-F101 HydrophobicContact CB-CE1 4.11Å; M49-F101 HydrophobicContact CB-CE2 4.42Å; M49-F101 HydrophobicContact CB-CG 3.93Å; M49-F101 HydrophobicContact CB-CZ 4.37Å; H50-F101 HydrophobicContact CB-CE1 4.13Å; H50-F101 HydrophobicContact CB-CZ 4.06Å; H50-F101 AromaticContact ND1-CE1 3.8Å; H50-F101 AromaticContact ND1-CZ 3.73Å; R97-F101 PolarHBondContact O-N 2.86Å; V98-F101 WeakPolarHBondContact O-CB 3.4Å; V98-F101 PolarHBondContact O-N 3.45Å; F101-L103 PolarHBondContact O-N 3.41Å; F101-L103 VanDerWaalsContact O-N 3.13Å; F101-S104 VanDerWaalsContact O-CB 3.23Å; F101-S104 WeakPolarHBondContact O-CB 3.38Å; F101-S104 PolarHBondContact O-N 2.95Å; F101-S104 PolarHBondContact O-OG 3.44Å; F101-Y107 HydrophobicContact CD1-CD2 4.09Å; F101-Y107 HydrophobicContact CD1-CG 4.36Å; F101-Y107 AromaticContact CE1-CD2 3.47Å; F101-Y107 HydrophobicContact CE1-CD2 3.47Å; F101-Y107 VanDerWaalsContact CE1-CD2 3.47Å; F101-Y107 HydrophobicContact CE1-CE2 4.14Å; F101-Y107 AromaticContact CE1-CG 4Å; F101-Y107 HydrophobicContact CE1-CG 4Å; F101-Y107 HydrophobicContact CZ-CD2 4.29Å
102	M	65.6	Low	66.7	Low	41 Å²	41	61.3 Å²	61.3	20%	0.202	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-18	175.1	-69.4	-142	-61.3	0	0	113.6	I91 V98 L99 F100 Y107 V108	I91-M102 HydrophobicContact CD1-CE 3.58Å; I91-M102 HydrophobicContact CD1-SD 4.23Å; I91-M102 HydrophobicContact CG2-CE 4.3Å; V98-M102 HydrophobicContact CG1-CG 4.32Å; V98-M102 VanDerWaalsContact O-CG 3.3Å; V98-M102 WeakPolarHBondContact O-CG 3.34Å; V98-M102 PolarHBondContact O-N 3.16Å; L99-M102 PolarHBondContact O-N 3.13Å; F100-M102 VanDerWaalsContact C-N 3.31Å; F100-M102 PolarHBondContact O-N 3.15Å; M102-Y107 VanDerWaalsContact CA-CD1 3.42Å; M102-Y107 HydrophobicContact CB-CD1 4.1Å; M102-Y107 HydrophobicContact CB-CE1 3.75Å; M102-Y107 HydrophobicContact CG-CD1 4.34Å; M102-Y107 HydrophobicContact CG-CE1 3.64Å; M102-Y107 VanDerWaalsContact O-CD1 3.31Å; M102-Y107 WeakPolarHBondContact O-CD1 3.36Å; M102-Y107 HydrophobicContact SD-CE1 3.89Å; M102-Y107 PolarHBondContact SD-OH 2.84Å; M102-V108 WeakPolarHBondContact O-CG2 3.39Å
103	L	69.7	Low	67.1	Low	126 Å²	126	59.5 Å²	59.5	66%	0.66	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.3	174.5	-64.3	169.4	0	0	0	113.1	F100 F101	F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 3.44Å; F100-L103 VanDerWaalsContact O-N 3.09Å; F101-L103 PolarHBondContact O-N 3.41Å; F101-L103 VanDerWaalsContact O-N 3.13Å
104	S	71.4	Confident	67.4	Low	33 Å²	33	55.5 Å²	55.5	23%	0.231	30%	0.297	C	S	.	.	S	Bend	trans	-66.6	141.4	177.9	69.5	0	0	0	0	111.1	F100 F101 S106 Y107 V108	F100-S104 PolarHBondContact O-N 2.62Å; F101-S104 VanDerWaalsContact O-CB 3.23Å; F101-S104 WeakPolarHBondContact O-CB 3.38Å; F101-S104 PolarHBondContact O-N 2.95Å; F101-S104 PolarHBondContact O-OG 3.44Å; S104-S106 VanDerWaalsContact C-N 3.26Å; S104-S106 PolarHBondContact O-N 3.35Å; S104-S106 PolarHBondContact OG-OG 2.8Å; S104-Y107 PolarHBondContact O-N 3.26Å; S104-Y107 WeakPolarHBondContact OG-CB 3.21Å; S104-Y107 PolarHBondContact OG-N 2.97Å; S104-V108 VanDerWaalsContact O-CG2 3.31Å; S104-V108 WeakPolarHBondContact O-CG2 3.31Å; S104-V108 PolarHBondContact O-N 2.98Å
105	A	71.8	Confident	68	Low	86 Å²	86	53.6 Å²	53.6	71%	0.711	29%	0.287	S	S	*	.	H	α-helix	trans	-59	-38	-176.1	0	0	0	0	0	112.7	L109	A105-L109 VanDerWaalsContact O-CB 3.29Å; A105-L109 WeakPolarHBondContact O-CB 3.31Å; A105-L109 PolarHBondContact O-N 3.28Å
106	S	67.9	Low	68.4	Low	20 Å²	20	54.8 Å²	54.8	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-50.7	176	47.2	0	0	0	0	111.6	I45 S104 L109 H110	I45-S106 VanDerWaalsContact CD1-CB 3.45Å; I45-S106 VanDerWaalsContact CD1-OG 3.26Å; I45-S106 WeakPolarHBondContact CD1-OG 3.33Å; S104-S106 VanDerWaalsContact C-N 3.26Å; S104-S106 PolarHBondContact O-N 3.35Å; S104-S106 PolarHBondContact OG-OG 2.8Å; S106-L109 PolarHBondContact O-N 3.42Å; S106-H110 PolarHBondContact O-N 3.37Å
107	Y	67.9	Low	68.5	Low	4 Å²	4	48.9 Å²	48.9	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-44.3	179.6	-179.2	-93.1	0	0	0	111.4	H50 G53 L57 F101 M102 S104 L109 H110 S111	H50-Y107 AromaticContact CE1-CD2 3.74Å; H50-Y107 AromaticContact ND1-CD2 3.48Å; H50-Y107 WeakPolarHBondContact ND1-CD2 3.38Å; G53-Y107 VanDerWaalsContact CA-OH 3.23Å; G53-Y107 WeakPolarHBondContact CA-OH 3.38Å; G53-Y107 PolarHBondContact O-OH 3.48Å; L57-Y107 HydrophobicContact CD1-CE1 3.89Å; L57-Y107 HydrophobicContact CD1-CE2 4.1Å; L57-Y107 VanDerWaalsContact CD1-CZ 3.41Å; L57-Y107 WeakPolarHBondContact CD1-OH 3.25Å; L57-Y107 VanDerWaalsContact CG-OH 3.3Å; L57-Y107 WeakPolarHBondContact CG-OH 3.36Å; F101-Y107 HydrophobicContact CD1-CD2 4.09Å; F101-Y107 HydrophobicContact CD1-CG 4.36Å; F101-Y107 AromaticContact CE1-CD2 3.47Å; F101-Y107 HydrophobicContact CE1-CD2 3.47Å; F101-Y107 VanDerWaalsContact CE1-CD2 3.47Å; F101-Y107 HydrophobicContact CE1-CE2 4.14Å; F101-Y107 AromaticContact CE1-CG 4Å; F101-Y107 HydrophobicContact CE1-CG 4Å; F101-Y107 HydrophobicContact CZ-CD2 4.29Å; M102-Y107 VanDerWaalsContact CA-CD1 3.42Å; M102-Y107 HydrophobicContact CB-CD1 4.1Å; M102-Y107 HydrophobicContact CB-CE1 3.75Å; M102-Y107 HydrophobicContact CG-CD1 4.34Å; M102-Y107 HydrophobicContact CG-CE1 3.64Å; M102-Y107 VanDerWaalsContact O-CD1 3.31Å; M102-Y107 WeakPolarHBondContact O-CD1 3.36Å; M102-Y107 HydrophobicContact SD-CE1 3.89Å; M102-Y107 PolarHBondContact SD-OH 2.84Å; S104-Y107 PolarHBondContact O-N 3.26Å; S104-Y107 WeakPolarHBondContact OG-CB 3.21Å; S104-Y107 PolarHBondContact OG-N 2.97Å; Y107-L109 VanDerWaalsContact C-N 3.31Å; Y107-L109 PolarHBondContact O-N 3.33Å; Y107-H110 PolarHBondContact O-N 3.48Å; Y107-S111 WeakPolarHBondContact O-CB 3.4Å; Y107-S111 PolarHBondContact O-N 3.41Å; Y107-S111 PolarHBondContact O-OG 2.77Å
108	V	71.4	Confident	68.5	Low	74 Å²	74	39.8 Å²	39.8	45%	0.448	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-40.2	177.8	173.3	0	0	0	0	111.4	M102 S104 S111 G112	M102-V108 WeakPolarHBondContact O-CG2 3.39Å; S104-V108 VanDerWaalsContact O-CG2 3.31Å; S104-V108 WeakPolarHBondContact O-CG2 3.31Å; S104-V108 PolarHBondContact O-N 2.98Å; V108-S111 VanDerWaalsContact CA-OG 3.31Å; V108-S111 WeakPolarHBondContact CA-OG 3.29Å; V108-S111 PolarHBondContact O-OG 2.97Å; V108-G112 WeakPolarHBondContact O-CA 3.48Å; V108-G112 PolarHBondContact O-N 3.24Å
109	L	69.8	Low	68.7	Low	92 Å²	92	42.7 Å²	42.7	48%	0.482	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-46.7	178.3	-166.1	109.8	0	0	0	111.5	A105 S106 Y107 A113	A105-L109 VanDerWaalsContact O-CB 3.29Å; A105-L109 WeakPolarHBondContact O-CB 3.31Å; A105-L109 PolarHBondContact O-N 3.28Å; S106-L109 PolarHBondContact O-N 3.42Å; Y107-L109 VanDerWaalsContact C-N 3.31Å; Y107-L109 PolarHBondContact O-N 3.33Å; L109-A113 WeakPolarHBondContact O-CB 3.28Å; L109-A113 PolarHBondContact O-N 3.49Å
110	H	70.2	Confident	68.7	Low	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-51.1	178.4	180	67.3	0	0	0	112.1	L33 S36 R37 E40 H50 D54 S106 Y107 G112 A113 K114	L33-H110 VanDerWaalsContact CD1-CE1 3.41Å; L33-H110 WeakPolarHBondContact CD1-CE1 2.98Å; S36-H110 WeakPolarHBondContact OG-CB 3.31Å; S36-H110 PolarHBondContact OG-ND1 3.3Å; R37-H110 PolarHBondContact NE-CE1 2.77Å; R37-H110 PolarHBondContact NH1-CE1 2.8Å; R37-H110 PolarHBondContact NH1-NE2 3.4Å; R37-H110 PolarHBondContact NH2-CE1 3.17Å; R37-H110 VanDerWaalsContact NH2-CE1 3.26Å; R37-H110 PolarHBondContact NH2-NE2 2.9Å; E40-H110 WeakPolarHBondContact OE1-CB 3.13Å; E40-H110 IonicContact OE1-CD2 3.89Å; E40-H110 IonicContact OE1-CG 2.67Å; E40-H110 VanDerWaalsContact OE1-CG 3.3Å; E40-H110 IonicContact OE1-ND1 3.73Å; H50-H110 AromaticContact CE1-CD2 3.57Å; H50-H110 AromaticContact NE2-CD2 3.2Å; H50-H110 PolarHBondContact NE2-CD2 2.8Å; H50-H110 AromaticContact NE2-CG 3.85Å; H50-H110 AromaticContact NE2-NE2 3.69Å; D54-H110 IonicContact OD1-CD2 3.24Å; D54-H110 IonicContact OD1-NE2 3.9Å; D54-H110 IonicContact OD2-NE2 3.3Å; S106-H110 PolarHBondContact O-N 3.37Å; Y107-H110 PolarHBondContact O-N 3.48Å; H110-G112 VanDerWaalsContact C-N 3.33Å; H110-G112 PolarHBondContact O-N 2.69Å; H110-A113 PolarHBondContact O-N 2.83Å; H110-K114 WeakPolarHBondContact O-CB 3.42Å; H110-K114 PolarHBondContact O-N 3.49Å
111	S	69	Low	68.5	Low	15 Å²	15	36 Å²	36	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-41.1	178.2	59.6	0	0	0	0	112.4	Y107 V108 K114 A115	Y107-S111 WeakPolarHBondContact O-CB 3.4Å; Y107-S111 PolarHBondContact O-N 3.41Å; Y107-S111 PolarHBondContact O-OG 2.77Å; V108-S111 VanDerWaalsContact CA-OG 3.31Å; V108-S111 WeakPolarHBondContact CA-OG 3.29Å; V108-S111 PolarHBondContact O-OG 2.97Å; S111-K114 PolarHBondContact O-N 2.99Å; S111-A115 WeakPolarHBondContact O-CB 3.4Å; S111-A115 PolarHBondContact O-N 3.09Å
112	G	68.9	Low	68.2	Low	31 Å²	31	35.3 Å²	35.3	32%	0.32	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-43	175.5	0	0	0	0	0	112.3	V108 H110 A115 V116	V108-G112 WeakPolarHBondContact O-CA 3.48Å; V108-G112 PolarHBondContact O-N 3.24Å; H110-G112 VanDerWaalsContact C-N 3.33Å; H110-G112 PolarHBondContact O-N 2.69Å; G112-A115 WeakPolarHBondContact O-CB 3.3Å; G112-A115 PolarHBondContact O-N 3.07Å; G112-V116 VanDerWaalsContact O-CG2 3.26Å; G112-V116 WeakPolarHBondContact O-CG2 3.23Å; G112-V116 PolarHBondContact O-N 3.36Å
113	A	68.3	Low	68.2	Low	7 Å²	7	37.5 Å²	37.5	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-46.9	174.9	0	0	0	0	0	111.3	L32 L33 L109 H110 A115 V116 I117	L32-A113 HydrophobicContact CB-CB 4.1Å; L33-A113 HydrophobicContact CB-CB 4.2Å; L33-A113 HydrophobicContact CD1-CB 4.22Å; L109-A113 WeakPolarHBondContact O-CB 3.28Å; L109-A113 PolarHBondContact O-N 3.49Å; H110-A113 PolarHBondContact O-N 2.83Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A113-A115 PolarHBondContact O-N 3.26Å; A113-V116 PolarHBondContact O-N 3.21Å; A113-I117 VanDerWaalsContact O-CG1 3.29Å; A113-I117 WeakPolarHBondContact O-CG1 3.21Å; A113-I117 PolarHBondContact O-N 2.87Å
114	K	68.8	Low	68	Low	3 Å²	3	32.6 Å²	32.6	1%	0.013	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-43.6	177.9	-163	-174.2	-172.7	-164.1	0	112	L33 D54 D58 H110 S111 I117 Y118	L33-K114 HydrophobicContact CD1-CB 3.84Å; L33-K114 HydrophobicContact CD1-CG 4.38Å; D54-K114 IonicContact OD1-NZ 3.86Å; D54-K114 IonicContact OD2-NZ 3.74Å; D58-K114 WeakPolarHBondContact OD1-CE 3.22Å; D58-K114 IonicContact OD1-NZ 3.88Å; D58-K114 PolarHBondContact OD1-NZ 2.84Å; D58-K114 IonicContact OD2-NZ 3.88Å; D58-K114 PolarHBondContact OD2-NZ 3.02Å; H110-K114 WeakPolarHBondContact O-CB 3.42Å; H110-K114 PolarHBondContact O-N 3.49Å; S111-K114 PolarHBondContact O-N 2.99Å; K114-I117 PolarHBondContact O-N 2.65Å; K114-Y118 HydrophobicContact CD-CE2 4.16Å; K114-Y118 HydrophobicContact CG-CD2 4.06Å; K114-Y118 HydrophobicContact CG-CE2 3.7Å; K114-Y118 VanDerWaalsContact O-CD2 3.24Å; K114-Y118 WeakPolarHBondContact O-CD2 3.24Å; K114-Y118 PolarHBondContact O-N 2.88Å
115	A	67.3	Low	67.5	Low	16 Å²	16	32 Å²	32	13%	0.132	20%	0.198	C	C	.	.	H	α-helix	trans	-55.3	-51.5	174	0	0	0	0	0	112.3	F61 S111 G112 A113 I117 Y118 V119	F61-A115 HydrophobicContact CE1-CB 3.66Å; F61-A115 HydrophobicContact CE2-CB 3.48Å; F61-A115 VanDerWaalsContact CE2-CB 3.48Å; F61-A115 VanDerWaalsContact CZ-CA 3.5Å; F61-A115 HydrophobicContact CZ-CB 2.99Å; S111-A115 WeakPolarHBondContact O-CB 3.4Å; S111-A115 PolarHBondContact O-N 3.09Å; G112-A115 WeakPolarHBondContact O-CB 3.3Å; G112-A115 PolarHBondContact O-N 3.07Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A113-A115 PolarHBondContact O-N 3.26Å; A115-I117 VanDerWaalsContact C-N 3.34Å; A115-I117 PolarHBondContact O-N 3.48Å; A115-Y118 PolarHBondContact O-N 3.47Å; A115-V119 WeakPolarHBondContact O-CG2 3.35Å; A115-V119 PolarHBondContact O-N 2.96Å
116	V	67.4	Low	66.9	Low	71 Å²	71	29.9 Å²	29.9	43%	0.43	18%	0.175	S	C	.	.	H	α-helix	trans	-61.4	-44.2	180	170.6	0	0	0	0	110.4	A29 G112 A113 Y118 V119 L120	A29-V116 HydrophobicContact CB-CB 4.37Å; A29-V116 HydrophobicContact CB-CG1 3.85Å; G112-V116 VanDerWaalsContact O-CG2 3.26Å; G112-V116 WeakPolarHBondContact O-CG2 3.23Å; G112-V116 PolarHBondContact O-N 3.36Å; A113-V116 PolarHBondContact O-N 3.21Å; V116-Y118 VanDerWaalsContact C-N 3.34Å; V116-Y118 PolarHBondContact O-N 3.04Å; V116-V119 PolarHBondContact O-N 3.21Å; V116-L120 HydrophobicContact CG1-CD1 3.67Å; V116-L120 HydrophobicContact CG1-CG 4.15Å; V116-L120 WeakPolarHBondContact O-CB 2.96Å; V116-L120 VanDerWaalsContact O-CG 3.26Å; V116-L120 WeakPolarHBondContact O-CG 3.3Å; V116-L120 PolarHBondContact O-N 3.44Å
117	I	69.4	Low	66.4	Low	4 Å²	4	33.4 Å²	33.4	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-47.4	176.2	-67.1	165.2	0	0	0	110.7	L26 A29 L33 A113 K114 A115 V119 L120 L121 L147	L26-I117 HydrophobicContact CD1-CG2 4.22Å; A29-I117 HydrophobicContact CB-CD1 4.38Å; A29-I117 HydrophobicContact CB-CG1 3.6Å; L33-I117 HydrophobicContact CB-CD1 3.92Å; L33-I117 HydrophobicContact CD1-CD1 4.39Å; L33-I117 HydrophobicContact CD2-CD1 3.82Å; L33-I117 HydrophobicContact CG-CD1 4.28Å; A113-I117 VanDerWaalsContact O-CG1 3.29Å; A113-I117 WeakPolarHBondContact O-CG1 3.21Å; A113-I117 PolarHBondContact O-N 2.87Å; K114-I117 PolarHBondContact O-N 2.65Å; A115-I117 VanDerWaalsContact C-N 3.34Å; A115-I117 PolarHBondContact O-N 3.48Å; I117-V119 PolarHBondContact O-N 3.23Å; I117-L120 PolarHBondContact O-N 3.3Å; I117-L121 HydrophobicContact CG2-CD1 3.7Å; I117-L121 HydrophobicContact CG2-CG 4.28Å; I117-L121 VanDerWaalsContact O-CB 3.27Å; I117-L121 WeakPolarHBondContact O-CB 3.3Å; I117-L121 VanDerWaalsContact O-CG 3.3Å; I117-L121 WeakPolarHBondContact O-CG 3.33Å; I117-L121 PolarHBondContact O-N 2.88Å; I117-L147 HydrophobicContact CG2-CD1 4.16Å; I117-L147 HydrophobicContact CG2-CD2 4.05Å; I117-L147 HydrophobicContact CG2-CG 4.24Å
118	Y	67	Low	65.8	Low	2 Å²	2	35.3 Å²	35.3	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-40.3	-179.9	-82	-52.6	0	0	0	113.3	K114 A115 V116 Y122 L147 L205 R208	K114-Y118 HydrophobicContact CD-CE2 4.16Å; K114-Y118 HydrophobicContact CG-CD2 4.06Å; K114-Y118 HydrophobicContact CG-CE2 3.7Å; K114-Y118 VanDerWaalsContact O-CD2 3.24Å; K114-Y118 WeakPolarHBondContact O-CD2 3.24Å; K114-Y118 PolarHBondContact O-N 2.88Å; A115-Y118 PolarHBondContact O-N 3.47Å; V116-Y118 VanDerWaalsContact C-N 3.34Å; V116-Y118 PolarHBondContact O-N 3.04Å; Y118-Y122 VanDerWaalsContact O-CB 3.29Å; Y118-Y122 WeakPolarHBondContact O-CB 3.14Å; Y118-Y122 PolarHBondContact O-N 3.41Å; Y118-L147 HydrophobicContact CD1-CD1 4.27Å; Y118-L147 HydrophobicContact CE1-CD1 3.75Å; Y118-L205 HydrophobicContact CD1-CD1 3.63Å; Y118-L205 HydrophobicContact CD1-CG 4.42Å; Y118-L205 HydrophobicContact CD2-CD1 3.92Å; Y118-L205 HydrophobicContact CE1-CB 4.07Å; Y118-L205 HydrophobicContact CE1-CD1 3.59Å; Y118-L205 HydrophobicContact CE1-CG 3.89Å; Y118-L205 HydrophobicContact CE2-CD1 3.86Å; Y118-L205 HydrophobicContact CE2-CG 4.31Å; Y118-L205 HydrophobicContact CG-CD1 3.82Å; Y118-R208 WeakPolarHBondContact OH-CD 3.35Å; Y118-R208 PolarHBondContact OH-NH1 3.33Å
119	V	65.4	Low	64.8	Low	65 Å²	65	39.5 Å²	39.5	39%	0.394	20%	0.204	S	C	.	.	H	α-helix	trans	-67	-44.4	177.3	172.5	0	0	0	0	111	F61 L64 A115 V116 I117 Y122 H123	F61-V119 HydrophobicContact CE1-CG2 4.36Å; L64-V119 HydrophobicContact CD2-CG2 4.44Å; A115-V119 WeakPolarHBondContact O-CG2 3.35Å; A115-V119 PolarHBondContact O-N 2.96Å; V116-V119 PolarHBondContact O-N 3.21Å; I117-V119 PolarHBondContact O-N 3.23Å; V119-Y122 PolarHBondContact O-N 3.49Å; V119-H123 WeakPolarHBondContact O-CB 3.11Å; V119-H123 PolarHBondContact O-N 3.27Å
120	L	66.6	Low	63.9	Low	30 Å²	30	44.3 Å²	44.3	16%	0.157	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-45.4	176.9	-69.8	176.1	0	0	0	111.3	M25 L26 V116 I117 Y122 H123 S124	M25-L120 HydrophobicContact CB-CD1 3.89Å; L26-L120 HydrophobicContact CB-CD1 4.18Å; L26-L120 HydrophobicContact CD1-CB 3.82Å; L26-L120 HydrophobicContact CD1-CD1 4.22Å; V116-L120 HydrophobicContact CG1-CD1 3.67Å; V116-L120 HydrophobicContact CG1-CG 4.15Å; V116-L120 WeakPolarHBondContact O-CB 2.96Å; V116-L120 VanDerWaalsContact O-CG 3.26Å; V116-L120 WeakPolarHBondContact O-CG 3.3Å; V116-L120 PolarHBondContact O-N 3.44Å; I117-L120 PolarHBondContact O-N 3.3Å; L120-Y122 VanDerWaalsContact C-N 3.31Å; L120-Y122 PolarHBondContact O-N 2.99Å; L120-H123 PolarHBondContact O-N 3.29Å; L120-S124 PolarHBondContact O-N 3.49Å; L120-S124 PolarHBondContact O-OG 3.49Å; L120-S124 VanDerWaalsContact O-OG 3.13Å
121	L	65.9	Low	62.8	Low	5 Å²	5	46 Å²	46	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-44.5	174.7	-83.3	170.3	0	0	0	112.3	L26 I117 W125 C143 L147	L26-L121 HydrophobicContact CD1-CG 4.36Å; I117-L121 HydrophobicContact CG2-CD1 3.7Å; I117-L121 HydrophobicContact CG2-CG 4.28Å; I117-L121 VanDerWaalsContact O-CB 3.27Å; I117-L121 WeakPolarHBondContact O-CB 3.3Å; I117-L121 VanDerWaalsContact O-CG 3.3Å; I117-L121 WeakPolarHBondContact O-CG 3.33Å; I117-L121 PolarHBondContact O-N 2.88Å; L121-W125 VanDerWaalsContact O-CB 3.28Å; L121-W125 WeakPolarHBondContact O-CB 3.39Å; L121-W125 PolarHBondContact O-N 3.44Å; L121-C143 HydrophobicContact CD1-CB 4.1Å; L121-C143 HydrophobicContact CD2-CB 3.31Å; L121-C143 HydrophobicContact CG-CB 4.08Å; L121-L147 HydrophobicContact CD1-CD1 3.32Å; L121-L147 HydrophobicContact CD1-CG 4.46Å
122	Y	63.3	Low	61.7	Low	16 Å²	16	54.6 Å²	54.6	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-41	178.2	180	-105.7	0	0	0	112.1	L65 L68 Y69 Y118 V119 L120 W125 I126 P201	L65-Y122 HydrophobicContact CD2-CD1 3.86Å; L65-Y122 HydrophobicContact CD2-CD2 4.08Å; L65-Y122 HydrophobicContact CD2-CG 3.57Å; L68-Y122 HydrophobicContact CB-CE1 3.82Å; L68-Y122 HydrophobicContact CD1-CE1 4.42Å; Y69-Y122 WeakPolarHBondContact CA-OH 3.17Å; Y69-Y122 WeakPolarHBondContact CB-OH 3.38Å; Y69-Y122 HydrophobicContact CD2-CE2 4.42Å; Y69-Y122 PolarHBondContact N-OH 3.21Å; Y118-Y122 VanDerWaalsContact O-CB 3.29Å; Y118-Y122 WeakPolarHBondContact O-CB 3.14Å; Y118-Y122 PolarHBondContact O-N 3.41Å; V119-Y122 PolarHBondContact O-N 3.49Å; L120-Y122 VanDerWaalsContact C-N 3.31Å; L120-Y122 PolarHBondContact O-N 2.99Å; Y122-W125 PolarHBondContact O-N 2.85Å; Y122-I126 HydrophobicContact CD1-CD1 3.69Å; Y122-I126 HydrophobicContact CE1-CD1 3.12Å; Y122-I126 HydrophobicContact CE1-CG1 4.11Å; Y122-I126 HydrophobicContact CE2-CD1 4.22Å; Y122-I126 HydrophobicContact CE2-CG1 4.4Å; Y122-I126 HydrophobicContact CG-CD1 4.42Å; Y122-I126 WeakPolarHBondContact O-CG1 3.41Å; Y122-I126 PolarHBondContact O-N 2.95Å; Y122-P201 HydrophobicContact CD2-CG 4.33Å
123	H	65.5	Low	60.7	Low	88 Å²	88	56 Å²	56	41%	0.407	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-46.9	176.4	179.5	-103.8	0	0	0	112.1	V119 L120 W125 I126 K127	V119-H123 WeakPolarHBondContact O-CB 3.11Å; V119-H123 PolarHBondContact O-N 3.27Å; L120-H123 PolarHBondContact O-N 3.29Å; H123-W125 VanDerWaalsContact C-N 3.33Å; H123-W125 PolarHBondContact O-N 3.07Å; H123-I126 PolarHBondContact O-N 2.85Å; H123-K127 WeakPolarHBondContact CE1-CE 3Å; H123-K127 PolarHBondContact CE1-NZ 3.17Å; H123-K127 PolarHBondContact O-N 2.88Å
124	S	64.8	Low	59.6	Low	23 Å²	23	62.9 Å²	62.9	16%	0.161	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-40.8	175	-59.2	0	0	0	0	111.7	L120 I126 K127 H128	L120-S124 PolarHBondContact O-N 3.49Å; L120-S124 PolarHBondContact O-OG 3.49Å; L120-S124 VanDerWaalsContact O-OG 3.13Å; S124-I126 PolarHBondContact O-N 3.41Å; S124-K127 PolarHBondContact O-N 3.47Å; S124-H128 PolarHBondContact O-N 3.27Å
125	W	60.9	Low	58.5	Low	20 Å²	20	65.3 Å²	65.3	8%	0.076	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-36	175.5	-175.6	91.7	0	0	0	113.3	Y69 L121 Y122 H123 H128 R129 I140 E199 H200 P201	Y69-W125 HydrophobicContact CD2-CZ3 4.24Å; Y69-W125 AromaticContact CE2-CH2 3.97Å; Y69-W125 HydrophobicContact CE2-CH2 3.97Å; Y69-W125 AromaticContact CE2-CZ3 3.95Å; Y69-W125 HydrophobicContact CE2-CZ3 3.95Å; L121-W125 VanDerWaalsContact O-CB 3.28Å; L121-W125 WeakPolarHBondContact O-CB 3.39Å; L121-W125 PolarHBondContact O-N 3.44Å; Y122-W125 PolarHBondContact O-N 2.85Å; H123-W125 VanDerWaalsContact C-N 3.33Å; H123-W125 PolarHBondContact O-N 3.07Å; W125-H128 WeakPolarHBondContact O-CB 3.14Å; W125-H128 PolarHBondContact O-N 3.43Å; W125-R129 PolarHBondContact O-N 2.98Å; W125-I140 HydrophobicContact CB-CD1 4.2Å; W125-E199 PolarHBondContact NE1-O 3.12Å; W125-H200 AromaticContact CH2-CD2 3.47Å; W125-H200 VanDerWaalsContact CH2-CD2 3.47Å; W125-H200 WeakPolarHBondContact CH2-CD2 3.45Å; W125-H200 AromaticContact CH2-CE1 3.99Å; W125-H200 AromaticContact CH2-NE2 3.29Å; W125-H200 VanDerWaalsContact CH2-NE2 3.29Å; W125-H200 WeakPolarHBondContact CH2-NE2 3.44Å; W125-H200 HydrophobicContact CZ2-CB 4.46Å; W125-H200 AromaticContact CZ2-CD2 3.41Å; W125-H200 VanDerWaalsContact CZ2-CD2 3.41Å; W125-H200 WeakPolarHBondContact CZ2-CD2 3.34Å; W125-H200 AromaticContact CZ2-CG 3.92Å; W125-H200 AromaticContact CZ2-NE2 3.73Å; W125-H200 AromaticContact CZ3-NE2 3.79Å; W125-P201 HydrophobicContact CB-CG 3.96Å; W125-P201 VanDerWaalsContact CD1-CD 3.43Å; W125-P201 HydrophobicContact CD2-CG 4.23Å; W125-P201 VanDerWaalsContact CG-CD 3.48Å; W125-P201 HydrophobicContact CG-CG 3.87Å
126	I	60	Low	57.6	Low	41 Å²	41	67.1 Å²	67.1	21%	0.21	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-41.4	172.5	-71.2	164.3	0	0	0	111.1	Y122 H123 S124 H128 R129	Y122-I126 HydrophobicContact CD1-CD1 3.69Å; Y122-I126 HydrophobicContact CE1-CD1 3.12Å; Y122-I126 HydrophobicContact CE1-CG1 4.11Å; Y122-I126 HydrophobicContact CE2-CD1 4.22Å; Y122-I126 HydrophobicContact CE2-CG1 4.4Å; Y122-I126 HydrophobicContact CG-CD1 4.42Å; Y122-I126 WeakPolarHBondContact O-CG1 3.41Å; Y122-I126 PolarHBondContact O-N 2.95Å; H123-I126 PolarHBondContact O-N 2.85Å; S124-I126 PolarHBondContact O-N 3.41Å; I126-H128 VanDerWaalsContact C-N 3.33Å; I126-R129 PolarHBondContact O-N 3.35Å
127	K	56.5	Low	56.7	Low	95 Å²	95	67.9 Å²	67.9	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-39.7	177.4	-77.6	-176.3	166.9	-174.3	0	111.4	H123 S124 R129 R130 C131	H123-K127 WeakPolarHBondContact CE1-CE 3Å; H123-K127 PolarHBondContact CE1-NZ 3.17Å; H123-K127 PolarHBondContact O-N 2.88Å; S124-K127 PolarHBondContact O-N 3.47Å; K127-R129 VanDerWaalsContact C-N 3.31Å; K127-R129 PolarHBondContact O-N 3.1Å; K127-R130 WeakPolarHBondContact O-CA 3.45Å; K127-R130 VanDerWaalsContact O-CB 3.32Å; K127-R130 WeakPolarHBondContact O-CB 3.35Å; K127-R130 PolarHBondContact O-N 3.26Å; K127-C131 PolarHBondContact O-N 3.31Å
128	H	55.3	Low	55.9	Low	44 Å²	44	72.3 Å²	72.3	20%	0.204	34%	0.335	C	S	.	.	H	α-helix	trans	-54.8	-39.9	174.1	178.5	63.1	0	0	0	113.8	S124 W125 I126 R130 C131 E136 E137 I140	S124-H128 PolarHBondContact O-N 3.27Å; W125-H128 WeakPolarHBondContact O-CB 3.14Å; W125-H128 PolarHBondContact O-N 3.43Å; I126-H128 VanDerWaalsContact C-N 3.33Å; H128-R130 PolarHBondContact O-N 3.39Å; H128-C131 CarbonylContact O-C 3.36Å; H128-C131 PolarHBondContact O-N 2.88Å; H128-E136 WeakPolarHBondContact CA-OE2 3.38Å; H128-E136 WeakPolarHBondContact CB-OE2 3.27Å; H128-E136 PolarHBondContact N-OE2 2.81Å; H128-E136 IonicContact ND1-OE2 3.23Å; H128-E137 VanDerWaalsContact CE1-CG 3.5Å; H128-E137 WeakPolarHBondContact CE1-CG 3.15Å; H128-E137 IonicContact CE1-OE1 3.88Å; H128-I140 HydrophobicContact CB-CD1 4.27Å
129	R	51.2	Low	55.1	Low	161 Å²	161	73.2 Å²	73.2	61%	0.608	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15	173.4	-82	-134.3	-160.3	-176.6	5.6	114.3	Y69 W125 I126 K127	Y69-R129 PolarHBondContact OH-NH2 2.94Å; W125-R129 PolarHBondContact O-N 2.98Å; I126-R129 PolarHBondContact O-N 3.35Å; K127-R129 VanDerWaalsContact C-N 3.31Å; K127-R129 PolarHBondContact O-N 3.1Å
130	R	50.9	Low	54.5	Low	193 Å²	193	70.7 Å²	70.7	73%	0.728	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-21.5	175.9	-61.8	-177	172.5	177.3	-1.7	112.7	K127 H128	K127-R130 WeakPolarHBondContact O-CA 3.45Å; K127-R130 VanDerWaalsContact O-CB 3.32Å; K127-R130 WeakPolarHBondContact O-CB 3.35Å; K127-R130 PolarHBondContact O-N 3.26Å; H128-R130 PolarHBondContact O-N 3.39Å
131	C	46.7	Very low	53.9	Low	36 Å²	36	70.5 Å²	70.5	24%	0.243	33%	0.328	C	S	.	.			trans	-139.5	118.7	-173.8	-60.9	0	0	0	0	110.9	C14 K127 H128 V133	C14-C131 VanDerWaalsContact SG-SG 3.69Å; K127-C131 PolarHBondContact O-N 3.31Å; H128-C131 CarbonylContact O-C 3.36Å; H128-C131 PolarHBondContact O-N 2.88Å; C131-V133 HydrophobicContact CB-CG2 3.92Å; C131-V133 PolarHBondContact O-N 3.2Å
132	E	46.2	Very low	53.3	Low	196 Å²	196	72.7 Å²	72.7	92%	0.916	34%	0.339	S	S	*	.			trans	-73.3	59.7	175.8	-67	-176.5	168.3	0	0	112
133	V	46.8	Very low	52.9	Low	60 Å²	60	72.2 Å²	72.2	36%	0.364	34%	0.339	S	S	.	.			trans	-96.9	108.7	179.5	-170	0	0	0	0	109.6	C131 M135 E136	C131-V133 HydrophobicContact CB-CG2 3.92Å; C131-V133 PolarHBondContact O-N 3.2Å; V133-M135 HydrophobicContact CG1-CB 4.06Å; V133-M135 PolarHBondContact O-N 2.99Å; V133-E136 HydrophobicContact CB-CG 4.34Å; V133-E136 PolarHBondContact O-N 3.26Å
134	H	46.4	Very low	52.5	Low	151 Å²	151	68.2 Å²	68.2	70%	0.699	32%	0.321	S	S	*	.	H	α-helix	trans	-51.5	-19.7	175	-75.3	-49.8	0	0	0	115	E137 F138	H134-E137 IonicContact CG-OE2 3.86Å; H134-E137 IonicContact ND1-OE2 2.93Å; H134-E137 PolarHBondContact ND1-OE2 3.39Å; H134-E137 WeakPolarHBondContact O-CB 3.4Å; H134-F138 PolarHBondContact O-N 2.93Å
135	M	45.6	Very low	52	Low	54 Å²	54	70.8 Å²	70.8	27%	0.266	33%	0.332	S	S	.	.	H	α-helix	trans	-83.7	-29.5	178.2	-64.6	-67.8	-66.6	0	0	113.9	W11 V21 V133 E137 F138 A139	W11-M135 HydrophobicContact CE3-CG 3.94Å; W11-M135 HydrophobicContact CH2-CE 3.37Å; W11-M135 HydrophobicContact CH2-CG 3.32Å; W11-M135 HydrophobicContact CH2-SD 3.22Å; W11-M135 WeakPolarHBondContact CH2-SD 3.29Å; W11-M135 HydrophobicContact CZ2-CE 4.35Å; W11-M135 HydrophobicContact CZ2-CG 4.02Å; W11-M135 HydrophobicContact CZ2-SD 3.75Å; W11-M135 HydrophobicContact CZ3-CB 4.35Å; W11-M135 HydrophobicContact CZ3-CE 3.92Å; W11-M135 HydrophobicContact CZ3-CG 3.27Å; W11-M135 HydrophobicContact CZ3-SD 3.86Å; V21-M135 HydrophobicContact CG1-CB 4.22Å; V21-M135 HydrophobicContact CG1-CE 3.61Å; V133-M135 HydrophobicContact CG1-CB 4.06Å; V133-M135 PolarHBondContact O-N 2.99Å; M135-E137 VanDerWaalsContact C-N 3.28Å; M135-F138 WeakPolarHBondContact O-CB 3.04Å; M135-F138 PolarHBondContact O-N 3.4Å; M135-A139 PolarHBondContact O-N 3.32Å
136	E	47	Very low	51.8	Low	54 Å²	54	73 Å²	73	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-66.5	-37.4	169.7	-70.2	-172	160	0	0	109.6	H128 V133 F138 A139 I140	H128-E136 WeakPolarHBondContact CA-OE2 3.38Å; H128-E136 WeakPolarHBondContact CB-OE2 3.27Å; H128-E136 PolarHBondContact N-OE2 2.81Å; H128-E136 IonicContact ND1-OE2 3.23Å; V133-E136 HydrophobicContact CB-CG 4.34Å; V133-E136 PolarHBondContact O-N 3.26Å; E136-F138 VanDerWaalsContact C-N 3.3Å; E136-F138 PolarHBondContact O-N 3.37Å; E136-A139 PolarHBondContact O-N 3.5Å; E136-I140 WeakPolarHBondContact O-CB 3.43Å; E136-I140 WeakPolarHBondContact O-CD1 3.39Å; E136-I140 WeakPolarHBondContact O-CG1 3.26Å; E136-I140 PolarHBondContact O-N 2.82Å
137	E	49.5	Very low	51.8	Low	88 Å²	88	71.1 Å²	71.1	41%	0.411	34%	0.335	S	S	.	.	H	α-helix	trans	-58.5	-42.7	170.3	-61.3	179.9	145.7	0	0	111.2	H128 H134 M135 S141	H128-E137 VanDerWaalsContact CE1-CG 3.5Å; H128-E137 WeakPolarHBondContact CE1-CG 3.15Å; H128-E137 IonicContact CE1-OE1 3.88Å; H134-E137 IonicContact CG-OE2 3.86Å; H134-E137 IonicContact ND1-OE2 2.93Å; H134-E137 PolarHBondContact ND1-OE2 3.39Å; H134-E137 WeakPolarHBondContact O-CB 3.4Å; M135-E137 VanDerWaalsContact C-N 3.28Å; E137-S141 WeakPolarHBondContact O-CB 3.24Å; E137-S141 PolarHBondContact O-N 3.48Å; E137-S141 PolarHBondContact O-OG 3.25Å
138	F	52.1	Low	51.8	Low	96 Å²	96	67.3 Å²	67.3	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-44.5	175.7	-175.1	-99.4	0	0	0	112.2	H134 M135 E136 S141 L142	H134-F138 PolarHBondContact O-N 2.93Å; M135-F138 WeakPolarHBondContact O-CB 3.04Å; M135-F138 PolarHBondContact O-N 3.4Å; E136-F138 VanDerWaalsContact C-N 3.3Å; E136-F138 PolarHBondContact O-N 3.37Å; F138-S141 WeakPolarHBondContact CA-OG 3.21Å; F138-S141 PolarHBondContact O-N 3.31Å; F138-S141 PolarHBondContact O-OG 3.47Å; F138-L142 HydrophobicContact CE1-CD1 3.99Å; F138-L142 HydrophobicContact CZ-CD1 3.84Å; F138-L142 WeakPolarHBondContact O-CB 3.43Å; F138-L142 PolarHBondContact O-N 3.43Å
139	A	50.3	Low	51.8	Low	21 Å²	21	68.2 Å²	68.2	17%	0.174	33%	0.33	C	S	.	.	H	α-helix	trans	-67.8	-41.8	179.3	0	0	0	0	0	112.5	M135 E136 C143	M135-A139 PolarHBondContact O-N 3.32Å; E136-A139 PolarHBondContact O-N 3.5Å; A139-C143 WeakPolarHBondContact O-CB 3.29Å; A139-C143 PolarHBondContact O-N 3.43Å; A139-C143 PolarHBondContact O-SG 2.92Å; A139-C143 VanDerWaalsContact O-SG 3.37Å
140	I	52.8	Low	52.2	Low	13 Å²	13	61.3 Å²	61.3	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-46.7	175.5	-67.4	165	0	0	0	109.8	W125 H128 E136 C143 A144	W125-I140 HydrophobicContact CB-CD1 4.2Å; H128-I140 HydrophobicContact CB-CD1 4.27Å; E136-I140 WeakPolarHBondContact O-CB 3.43Å; E136-I140 WeakPolarHBondContact O-CD1 3.39Å; E136-I140 WeakPolarHBondContact O-CG1 3.26Å; E136-I140 PolarHBondContact O-N 2.82Å; I140-C143 PolarHBondContact O-N 3.45Å; I140-A144 VanDerWaalsContact O-CB 3.3Å; I140-A144 WeakPolarHBondContact O-CB 3.32Å; I140-A144 PolarHBondContact O-N 3.36Å
141	S	54.2	Low	52.5	Low	26 Å²	26	52.2 Å²	52.2	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-65.8	-43.2	177.4	59	0	0	0	0	111.6	E137 F138 C143 A144 I145	E137-S141 WeakPolarHBondContact O-CB 3.24Å; E137-S141 PolarHBondContact O-N 3.48Å; E137-S141 PolarHBondContact O-OG 3.25Å; F138-S141 WeakPolarHBondContact CA-OG 3.21Å; F138-S141 PolarHBondContact O-N 3.31Å; F138-S141 PolarHBondContact O-OG 3.47Å; S141-C143 VanDerWaalsContact C-N 3.33Å; S141-C143 PolarHBondContact O-N 2.89Å; S141-A144 CarbonylContact O-C 3.57Å; S141-A144 WeakPolarHBondContact O-CB 3.42Å; S141-A144 PolarHBondContact O-N 2.99Å; S141-A144 VanDerWaalsContact O-N 3.17Å; S141-I145 WeakPolarHBondContact O-CB 3.17Å; S141-I145 WeakPolarHBondContact O-CG1 3.39Å; S141-I145 PolarHBondContact O-N 2.84Å
142	L	53.4	Low	52.8	Low	50 Å²	50	52.2 Å²	52.2	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-43.7	175	-170.4	105.6	0	0	0	111.2	F22 F138 I145 L146	F22-L142 HydrophobicContact CE1-CD2 4.41Å; F22-L142 HydrophobicContact CZ-CD2 4.24Å; F138-L142 HydrophobicContact CE1-CD1 3.99Å; F138-L142 HydrophobicContact CZ-CD1 3.84Å; F138-L142 WeakPolarHBondContact O-CB 3.43Å; F138-L142 PolarHBondContact O-N 3.43Å; L142-I145 WeakPolarHBondContact O-CB 3.48Å; L142-I145 PolarHBondContact O-N 2.7Å; L142-L146 HydrophobicContact CD2-CD1 3.8Å; L142-L146 HydrophobicContact CG-CD1 4.09Å; L142-L146 WeakPolarHBondContact O-CB 3.36Å; L142-L146 WeakPolarHBondContact O-CD1 3.48Å; L142-L146 VanDerWaalsContact O-CG 3.24Å; L142-L146 WeakPolarHBondContact O-CG 3.37Å; L142-L146 PolarHBondContact O-N 2.96Å
143	C	55.8	Low	53.3	Low	7 Å²	7	46.1 Å²	46.1	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-70.2	-34.6	175.9	-74.5	0	0	0	0	112.9	L26 L121 A139 I140 S141 L146 L147	L26-C143 WeakPolarHBondContact CD2-SG 3.3Å; L26-C143 VanDerWaalsContact CG-SG 3.59Å; L121-C143 HydrophobicContact CD1-CB 4.1Å; L121-C143 HydrophobicContact CD2-CB 3.31Å; L121-C143 HydrophobicContact CG-CB 4.08Å; A139-C143 WeakPolarHBondContact O-CB 3.29Å; A139-C143 PolarHBondContact O-N 3.43Å; A139-C143 PolarHBondContact O-SG 2.92Å; A139-C143 VanDerWaalsContact O-SG 3.37Å; I140-C143 PolarHBondContact O-N 3.45Å; S141-C143 VanDerWaalsContact C-N 3.33Å; S141-C143 PolarHBondContact O-N 2.89Å; C143-L146 PolarHBondContact O-N 3.19Å; C143-L147 WeakPolarHBondContact O-CB 3.2Å; C143-L147 WeakPolarHBondContact O-CG 3.45Å; C143-L147 PolarHBondContact O-N 3.36Å
144	A	55.4	Low	53.8	Low	4 Å²	4	44 Å²	44	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-44.2	170.9	0	0	0	0	0	110.7	I140 S141 L147 L148 I198 L204	I140-A144 VanDerWaalsContact O-CB 3.3Å; I140-A144 WeakPolarHBondContact O-CB 3.32Å; I140-A144 PolarHBondContact O-N 3.36Å; S141-A144 CarbonylContact O-C 3.57Å; S141-A144 WeakPolarHBondContact O-CB 3.42Å; S141-A144 PolarHBondContact O-N 2.99Å; S141-A144 VanDerWaalsContact O-N 3.17Å; A144-L147 PolarHBondContact O-N 3.09Å; A144-L148 VanDerWaalsContact O-CB 3.29Å; A144-L148 WeakPolarHBondContact O-CB 3.1Å; A144-L148 PolarHBondContact O-N 3.33Å; A144-I198 HydrophobicContact CB-CG1 4.45Å; A144-L204 HydrophobicContact CB-CD2 3.74Å
145	I	54.8	Low	54.1	Low	76 Å²	76	37 Å²	37	39%	0.39	20%	0.2	S	C	.	.	H	α-helix	trans	-59.2	-47.5	172.6	-66.6	168.2	0	0	0	109.5	S141 L142 L148 C149 F194	S141-I145 WeakPolarHBondContact O-CB 3.17Å; S141-I145 WeakPolarHBondContact O-CG1 3.39Å; S141-I145 PolarHBondContact O-N 2.84Å; L142-I145 WeakPolarHBondContact O-CB 3.48Å; L142-I145 PolarHBondContact O-N 2.7Å; I145-L148 CarbonylContact O-C 3.6Å; I145-L148 WeakPolarHBondContact O-CA 3.36Å; I145-L148 VanDerWaalsContact O-CB 3.27Å; I145-L148 WeakPolarHBondContact O-CB 3.41Å; I145-L148 PolarHBondContact O-N 3.22Å; I145-L148 VanDerWaalsContact O-N 3.09Å; I145-C149 WeakPolarHBondContact O-CB 3.43Å; I145-C149 PolarHBondContact O-N 2.8Å; I145-C149 PolarHBondContact O-SG 2.85Å; I145-F194 HydrophobicContact CB-CZ 4.47Å; I145-F194 HydrophobicContact CD1-CZ 4.47Å; I145-F194 HydrophobicContact CG1-CE1 4.22Å; I145-F194 HydrophobicContact CG1-CE2 4.27Å; I145-F194 HydrophobicContact CG1-CZ 3.46Å; I145-F194 VanDerWaalsContact CG1-CZ 3.46Å
146	L	56.4	Low	54.5	Low	66 Å²	66	37.6 Å²	37.6	35%	0.346	20%	0.201	S	C	.	.	H	α-helix	trans	-65.1	-42.7	-178.7	-75.7	161.2	0	0	0	112.3	T30 L142 C143 L148 C149 D150	T30-L146 HydrophobicContact CG2-CD1 3.94Å; T30-L146 HydrophobicContact CG2-CD2 4.42Å; L142-L146 HydrophobicContact CD2-CD1 3.8Å; L142-L146 HydrophobicContact CG-CD1 4.09Å; L142-L146 WeakPolarHBondContact O-CB 3.36Å; L142-L146 WeakPolarHBondContact O-CD1 3.48Å; L142-L146 VanDerWaalsContact O-CG 3.24Å; L142-L146 WeakPolarHBondContact O-CG 3.37Å; L142-L146 PolarHBondContact O-N 2.96Å; C143-L146 PolarHBondContact O-N 3.19Å; L146-L148 PolarHBondContact O-N 2.88Å; L146-C149 PolarHBondContact O-N 3.3Å; L146-D150 WeakPolarHBondContact O-CB 3.38Å; L146-D150 PolarHBondContact O-N 2.91Å
147	L	60.2	Low	54.7	Low	3 Å²	3	37.5 Å²	37.5	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-33.6	171.4	-75.3	170.1	0	0	0	111.7	I117 Y118 L121 C143 A144 F151 L204 R208	I117-L147 HydrophobicContact CG2-CD1 4.16Å; I117-L147 HydrophobicContact CG2-CD2 4.05Å; I117-L147 HydrophobicContact CG2-CG 4.24Å; Y118-L147 HydrophobicContact CD1-CD1 4.27Å; Y118-L147 HydrophobicContact CE1-CD1 3.75Å; L121-L147 HydrophobicContact CD1-CD1 3.32Å; L121-L147 HydrophobicContact CD1-CG 4.46Å; C143-L147 WeakPolarHBondContact O-CB 3.2Å; C143-L147 WeakPolarHBondContact O-CG 3.45Å; C143-L147 PolarHBondContact O-N 3.36Å; A144-L147 PolarHBondContact O-N 3.09Å; L147-F151 WeakPolarHBondContact O-CB 3.23Å; L147-F151 PolarHBondContact O-N 3.15Å; L147-L204 HydrophobicContact CB-CD2 4.47Å; L147-L204 HydrophobicContact CD1-CD2 4.03Å; L147-R208 VanDerWaalsContact CD2-NH1 3.29Å
148	L	56.9	Low	54.9	Low	14 Å²	14	34.7 Å²	34.7	7%	0.073	19%	0.191	C	C	.	.	H	α-helix	trans	-70.8	-40.3	173.6	-145.9	95.8	0	0	0	111.3	A144 I145 L146 F151 V152 L190 F194 L204	A144-L148 VanDerWaalsContact O-CB 3.29Å; A144-L148 WeakPolarHBondContact O-CB 3.1Å; A144-L148 PolarHBondContact O-N 3.33Å; I145-L148 CarbonylContact O-C 3.6Å; I145-L148 WeakPolarHBondContact O-CA 3.36Å; I145-L148 VanDerWaalsContact O-CB 3.27Å; I145-L148 WeakPolarHBondContact O-CB 3.41Å; I145-L148 PolarHBondContact O-N 3.22Å; I145-L148 VanDerWaalsContact O-N 3.09Å; L146-L148 PolarHBondContact O-N 2.88Å; L148-F151 CarbonylContact O-C 3.6Å; L148-F151 WeakPolarHBondContact O-CB 3.41Å; L148-F151 PolarHBondContact O-N 3.2Å; L148-V152 WeakPolarHBondContact O-CB 3.45Å; L148-V152 WeakPolarHBondContact O-CG2 3.48Å; L148-V152 PolarHBondContact O-N 3.44Å; L148-L190 HydrophobicContact CD1-CB 4.41Å; L148-L190 HydrophobicContact CD1-CD2 3.78Å; L148-F194 HydrophobicContact CB-CE2 4.31Å; L148-F194 HydrophobicContact CD1-CD2 3.63Å; L148-F194 HydrophobicContact CD1-CE2 3.98Å; L148-F194 HydrophobicContact CD2-CD2 3.72Å; L148-F194 HydrophobicContact CD2-CE2 4.01Å; L148-F194 HydrophobicContact CG-CD2 4.19Å; L148-F194 HydrophobicContact CG-CE2 4.33Å; L148-L204 HydrophobicContact CD1-CD1 4.03Å
149	C	54.8	Low	55	Low	63 Å²	63	31 Å²	31	43%	0.426	18%	0.175	S	C	.	.	H	α-helix	trans	-66.2	-44.4	176.7	-74.1	0	0	0	0	109.9	I145 L146 F151 V152 V153	I145-C149 WeakPolarHBondContact O-CB 3.43Å; I145-C149 PolarHBondContact O-N 2.8Å; I145-C149 PolarHBondContact O-SG 2.85Å; L146-C149 PolarHBondContact O-N 3.3Å; C149-F151 VanDerWaalsContact C-N 3.28Å; C149-F151 PolarHBondContact O-N 3.05Å; C149-V152 CarbonylContact O-C 3.58Å; C149-V152 PolarHBondContact O-N 3.2Å; C149-V153 VanDerWaalsContact O-CB 3.32Å; C149-V153 WeakPolarHBondContact O-CB 3.37Å; C149-V153 WeakPolarHBondContact O-CG2 3.41Å; C149-V153 PolarHBondContact O-N 3Å
150	D	58.9	Low	54.9	Low	17 Å²	17	32.5 Å²	32.5	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-42.7	171.6	179.4	54.9	0	0	0	110.4	L33 R37 L146 V153 D154 R208	L33-D150 HydrophobicContact CD2-CB 4.28Å; R37-D150 IonicContact CZ-OD1 2.67Å; R37-D150 IonicContact NE-OD1 2.8Å; R37-D150 PolarHBondContact NE-OD1 3.2Å; R37-D150 IonicContact NH2-OD1 2.81Å; R37-D150 IonicContact NH2-OD2 3.17Å; L146-D150 WeakPolarHBondContact O-CB 3.38Å; L146-D150 PolarHBondContact O-N 2.91Å; D150-V153 PolarHBondContact O-N 3.24Å; D150-D154 PolarHBondContact O-N 2.67Å; D150-R208 IonicContact OD2-CZ 2.93Å; D150-R208 IonicContact OD2-NH1 3.63Å; D150-R208 IonicContact OD2-NH2 2.8Å; D150-R208 PolarHBondContact OD2-NH2 3.06Å
151	F	58.5	Low	54.9	Low	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-46.4	171.9	177.9	-80.3	0	0	0	113.1	L147 L148 C149 V153 D154 L155 L190 R208 V211 K212	L147-F151 WeakPolarHBondContact O-CB 3.23Å; L147-F151 PolarHBondContact O-N 3.15Å; L148-F151 CarbonylContact O-C 3.6Å; L148-F151 WeakPolarHBondContact O-CB 3.41Å; L148-F151 PolarHBondContact O-N 3.2Å; C149-F151 VanDerWaalsContact C-N 3.28Å; C149-F151 PolarHBondContact O-N 3.05Å; F151-V153 PolarHBondContact O-N 3.35Å; F151-D154 WeakPolarHBondContact O-CB 3.24Å; F151-D154 PolarHBondContact O-N 2.83Å; F151-L155 HydrophobicContact CE1-CB 4.01Å; F151-L155 HydrophobicContact CE1-CD1 3.53Å; F151-L155 HydrophobicContact CE1-CD2 4.05Å; F151-L155 HydrophobicContact CE1-CG 4.04Å; F151-L155 HydrophobicContact CE2-CD1 4.42Å; F151-L155 HydrophobicContact CZ-CD1 3.39Å; F151-L155 HydrophobicContact CZ-CG 4.39Å; F151-L155 WeakPolarHBondContact O-CB 3.47Å; F151-L155 PolarHBondContact O-N 3.26Å; F151-L190 HydrophobicContact CD1-CD1 3.06Å; F151-L190 HydrophobicContact CD1-CG 4.48Å; F151-L190 HydrophobicContact CE1-CD1 2.92Å; F151-L190 HydrophobicContact CE1-CG 4.37Å; F151-L190 HydrophobicContact CE2-CD1 4.35Å; F151-L190 HydrophobicContact CG-CD1 3.96Å; F151-L190 HydrophobicContact CZ-CD1 3.64Å; F151-R208 HydrophobicContact CB-CG 4.27Å; F151-R208 HydrophobicContact CD2-CG 3.47Å; F151-R208 VanDerWaalsContact CD2-CG 3.47Å; F151-R208 HydrophobicContact CE2-CG 4.22Å; F151-R208 HydrophobicContact CG-CG 4.13Å; F151-V211 HydrophobicContact CE1-CB 4.43Å; F151-V211 HydrophobicContact CE1-CG1 3.87Å; F151-V211 HydrophobicContact CE2-CB 4.02Å; F151-V211 HydrophobicContact CE2-CG1 4.18Å; F151-V211 HydrophobicContact CZ-CB 3.61Å; F151-V211 HydrophobicContact CZ-CG1 3.28Å; F151-K212 HydrophobicContact CD2-CG 3.82Å; F151-K212 HydrophobicContact CE2-CB 4.28Å; F151-K212 HydrophobicContact CE2-CG 3.39Å
152	V	53.8	Low	54.9	Low	37 Å²	37	35.6 Å²	35.6	22%	0.224	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-35.6	179.7	166.3	0	0	0	0	109.2	L148 C149 L155 F156	L148-V152 WeakPolarHBondContact O-CB 3.45Å; L148-V152 WeakPolarHBondContact O-CG2 3.48Å; L148-V152 PolarHBondContact O-N 3.44Å; C149-V152 CarbonylContact O-C 3.58Å; C149-V152 PolarHBondContact O-N 3.2Å; V152-L155 PolarHBondContact O-N 3.43Å; V152-F156 HydrophobicContact CB-CD2 4.48Å; V152-F156 HydrophobicContact CG1-CD2 3.53Å; V152-F156 HydrophobicContact CG1-CE2 3.9Å; V152-F156 VanDerWaalsContact O-CB 3.26Å; V152-F156 WeakPolarHBondContact O-CB 3.21Å; V152-F156 VanDerWaalsContact O-CD2 3.29Å; V152-F156 WeakPolarHBondContact O-CD2 3.47Å; V152-F156 PolarHBondContact O-N 2.79Å
153	V	54.7	Low	54.8	Low	68 Å²	68	33.5 Å²	33.5	41%	0.412	18%	0.18	S	C	.	.	H	α-helix	trans	-68.3	-44	173.1	170.1	0	0	0	0	110.7	C149 D150 F151 L155 F156 V157	C149-V153 VanDerWaalsContact O-CB 3.32Å; C149-V153 WeakPolarHBondContact O-CB 3.37Å; C149-V153 WeakPolarHBondContact O-CG2 3.41Å; C149-V153 PolarHBondContact O-N 3Å; D150-V153 PolarHBondContact O-N 3.24Å; F151-V153 PolarHBondContact O-N 3.35Å; V153-L155 PolarHBondContact O-N 3.33Å; V153-F156 PolarHBondContact O-N 3.33Å; V153-V157 HydrophobicContact CG1-CB 4.17Å; V153-V157 HydrophobicContact CG1-CG2 3.93Å; V153-V157 WeakPolarHBondContact O-CA 3.36Å; V153-V157 VanDerWaalsContact O-CB 3.26Å; V153-V157 WeakPolarHBondContact O-CB 3.45Å; V153-V157 PolarHBondContact O-N 2.9Å
154	D	57.5	Low	54.6	Low	15 Å²	15	36.3 Å²	36.3	8%	0.08	20%	0.196	C	C	.	.	I	π-helix	trans	-54.8	-44.6	171.5	-69.4	-19	0	0	0	110.7	R37 D150 F151 H158 H159 R208 K212	R37-D154 IonicContact CZ-OD1 2.87Å; R37-D154 IonicContact CZ-OD2 3.63Å; R37-D154 IonicContact NE-OD1 3Å; R37-D154 PolarHBondContact NE-OD1 2.8Å; R37-D154 IonicContact NH1-OD1 3.9Å; R37-D154 IonicContact NH2-OD1 3.49Å; R37-D154 PolarHBondContact NH2-OD1 3.24Å; R37-D154 IonicContact NH2-OD2 3.74Å; R37-D154 PolarHBondContact NH2-OD2 3.35Å; D150-D154 PolarHBondContact O-N 2.67Å; F151-D154 WeakPolarHBondContact O-CB 3.24Å; F151-D154 PolarHBondContact O-N 2.83Å; D154-H158 WeakPolarHBondContact O-CB 3.35Å; D154-H159 PolarHBondContact O-ND1 3.48Å; D154-R208 IonicContact OD2-NH2 3.61Å; D154-K212 WeakPolarHBondContact OD2-CE 3.49Å; D154-K212 IonicContact OD2-NZ 3.75Å; D154-K212 PolarHBondContact OD2-NZ 3.12Å
155	L	54.4	Low	54.5	Low	4 Å²	4	40.3 Å²	40.3	2%	0.021	22%	0.217	C	C	.	.	I	π-helix	trans	-69.5	-53.6	-178.2	-148.5	82	0	0	0	111.4	F151 V152 V153 H159 L183 A187 V215	F151-L155 HydrophobicContact CE1-CB 4.01Å; F151-L155 HydrophobicContact CE1-CD1 3.53Å; F151-L155 HydrophobicContact CE1-CD2 4.05Å; F151-L155 HydrophobicContact CE1-CG 4.04Å; F151-L155 HydrophobicContact CE2-CD1 4.42Å; F151-L155 HydrophobicContact CZ-CD1 3.39Å; F151-L155 HydrophobicContact CZ-CG 4.39Å; F151-L155 WeakPolarHBondContact O-CB 3.47Å; F151-L155 PolarHBondContact O-N 3.26Å; V152-L155 PolarHBondContact O-N 3.43Å; V153-L155 PolarHBondContact O-N 3.33Å; L155-H159 WeakPolarHBondContact O-CB 3.48Å; L155-L183 HydrophobicContact CD1-CD2 4.12Å; L155-L183 HydrophobicContact CD2-CB 4.23Å; L155-L183 HydrophobicContact CD2-CD2 4.22Å; L155-L183 WeakPolarHBondContact CD2-O 3.45Å; L155-L183 HydrophobicContact CG-CD2 3.64Å; L155-A187 HydrophobicContact CD2-CB 4.22Å; L155-V215 HydrophobicContact CD1-CB 4.12Å; L155-V215 HydrophobicContact CD1-CG1 4.13Å; L155-V215 HydrophobicContact CD1-CG2 3.29Å; L155-V215 HydrophobicContact CG-CG2 4.43Å
156	F	52.9	Low	54.3	Low	66 Å²	66	37.2 Å²	37.2	29%	0.289	20%	0.202	S	C	.	.	I	π-helix	trans	-84.2	-43.3	-171.3	-83	-91.3	0	0	0	112.3	V152 V153 N160 F184 A187	V152-F156 HydrophobicContact CB-CD2 4.48Å; V152-F156 HydrophobicContact CG1-CD2 3.53Å; V152-F156 HydrophobicContact CG1-CE2 3.9Å; V152-F156 VanDerWaalsContact O-CB 3.26Å; V152-F156 WeakPolarHBondContact O-CB 3.21Å; V152-F156 VanDerWaalsContact O-CD2 3.29Å; V152-F156 WeakPolarHBondContact O-CD2 3.47Å; V152-F156 PolarHBondContact O-N 2.79Å; V153-F156 PolarHBondContact O-N 3.33Å; F156-N160 WeakPolarHBondContact O-CB 3.5Å; F156-N160 VanDerWaalsContact O-CG 3.27Å; F156-N160 PolarHBondContact O-N 2.75Å; F156-N160 PolarHBondContact O-ND2 3.11Å; F156-F184 HydrophobicContact CE1-CE1 4.27Å; F156-F184 HydrophobicContact CE1-CZ 4.48Å; F156-F184 HydrophobicContact CZ-CE1 4.35Å; F156-A187 HydrophobicContact CE2-CB 3.85Å; F156-A187 HydrophobicContact CZ-CB 4.23Å
157	V	51.6	Low	54.1	Low	53 Å²	53	36.3 Å²	36.3	32%	0.321	20%	0.198	S	C	.	.	I	π-helix	trans	-80.7	-53.2	-172.3	179.4	0	0	0	0	110.3	Y41 V153 I161	Y41-V157 HydrophobicContact CD2-CG1 4.27Å; Y41-V157 HydrophobicContact CE2-CG1 3.71Å; V153-V157 HydrophobicContact CG1-CB 4.17Å; V153-V157 HydrophobicContact CG1-CG2 3.93Å; V153-V157 WeakPolarHBondContact O-CA 3.36Å; V153-V157 VanDerWaalsContact O-CB 3.26Å; V153-V157 WeakPolarHBondContact O-CB 3.45Å; V153-V157 PolarHBondContact O-N 2.9Å; V157-I161 HydrophobicContact CG1-CD1 3.82Å; V157-I161 WeakPolarHBondContact O-CB 3.45Å; V157-I161 VanDerWaalsContact O-CD1 3.26Å; V157-I161 WeakPolarHBondContact O-CD1 3.4Å; V157-I161 WeakPolarHBondContact O-CG1 3.29Å; V157-I161 PolarHBondContact O-N 2.92Å; V157-I161 VanDerWaalsContact O-N 3.15Å
158	H	53.2	Low	53.8	Low	28 Å²	28	44.2 Å²	44.2	13%	0.13	23%	0.232	C	C	.	.	I	π-helix	trans	-69.8	-40.8	-177.5	-80.9	28	0	0	0	112.6	Y41 C47 D154 R162	Y41-H158 AromaticContact CD2-CE1 3.86Å; C47-H158 PolarHBondContact SG-CD2 3.27Å; D154-H158 WeakPolarHBondContact O-CB 3.35Å; H158-R162 PolarHBondContact O-N 2.75Å
159	H	53.6	Low	53.7	Low	20 Å²	20	51.7 Å²	51.7	9%	0.093	26%	0.264	C	S	.	.	H	α-helix	trans	-78.1	-38.9	-178.2	-61.1	53	0	0	0	112.3	D154 L155 I161 R162 L163 L183 V215 E219	D154-H159 PolarHBondContact O-ND1 3.48Å; L155-H159 WeakPolarHBondContact O-CB 3.48Å; H159-I161 VanDerWaalsContact C-N 3.32Å; H159-I161 PolarHBondContact O-N 3.44Å; H159-R162 PolarHBondContact O-N 3.3Å; H159-L163 WeakPolarHBondContact O-CB 3.23Å; H159-L163 PolarHBondContact O-N 2.95Å; H159-L183 HydrophobicContact CB-CD1 4.02Å; H159-L183 HydrophobicContact CB-CD2 3.79Å; H159-V215 WeakPolarHBondContact CD2-CG1 3.48Å; H159-V215 WeakPolarHBondContact NE2-CG1 3.18Å; H159-E219 IonicContact CD2-OE1 2.88Å; H159-E219 PolarHBondContact CD2-OE1 3.37Å; H159-E219 IonicContact CD2-OE2 3.93Å; H159-E219 IonicContact CG-OE1 3.58Å; H159-E219 VanDerWaalsContact NE2-CD 3.29Å; H159-E219 IonicContact NE2-OE1 3.32Å; H159-E219 PolarHBondContact NE2-OE1 3.32Å; H159-E219 IonicContact NE2-OE2 3.57Å
160	N	50.1	Low	53.9	Low	51 Å²	51	51.7 Å²	51.7	27%	0.273	26%	0.263	S	S	.	.	H	α-helix	trans	-66.5	-34.7	175.2	-71.5	-56.8	0	0	0	111.7	F156 L163 V164	F156-N160 WeakPolarHBondContact O-CB 3.5Å; F156-N160 VanDerWaalsContact O-CG 3.27Å; F156-N160 PolarHBondContact O-N 2.75Å; F156-N160 PolarHBondContact O-ND2 3.11Å; N160-L163 PolarHBondContact O-N 2.81Å; N160-V164 VanDerWaalsContact O-CB 3.23Å; N160-V164 WeakPolarHBondContact O-CB 3.45Å; N160-V164 WeakPolarHBondContact O-CG2 3.26Å; N160-V164 PolarHBondContact O-N 3.19Å
161	I	51.6	Low	53.9	Low	58 Å²	58	55.9 Å²	55.9	30%	0.297	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-45.8	175	-71.2	167.4	0	0	0	110.5	Y41 V157 H159 L163 L165	Y41-I161 HydrophobicContact CE2-CD1 3.4Å; Y41-I161 VanDerWaalsContact CE2-CD1 3.4Å; Y41-I161 WeakPolarHBondContact OH-CD1 3.27Å; V157-I161 HydrophobicContact CG1-CD1 3.82Å; V157-I161 WeakPolarHBondContact O-CB 3.45Å; V157-I161 VanDerWaalsContact O-CD1 3.26Å; V157-I161 WeakPolarHBondContact O-CD1 3.4Å; V157-I161 WeakPolarHBondContact O-CG1 3.29Å; V157-I161 PolarHBondContact O-N 2.92Å; V157-I161 VanDerWaalsContact O-N 3.15Å; H159-I161 VanDerWaalsContact C-N 3.32Å; H159-I161 PolarHBondContact O-N 3.44Å; I161-L163 PolarHBondContact O-N 3.47Å; I161-L165 HydrophobicContact CG2-CD1 3.78Å; I161-L165 HydrophobicContact CG2-CG 4.43Å; I161-L165 VanDerWaalsContact O-CB 3.29Å; I161-L165 WeakPolarHBondContact O-CB 3.46Å; I161-L165 VanDerWaalsContact O-CG 3.22Å; I161-L165 WeakPolarHBondContact O-CG 3.14Å; I161-L165 PolarHBondContact O-N 2.86Å
162	R	53.5	Low	53.9	Low	47 Å²	47	60.6 Å²	60.6	18%	0.177	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-42.8	173.8	-81.7	-179.9	166.8	-162.5	-12.8	112.6	H158 H159 L165 A166 E219	H158-R162 PolarHBondContact O-N 2.75Å; H159-R162 PolarHBondContact O-N 3.3Å; R162-L165 PolarHBondContact O-N 3.09Å; R162-A166 WeakPolarHBondContact O-CB 3.38Å; R162-A166 PolarHBondContact O-N 3.47Å; R162-E219 IonicContact NH1-OE1 3.52Å; R162-E219 IonicContact NH1-OE2 3.73Å
163	L	51.5	Low	53.9	Low	5 Å²	5	67.6 Å²	67.6	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-69.5	-40.4	-177.8	-163.1	75.2	0	0	0	111.5	H159 N160 I161 L167 F176 V179 Y222	H159-L163 WeakPolarHBondContact O-CB 3.23Å; H159-L163 PolarHBondContact O-N 2.95Å; N160-L163 PolarHBondContact O-N 2.81Å; I161-L163 PolarHBondContact O-N 3.47Å; L163-L167 WeakPolarHBondContact O-CB 3.44Å; L163-L167 PolarHBondContact O-N 2.95Å; L163-F176 HydrophobicContact CB-CE2 4.49Å; L163-F176 HydrophobicContact CD1-CD2 4.32Å; L163-F176 HydrophobicContact CD2-CD2 3.23Å; L163-F176 HydrophobicContact CD2-CE2 3.27Å; L163-F176 HydrophobicContact CD2-CG 3.95Å; L163-F176 HydrophobicContact CD2-CZ 4.03Å; L163-F176 HydrophobicContact CG-CD2 3.42Å; L163-F176 VanDerWaalsContact CG-CD2 3.42Å; L163-F176 HydrophobicContact CG-CE2 3.72Å; L163-F176 HydrophobicContact CG-CG 4.36Å; L163-V179 HydrophobicContact CD1-CB 3.56Å; L163-V179 HydrophobicContact CD1-CG1 3.69Å; L163-V179 HydrophobicContact CD1-CG2 3.76Å; L163-V179 HydrophobicContact CD2-CB 4.08Å; L163-V179 HydrophobicContact CD2-CG1 4.11Å; L163-V179 HydrophobicContact CG-CB 4.49Å; L163-V179 HydrophobicContact CG-CG1 4.46Å; L163-Y222 HydrophobicContact CD1-CE2 4.2Å
164	V	52.2	Low	54.1	Low	66 Å²	66	69.1 Å²	69.1	40%	0.4	35%	0.349	S	S	.	.	H	α-helix	trans	-65.1	-46.9	173.3	169.5	0	0	0	0	110.1	N160 L167 F168	N160-V164 VanDerWaalsContact O-CB 3.23Å; N160-V164 WeakPolarHBondContact O-CB 3.45Å; N160-V164 WeakPolarHBondContact O-CG2 3.26Å; N160-V164 PolarHBondContact O-N 3.19Å; V164-L167 PolarHBondContact O-N 3.33Å; V164-F168 HydrophobicContact CG1-CD2 3.88Å; V164-F168 HydrophobicContact CG1-CE2 3.86Å; V164-F168 VanDerWaalsContact O-CD2 3.28Å; V164-F168 WeakPolarHBondContact O-CD2 3.25Å; V164-F168 PolarHBondContact O-N 2.8Å
165	L	53.2	Low	53.8	Low	89 Å²	89	69.4 Å²	69.4	47%	0.466	35%	0.352	S	S	.	.	H	α-helix	trans	-60.2	-47.8	175.2	-74.9	168.6	0	0	0	111.3	I161 R162 L167 F168 F169	I161-L165 HydrophobicContact CG2-CD1 3.78Å; I161-L165 HydrophobicContact CG2-CG 4.43Å; I161-L165 VanDerWaalsContact O-CB 3.29Å; I161-L165 WeakPolarHBondContact O-CB 3.46Å; I161-L165 VanDerWaalsContact O-CG 3.22Å; I161-L165 WeakPolarHBondContact O-CG 3.14Å; I161-L165 PolarHBondContact O-N 2.86Å; R162-L165 PolarHBondContact O-N 3.09Å; L165-L167 VanDerWaalsContact C-N 3.34Å; L165-L167 PolarHBondContact O-N 2.97Å; L165-F168 WeakPolarHBondContact O-CB 3.44Å; L165-F168 PolarHBondContact O-N 2.67Å; L165-F169 WeakPolarHBondContact O-CD2 3.3Å; L165-F169 PolarHBondContact O-N 2.95Å; L165-F169 VanDerWaalsContact O-N 3.15Å
166	A	50.7	Low	53.9	Low	10 Å²	10	71.6 Å²	71.6	8%	0.083	36%	0.362	C	S	.	.	H	α-helix	trans	-60.2	-43.1	176.9	0	0	0	0	0	111.3	R162 F168 F169 T170 Y222 F223	R162-A166 WeakPolarHBondContact O-CB 3.38Å; R162-A166 PolarHBondContact O-N 3.47Å; A166-F168 VanDerWaalsContact C-N 3.33Å; A166-F168 PolarHBondContact O-N 3.39Å; A166-F169 CarbonylContact O-C 3.44Å; A166-F169 PolarHBondContact O-N 3.38Å; A166-T170 PolarHBondContact O-N 2.9Å; A166-T170 PolarHBondContact O-OG1 3.24Å; A166-Y222 HydrophobicContact CB-CE1 4.08Å; A166-F223 HydrophobicContact CB-CE1 4Å; A166-F223 HydrophobicContact CB-CZ 4.09Å
167	L	52.4	Low	54.3	Low	48 Å²	48	73.6 Å²	73.6	25%	0.251	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-37.7	176.9	-168.7	143.3	0	0	0	112.5	L163 V164 L165 F169 S171 F176	L163-L167 WeakPolarHBondContact O-CB 3.44Å; L163-L167 PolarHBondContact O-N 2.95Å; V164-L167 PolarHBondContact O-N 3.33Å; L165-L167 VanDerWaalsContact C-N 3.34Å; L165-L167 PolarHBondContact O-N 2.97Å; L167-F169 PolarHBondContact O-N 3.01Å; L167-S171 PolarHBondContact O-N 3.43Å; L167-F176 HydrophobicContact CB-CD2 4.4Å; L167-F176 HydrophobicContact CD1-CB 3.71Å; L167-F176 HydrophobicContact CD1-CD1 4.26Å; L167-F176 HydrophobicContact CD1-CD2 3.18Å; L167-F176 HydrophobicContact CD1-CE2 3.85Å; L167-F176 HydrophobicContact CD1-CG 3.46Å; L167-F176 VanDerWaalsContact CD1-CG 3.46Å; L167-F176 HydrophobicContact CG-CD2 4.41Å
168	F	53.8	Low	54.5	Low	168 Å²	168	76.1 Å²	76.1	74%	0.737	39%	0.385	S	S	*	.	H	α-helix	trans	-62.2	-30.9	170.9	-92	-73.7	0	0	0	112.7	V164 L165 A166	V164-F168 HydrophobicContact CG1-CD2 3.88Å; V164-F168 HydrophobicContact CG1-CE2 3.86Å; V164-F168 VanDerWaalsContact O-CD2 3.28Å; V164-F168 WeakPolarHBondContact O-CD2 3.25Å; V164-F168 PolarHBondContact O-N 2.8Å; L165-F168 WeakPolarHBondContact O-CB 3.44Å; L165-F168 PolarHBondContact O-N 2.67Å; A166-F168 VanDerWaalsContact C-N 3.33Å; A166-F168 PolarHBondContact O-N 3.39Å
169	F	54.8	Low	54.5	Low	171 Å²	171	75.2 Å²	75.2	75%	0.75	38%	0.381	S	S	*	.	H	α-helix	trans	-97.5	-31.6	-175.7	-72.6	-63.6	0	0	0	115.4	L165 A166 L167	L165-F169 WeakPolarHBondContact O-CD2 3.3Å; L165-F169 PolarHBondContact O-N 2.95Å; L165-F169 VanDerWaalsContact O-N 3.15Å; A166-F169 CarbonylContact O-C 3.44Å; A166-F169 PolarHBondContact O-N 3.38Å; L167-F169 PolarHBondContact O-N 3.01Å
170	T	58.6	Low	54.9	Low	64 Å²	64	75 Å²	75	39%	0.393	38%	0.382	S	S	.	.	H	α-helix	trans	-112	-9.9	-169.8	63	0	0	0	0	114.9	A166 E172	A166-T170 PolarHBondContact O-N 2.9Å; A166-T170 PolarHBondContact O-OG1 3.24Å; T170-E172 PolarHBondContact O-N 3.24Å; T170-E172 VanDerWaalsContact O-N 3.09Å
171	S	59.3	Low	55.4	Low	104 Å²	104	77.5 Å²	77.5	73%	0.727	39%	0.394	S	S	*	.			trans	57.8	16.3	177.7	67.5	0	0	0	0	116.3	L167 W173	L167-S171 PolarHBondContact O-N 3.43Å; S171-W173 PolarHBondContact O-N 3.42Å
172	E	57.8	Low	55.6	Low	101 Å²	101	76.9 Å²	76.9	47%	0.472	40%	0.395	S	S	.	.			trans	-91.4	90.2	-178.2	-61.4	-173.8	177.1	0	0	113	T170 S175	T170-E172 PolarHBondContact O-N 3.24Å; T170-E172 VanDerWaalsContact O-N 3.09Å; E172-S175 WeakPolarHBondContact CB-OG 3.37Å; E172-S175 PolarHBondContact O-OG 3Å; E172-S175 VanDerWaalsContact O-OG 3.06Å; E172-S175 PolarHBondContact OE2-OG 2.82Å
173	W	55.5	Low	55.8	Low	184 Å²	184	74.8 Å²	74.8	70%	0.697	39%	0.387	S	S	*	.	H	α-helix	trans	-60.9	-44.8	175.4	-90.9	77.9	0	0	0	116.5	S171 S175 F176 M177	S171-W173 PolarHBondContact O-N 3.42Å; W173-S175 VanDerWaalsContact C-N 3.3Å; W173-S175 PolarHBondContact O-N 3.49Å; W173-F176 WeakPolarHBondContact O-CB 3.19Å; W173-F176 PolarHBondContact O-N 3.28Å; W173-M177 PolarHBondContact O-N 3.34Å
174	P	57.2	Low	56.3	Low	100 Å²	100	81 Å²	81	65%	0.649	41%	0.414	S	S	*	.	H	α-helix	trans	-68.4	-29.9	-174.5	23	-30.8	0	0	0	112.8	N178	P174-N178 PolarHBondContact O-N 3.08Å
175	S	51.2	Low	56.6	Low	21 Å²	21	80.5 Å²	80.5	15%	0.147	42%	0.417	C	S	.	.	H	α-helix	trans	-75.7	-31.9	178.9	57.3	0	0	0	0	111.6	E172 W173 M177 N178 V179 Y222	E172-S175 WeakPolarHBondContact CB-OG 3.37Å; E172-S175 PolarHBondContact O-OG 3Å; E172-S175 VanDerWaalsContact O-OG 3.06Å; E172-S175 PolarHBondContact OE2-OG 2.82Å; W173-S175 VanDerWaalsContact C-N 3.3Å; W173-S175 PolarHBondContact O-N 3.49Å; S175-M177 PolarHBondContact O-N 2.65Å; S175-N178 PolarHBondContact O-N 3.16Å; S175-V179 PolarHBondContact O-N 3.19Å; S175-V179 VanDerWaalsContact O-N 3.15Å; S175-Y222 WeakPolarHBondContact OG-CE2 3.15Å
176	F	56.8	Low	56.7	Low	50 Å²	50	76.6 Å²	76.6	22%	0.219	40%	0.398	C	S	.	.	H	α-helix	trans	-58.4	-43.4	170.7	176.4	-88	0	0	0	113.1	L163 L167 W173 N178 V179 S180	L163-F176 HydrophobicContact CB-CE2 4.49Å; L163-F176 HydrophobicContact CD1-CD2 4.32Å; L163-F176 HydrophobicContact CD2-CD2 3.23Å; L163-F176 HydrophobicContact CD2-CE2 3.27Å; L163-F176 HydrophobicContact CD2-CG 3.95Å; L163-F176 HydrophobicContact CD2-CZ 4.03Å; L163-F176 HydrophobicContact CG-CD2 3.42Å; L163-F176 VanDerWaalsContact CG-CD2 3.42Å; L163-F176 HydrophobicContact CG-CE2 3.72Å; L163-F176 HydrophobicContact CG-CG 4.36Å; L167-F176 HydrophobicContact CB-CD2 4.4Å; L167-F176 HydrophobicContact CD1-CB 3.71Å; L167-F176 HydrophobicContact CD1-CD1 4.26Å; L167-F176 HydrophobicContact CD1-CD2 3.18Å; L167-F176 HydrophobicContact CD1-CE2 3.85Å; L167-F176 HydrophobicContact CD1-CG 3.46Å; L167-F176 VanDerWaalsContact CD1-CG 3.46Å; L167-F176 HydrophobicContact CG-CD2 4.41Å; W173-F176 WeakPolarHBondContact O-CB 3.19Å; W173-F176 PolarHBondContact O-N 3.28Å; F176-N178 VanDerWaalsContact C-N 3.33Å; F176-N178 PolarHBondContact O-N 2.91Å; F176-V179 PolarHBondContact O-N 3.19Å; F176-S180 WeakPolarHBondContact CE1-OG 3.21Å; F176-S180 WeakPolarHBondContact O-CB 3.47Å; F176-S180 PolarHBondContact O-N 2.95Å; F176-S180 PolarHBondContact O-OG 3Å
177	M	61.6	Low	57.1	Low	107 Å²	107	76.4 Å²	76.4	53%	0.527	40%	0.397	S	S	.	.	H	α-helix	trans	-61.6	-42.8	178.1	-69.6	-70.1	-97.3	0	0	110.9	W173 S175 S180 I181	W173-M177 PolarHBondContact O-N 3.34Å; S175-M177 PolarHBondContact O-N 2.65Å; M177-S180 PolarHBondContact O-N 3.03Å; M177-I181 WeakPolarHBondContact O-CB 3.34Å; M177-I181 WeakPolarHBondContact O-CD1 3.44Å; M177-I181 WeakPolarHBondContact O-CG1 3.24Å; M177-I181 PolarHBondContact O-N 3.42Å
178	N	55.2	Low	57.4	Low	106 Å²	106	76.7 Å²	76.7	57%	0.567	41%	0.406	S	S	*	.	H	α-helix	trans	-63.1	-44.6	178.8	-71.1	-18.4	0	0	0	112.5	P174 S175 F176 I181 C182	P174-N178 PolarHBondContact O-N 3.08Å; S175-N178 PolarHBondContact O-N 3.16Å; F176-N178 VanDerWaalsContact C-N 3.33Å; F176-N178 PolarHBondContact O-N 2.91Å; N178-I181 PolarHBondContact O-N 2.83Å; N178-C182 PolarHBondContact O-N 3.22Å; N178-C182 PolarHBondContact O-SG 3.46Å; N178-C182 VanDerWaalsContact O-SG 3.39Å
179	V	54.5	Low	57.7	Low	9 Å²	9	72.5 Å²	72.5	6%	0.055	39%	0.387	C	S	.	.	H	α-helix	trans	-65.5	-45.7	177.4	179.8	0	0	0	0	110.7	L163 S175 F176 I181 C182 L183 Y222	L163-V179 HydrophobicContact CD1-CB 3.56Å; L163-V179 HydrophobicContact CD1-CG1 3.69Å; L163-V179 HydrophobicContact CD1-CG2 3.76Å; L163-V179 HydrophobicContact CD2-CB 4.08Å; L163-V179 HydrophobicContact CD2-CG1 4.11Å; L163-V179 HydrophobicContact CG-CB 4.49Å; L163-V179 HydrophobicContact CG-CG1 4.46Å; S175-V179 PolarHBondContact O-N 3.19Å; S175-V179 VanDerWaalsContact O-N 3.15Å; F176-V179 PolarHBondContact O-N 3.19Å; V179-I181 VanDerWaalsContact C-N 3.31Å; V179-I181 PolarHBondContact O-N 3.35Å; V179-C182 WeakPolarHBondContact O-CB 3.45Å; V179-C182 PolarHBondContact O-N 2.74Å; V179-C182 VanDerWaalsContact O-N 3.09Å; V179-L183 HydrophobicContact CG1-CD1 4.1Å; V179-L183 HydrophobicContact CG1-CG 4.25Å; V179-L183 VanDerWaalsContact O-CG 3.32Å; V179-L183 WeakPolarHBondContact O-CG 3.22Å; V179-L183 PolarHBondContact O-N 3.21Å; V179-Y222 HydrophobicContact CG2-CD2 3.42Å; V179-Y222 VanDerWaalsContact CG2-CD2 3.42Å; V179-Y222 HydrophobicContact CG2-CE2 4.06Å; V179-Y222 HydrophobicContact CG2-CG 3.82Å
180	S	60.6	Low	57.9	Low	15 Å²	15	64.4 Å²	64.4	11%	0.105	35%	0.352	C	S	.	.	H	α-helix	trans	-57	-45.6	176.7	-60.9	0	0	0	0	111.5	F176 M177 C182 L183 F184	F176-S180 WeakPolarHBondContact CE1-OG 3.21Å; F176-S180 WeakPolarHBondContact O-CB 3.47Å; F176-S180 PolarHBondContact O-N 2.95Å; F176-S180 PolarHBondContact O-OG 3Å; M177-S180 PolarHBondContact O-N 3.03Å; S180-C182 VanDerWaalsContact C-N 3.35Å; S180-C182 PolarHBondContact O-N 3.19Å; S180-L183 PolarHBondContact O-N 3.4Å; S180-F184 WeakPolarHBondContact O-CD2 3.38Å; S180-F184 PolarHBondContact O-N 3.23Å
181	I	60.7	Low	58	Low	104 Å²	104	68 Å²	68	53%	0.533	36%	0.362	S	S	.	.	H	α-helix	trans	-60.3	-43.9	175.5	-69.9	163.2	0	0	0	110.8	M177 N178 V179 L183 F184 A185	M177-I181 WeakPolarHBondContact O-CB 3.34Å; M177-I181 WeakPolarHBondContact O-CD1 3.44Å; M177-I181 WeakPolarHBondContact O-CG1 3.24Å; M177-I181 PolarHBondContact O-N 3.42Å; N178-I181 PolarHBondContact O-N 2.83Å; V179-I181 VanDerWaalsContact C-N 3.31Å; V179-I181 PolarHBondContact O-N 3.35Å; I181-L183 VanDerWaalsContact C-N 3.34Å; I181-L183 PolarHBondContact O-N 2.91Å; I181-F184 PolarHBondContact O-N 3.4Å; I181-A185 WeakPolarHBondContact O-CB 3.45Å; I181-A185 PolarHBondContact O-N 2.89Å
182	C	56.2	Low	57.8	Low	45 Å²	45	68 Å²	68	30%	0.304	36%	0.358	S	S	.	.	H	α-helix	trans	-60.9	-41.1	175.4	-75.4	0	0	0	0	112.4	N178 V179 S180 G186 A218	N178-C182 PolarHBondContact O-N 3.22Å; N178-C182 PolarHBondContact O-SG 3.46Å; N178-C182 VanDerWaalsContact O-SG 3.39Å; V179-C182 WeakPolarHBondContact O-CB 3.45Å; V179-C182 PolarHBondContact O-N 2.74Å; V179-C182 VanDerWaalsContact O-N 3.09Å; S180-C182 VanDerWaalsContact C-N 3.35Å; S180-C182 PolarHBondContact O-N 3.19Å; C182-G186 PolarHBondContact O-N 3.48Å; C182-A218 HydrophobicContact CB-CB 3.99Å
183	L	57.8	Low	57.8	Low	4 Å²	4	67.2 Å²	67.2	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-48.1	176.4	-62.4	170.8	0	0	0	110.9	L155 H159 V179 S180 I181 A185 G186 A187 V215	L155-L183 HydrophobicContact CD1-CD2 4.12Å; L155-L183 HydrophobicContact CD2-CB 4.23Å; L155-L183 HydrophobicContact CD2-CD2 4.22Å; L155-L183 WeakPolarHBondContact CD2-O 3.45Å; L155-L183 HydrophobicContact CG-CD2 3.64Å; H159-L183 HydrophobicContact CB-CD1 4.02Å; H159-L183 HydrophobicContact CB-CD2 3.79Å; V179-L183 HydrophobicContact CG1-CD1 4.1Å; V179-L183 HydrophobicContact CG1-CG 4.25Å; V179-L183 VanDerWaalsContact O-CG 3.32Å; V179-L183 WeakPolarHBondContact O-CG 3.22Å; V179-L183 PolarHBondContact O-N 3.21Å; S180-L183 PolarHBondContact O-N 3.4Å; I181-L183 VanDerWaalsContact C-N 3.34Å; I181-L183 PolarHBondContact O-N 2.91Å; L183-A185 PolarHBondContact O-N 2.72Å; L183-G186 PolarHBondContact O-N 3.41Å; L183-A187 WeakPolarHBondContact O-CB 3.26Å; L183-A187 PolarHBondContact O-N 2.97Å; L183-V215 HydrophobicContact CD2-CG1 3.75Å
184	F	61.5	Low	57.9	Low	134 Å²	134	60.2 Å²	60.2	59%	0.588	33%	0.328	S	S	*	.	H	α-helix	trans	-63	-41.8	176.9	-83	-69.1	0	0	0	112.2	F156 S180 I181 A187 A188	F156-F184 HydrophobicContact CE1-CE1 4.27Å; F156-F184 HydrophobicContact CE1-CZ 4.48Å; F156-F184 HydrophobicContact CZ-CE1 4.35Å; S180-F184 WeakPolarHBondContact O-CD2 3.38Å; S180-F184 PolarHBondContact O-N 3.23Å; I181-F184 PolarHBondContact O-N 3.4Å; F184-A187 PolarHBondContact O-N 3.35Å; F184-A188 VanDerWaalsContact O-CB 3.22Å; F184-A188 WeakPolarHBondContact O-CB 3.37Å; F184-A188 PolarHBondContact O-N 3.3Å
185	A	58.2	Low	57.9	Low	56 Å²	56	59.4 Å²	59.4	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-40.8	175.6	0	0	0	0	0	111.4	I181 L183 A188 F189	I181-A185 WeakPolarHBondContact O-CB 3.45Å; I181-A185 PolarHBondContact O-N 2.89Å; L183-A185 PolarHBondContact O-N 2.72Å; A185-A188 PolarHBondContact O-N 2.8Å; A185-F189 VanDerWaalsContact O-CB 3.22Å; A185-F189 WeakPolarHBondContact O-CB 3.44Å; A185-F189 PolarHBondContact O-N 3.22Å
186	G	57.1	Low	58	Low	7 Å²	7	60 Å²	60	7%	0.072	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-43.9	175.3	0	0	0	0	0	112.8	C182 L183 F189 L190	C182-G186 PolarHBondContact O-N 3.48Å; L183-G186 PolarHBondContact O-N 3.41Å; G186-F189 PolarHBondContact O-N 3.23Å; G186-L190 PolarHBondContact O-N 2.97Å
187	A	58.8	Low	57.8	Low	7 Å²	7	57.8 Å²	57.8	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-64.5	-46.1	174.1	0	0	0	0	0	111.8	L155 F156 L183 F184 F189 L190 F191	L155-A187 HydrophobicContact CD2-CB 4.22Å; F156-A187 HydrophobicContact CE2-CB 3.85Å; F156-A187 HydrophobicContact CZ-CB 4.23Å; L183-A187 WeakPolarHBondContact O-CB 3.26Å; L183-A187 PolarHBondContact O-N 2.97Å; F184-A187 PolarHBondContact O-N 3.35Å; A187-F189 VanDerWaalsContact C-N 3.35Å; A187-F189 PolarHBondContact O-N 2.93Å; A187-L190 WeakPolarHBondContact O-CB 3.26Å; A187-L190 PolarHBondContact O-N 3.41Å; A187-F191 VanDerWaalsContact O-CD2 3.29Å; A187-F191 WeakPolarHBondContact O-CD2 3.29Å; A187-F191 PolarHBondContact O-N 3.44Å
188	A	57.9	Low	57.5	Low	53 Å²	53	55.2 Å²	55.2	44%	0.438	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-42.7	176.9	0	0	0	0	0	111.6	F184 A185 L190 F191 V192	F184-A188 VanDerWaalsContact O-CB 3.22Å; F184-A188 WeakPolarHBondContact O-CB 3.37Å; F184-A188 PolarHBondContact O-N 3.3Å; A185-A188 PolarHBondContact O-N 2.8Å; A188-L190 VanDerWaalsContact C-N 3.34Å; A188-L190 PolarHBondContact O-N 3.15Å; A188-F191 PolarHBondContact O-N 2.8Å; A188-V192 VanDerWaalsContact O-CG2 3.28Å; A188-V192 WeakPolarHBondContact O-CG2 3.44Å; A188-V192 PolarHBondContact O-N 3.17Å
189	F	59.9	Low	57.7	Low	80 Å²	80	56 Å²	56	35%	0.351	31%	0.308	S	S	.	.	H	α-helix	trans	-57.2	-48.6	173.3	-176	-90.6	0	0	0	110.4	A185 G186 A187 F191 V192 F193 I207 V211	A185-F189 VanDerWaalsContact O-CB 3.22Å; A185-F189 WeakPolarHBondContact O-CB 3.44Å; A185-F189 PolarHBondContact O-N 3.22Å; G186-F189 PolarHBondContact O-N 3.23Å; A187-F189 VanDerWaalsContact C-N 3.35Å; A187-F189 PolarHBondContact O-N 2.93Å; F189-F191 PolarHBondContact O-N 3.22Å; F189-V192 PolarHBondContact O-N 3.03Å; F189-F193 AromaticContact CD1-CD2 3.78Å; F189-F193 HydrophobicContact CD1-CD2 3.78Å; F189-F193 HydrophobicContact CD1-CE2 4.33Å; F189-F193 AromaticContact CD2-CD2 3.66Å; F189-F193 HydrophobicContact CD2-CD2 3.66Å; F189-F193 AromaticContact CD2-CE2 3.39Å; F189-F193 HydrophobicContact CD2-CE2 3.39Å; F189-F193 AromaticContact CE1-CD2 3.67Å; F189-F193 HydrophobicContact CE1-CD2 3.67Å; F189-F193 HydrophobicContact CE1-CE2 4.08Å; F189-F193 HydrophobicContact CE1-CG 4.34Å; F189-F193 AromaticContact CE2-CD2 3.54Å; F189-F193 HydrophobicContact CE2-CD2 3.54Å; F189-F193 AromaticContact CE2-CE2 3.07Å; F189-F193 HydrophobicContact CE2-CE2 3.07Å; F189-F193 AromaticContact CE2-CZ 3.88Å; F189-F193 HydrophobicContact CE2-CZ 3.88Å; F189-F193 AromaticContact CG-CD2 3.78Å; F189-F193 HydrophobicContact CG-CD2 3.78Å; F189-F193 HydrophobicContact CG-CE2 4.03Å; F189-F193 AromaticContact CZ-CD2 3.53Å; F189-F193 HydrophobicContact CZ-CD2 3.53Å; F189-F193 AromaticContact CZ-CE2 3.45Å; F189-F193 HydrophobicContact CZ-CE2 3.45Å; F189-F193 VanDerWaalsContact CZ-CE2 3.45Å; F189-F193 HydrophobicContact CZ-CG 4.34Å; F189-F193 HydrophobicContact CZ-CZ 4.12Å; F189-F193 VanDerWaalsContact O-CD2 3.22Å; F189-F193 WeakPolarHBondContact O-CD2 3.41Å; F189-F193 PolarHBondContact O-N 2.84Å; F189-I207 HydrophobicContact CD1-CG2 4.28Å; F189-I207 HydrophobicContact CE1-CG2 3.98Å; F189-V211 HydrophobicContact CD1-CG2 3.59Å; F189-V211 HydrophobicContact CE1-CG2 4.03Å
190	L	58.5	Low	58	Low	1 Å²	1	56.7 Å²	56.7	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-44.1	175.9	-81.8	158.8	0	0	0	113.1	L148 F151 G186 A187 A188 V192 F193 F194 I207 V211	L148-L190 HydrophobicContact CD1-CB 4.41Å; L148-L190 HydrophobicContact CD1-CD2 3.78Å; F151-L190 HydrophobicContact CD1-CD1 3.06Å; F151-L190 HydrophobicContact CD1-CG 4.48Å; F151-L190 HydrophobicContact CE1-CD1 2.92Å; F151-L190 HydrophobicContact CE1-CG 4.37Å; F151-L190 HydrophobicContact CE2-CD1 4.35Å; F151-L190 HydrophobicContact CG-CD1 3.96Å; F151-L190 HydrophobicContact CZ-CD1 3.64Å; G186-L190 PolarHBondContact O-N 2.97Å; A187-L190 WeakPolarHBondContact O-CB 3.26Å; A187-L190 PolarHBondContact O-N 3.41Å; A188-L190 VanDerWaalsContact C-N 3.34Å; A188-L190 PolarHBondContact O-N 3.15Å; L190-V192 VanDerWaalsContact C-N 3.35Å; L190-V192 PolarHBondContact O-N 3.02Å; L190-F193 CarbonylContact O-C 3.39Å; L190-F193 PolarHBondContact O-N 2.92Å; L190-F194 WeakPolarHBondContact O-CA 3.28Å; L190-F194 VanDerWaalsContact O-CB 3.25Å; L190-F194 WeakPolarHBondContact O-CB 3.41Å; L190-F194 PolarHBondContact O-N 3.36Å; L190-I207 HydrophobicContact CD2-CG2 3.58Å; L190-I207 HydrophobicContact CG-CG2 4.43Å; L190-V211 HydrophobicContact CD1-CB 4.24Å; L190-V211 HydrophobicContact CD1-CG1 3.96Å; L190-V211 HydrophobicContact CD1-CG2 4.14Å; L190-V211 HydrophobicContact CD2-CG2 4.2Å; L190-V211 HydrophobicContact CG-CB 4.46Å; L190-V211 HydrophobicContact CG-CG1 4.46Å; L190-V211 HydrophobicContact CG-CG2 3.83Å
191	F	60.8	Low	58	Low	139 Å²	139	56.4 Å²	56.4	61%	0.61	31%	0.308	S	S	*	.	H	α-helix	trans	-61.5	-41.9	176.7	-90.5	-73.8	0	0	0	112.3	A187 A188 F189 F194	A187-F191 VanDerWaalsContact O-CD2 3.29Å; A187-F191 WeakPolarHBondContact O-CD2 3.29Å; A187-F191 PolarHBondContact O-N 3.44Å; A188-F191 PolarHBondContact O-N 2.8Å; F189-F191 PolarHBondContact O-N 3.22Å; F191-F194 VanDerWaalsContact O-CB 3.3Å; F191-F194 WeakPolarHBondContact O-CB 3.26Å; F191-F194 PolarHBondContact O-N 2.8Å
192	V	55.7	Low	58	Low	106 Å²	106	52.3 Å²	52.3	64%	0.642	29%	0.287	S	S	*	.	H	α-helix	trans	-67.8	-42.2	179.1	171.6	0	0	0	0	111.3	A188 F189 L190 F194 P195	A188-V192 VanDerWaalsContact O-CG2 3.28Å; A188-V192 WeakPolarHBondContact O-CG2 3.44Å; A188-V192 PolarHBondContact O-N 3.17Å; F189-V192 PolarHBondContact O-N 3.03Å; L190-V192 VanDerWaalsContact C-N 3.35Å; L190-V192 PolarHBondContact O-N 3.02Å; V192-F194 VanDerWaalsContact C-N 3.3Å; V192-P195 WeakPolarHBondContact O-CD 3.44Å
193	F	58.6	Low	58.4	Low	84 Å²	84	55.7 Å²	55.7	37%	0.368	29%	0.294	S	S	.	.	H	α-helix	trans	-85.7	-2.4	179.3	-71.6	-81	0	0	0	113.3	F189 L190 A196 A197 I207	F189-F193 AromaticContact CD1-CD2 3.78Å; F189-F193 HydrophobicContact CD1-CD2 3.78Å; F189-F193 HydrophobicContact CD1-CE2 4.33Å; F189-F193 AromaticContact CD2-CD2 3.66Å; F189-F193 HydrophobicContact CD2-CD2 3.66Å; F189-F193 AromaticContact CD2-CE2 3.39Å; F189-F193 HydrophobicContact CD2-CE2 3.39Å; F189-F193 AromaticContact CE1-CD2 3.67Å; F189-F193 HydrophobicContact CE1-CD2 3.67Å; F189-F193 HydrophobicContact CE1-CE2 4.08Å; F189-F193 HydrophobicContact CE1-CG 4.34Å; F189-F193 AromaticContact CE2-CD2 3.54Å; F189-F193 HydrophobicContact CE2-CD2 3.54Å; F189-F193 AromaticContact CE2-CE2 3.07Å; F189-F193 HydrophobicContact CE2-CE2 3.07Å; F189-F193 AromaticContact CE2-CZ 3.88Å; F189-F193 HydrophobicContact CE2-CZ 3.88Å; F189-F193 AromaticContact CG-CD2 3.78Å; F189-F193 HydrophobicContact CG-CD2 3.78Å; F189-F193 HydrophobicContact CG-CE2 4.03Å; F189-F193 AromaticContact CZ-CD2 3.53Å; F189-F193 HydrophobicContact CZ-CD2 3.53Å; F189-F193 AromaticContact CZ-CE2 3.45Å; F189-F193 HydrophobicContact CZ-CE2 3.45Å; F189-F193 VanDerWaalsContact CZ-CE2 3.45Å; F189-F193 HydrophobicContact CZ-CG 4.34Å; F189-F193 HydrophobicContact CZ-CZ 4.12Å; F189-F193 VanDerWaalsContact O-CD2 3.22Å; F189-F193 WeakPolarHBondContact O-CD2 3.41Å; F189-F193 PolarHBondContact O-N 2.84Å; L190-F193 CarbonylContact O-C 3.39Å; L190-F193 PolarHBondContact O-N 2.92Å; F193-A196 CarbonylContact O-C 3.58Å; F193-A196 PolarHBondContact O-N 3.49Å; F193-A197 VanDerWaalsContact O-CB 3.32Å; F193-A197 WeakPolarHBondContact O-CB 3.35Å; F193-A197 PolarHBondContact O-N 3.26Å; F193-I207 HydrophobicContact CB-CD1 3.77Å; F193-I207 HydrophobicContact CB-CG1 4.43Å; F193-I207 HydrophobicContact CB-CG2 4.31Å
194	F	57.4	Low	58.8	Low	37 Å²	37	55.9 Å²	55.9	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-56.5	-49	-179	-172.6	-107	0	0	0	113.2	I145 L148 L190 F191 V192 A196 A197 I198	I145-F194 HydrophobicContact CB-CZ 4.47Å; I145-F194 HydrophobicContact CD1-CZ 4.47Å; I145-F194 HydrophobicContact CG1-CE1 4.22Å; I145-F194 HydrophobicContact CG1-CE2 4.27Å; I145-F194 HydrophobicContact CG1-CZ 3.46Å; I145-F194 VanDerWaalsContact CG1-CZ 3.46Å; L148-F194 HydrophobicContact CB-CE2 4.31Å; L148-F194 HydrophobicContact CD1-CD2 3.63Å; L148-F194 HydrophobicContact CD1-CE2 3.98Å; L148-F194 HydrophobicContact CD2-CD2 3.72Å; L148-F194 HydrophobicContact CD2-CE2 4.01Å; L148-F194 HydrophobicContact CG-CD2 4.19Å; L148-F194 HydrophobicContact CG-CE2 4.33Å; L190-F194 WeakPolarHBondContact O-CA 3.28Å; L190-F194 VanDerWaalsContact O-CB 3.25Å; L190-F194 WeakPolarHBondContact O-CB 3.41Å; L190-F194 PolarHBondContact O-N 3.36Å; F191-F194 VanDerWaalsContact O-CB 3.3Å; F191-F194 WeakPolarHBondContact O-CB 3.26Å; F191-F194 PolarHBondContact O-N 2.8Å; V192-F194 VanDerWaalsContact C-N 3.3Å; F194-A196 VanDerWaalsContact C-N 3.3Å; F194-A196 PolarHBondContact O-N 2.87Å; F194-A197 WeakPolarHBondContact O-CB 3.34Å; F194-A197 PolarHBondContact O-N 3.38Å; F194-A197 VanDerWaalsContact O-N 3.12Å; F194-I198 HydrophobicContact CD1-CD1 3.66Å; F194-I198 HydrophobicContact CD1-CG1 4.42Å; F194-I198 HydrophobicContact CE1-CD1 3.21Å; F194-I198 HydrophobicContact CE1-CG1 4Å; F194-I198 HydrophobicContact CE2-CD1 4.45Å; F194-I198 HydrophobicContact CE2-CG1 4.39Å; F194-I198 HydrophobicContact CG-CD1 4.43Å; F194-I198 HydrophobicContact CZ-CD1 3.63Å; F194-I198 HydrophobicContact CZ-CG1 3.94Å; F194-I198 WeakPolarHBondContact O-CG1 3.4Å; F194-I198 PolarHBondContact O-N 2.84Å
195	P	56.1	Low	59	Low	82 Å²	82	49.5 Å²	49.5	53%	0.532	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-41.3	178.1	-20	33.8	0	0	0	111.7	V192 A197 I198	V192-P195 WeakPolarHBondContact O-CD 3.44Å; P195-A197 VanDerWaalsContact C-N 3.29Å; P195-A197 PolarHBondContact O-N 3.29Å; P195-I198 PolarHBondContact O-N 3.2Å
196	A	53.2	Low	59.4	Low	35 Å²	35	48 Å²	48	29%	0.289	25%	0.25	S	C	.	.	H	α-helix	trans	-70.6	-24.8	178.7	0	0	0	0	0	113.3	F193 F194 R203	F193-A196 CarbonylContact O-C 3.58Å; F193-A196 PolarHBondContact O-N 3.49Å; F194-A196 VanDerWaalsContact C-N 3.3Å; F194-A196 PolarHBondContact O-N 2.87Å; A196-R203 WeakPolarHBondContact O-CD 3.3Å; A196-R203 PolarHBondContact O-NH1 3Å
197	A	54.4	Low	59.9	Low	2 Å²	2	48.4 Å²	48.4	2%	0.017	25%	0.25	C	S	.	.	H	α-helix	trans	-77.5	-37	177.1	0	0	0	0	0	112.1	F193 F194 P195 E199 H200 L204 I207	F193-A197 VanDerWaalsContact O-CB 3.32Å; F193-A197 WeakPolarHBondContact O-CB 3.35Å; F193-A197 PolarHBondContact O-N 3.26Å; F194-A197 WeakPolarHBondContact O-CB 3.34Å; F194-A197 PolarHBondContact O-N 3.38Å; F194-A197 VanDerWaalsContact O-N 3.12Å; P195-A197 VanDerWaalsContact C-N 3.29Å; P195-A197 PolarHBondContact O-N 3.29Å; A197-E199 PolarHBondContact O-N 3.18Å; A197-H200 CarbonylContact O-C 3.52Å; A197-H200 PolarHBondContact O-N 2.71Å; A197-L204 HydrophobicContact CB-CB 4.01Å; A197-L204 HydrophobicContact CB-CD1 3.76Å; A197-I207 HydrophobicContact CB-CD1 3.81Å
198	I	55.1	Low	60.3	Low	54 Å²	54	48.3 Å²	48.3	28%	0.277	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-33.5	177.3	-66.8	162.3	0	0	0	111.2	A144 F194 P195 H200	A144-I198 HydrophobicContact CB-CG1 4.45Å; F194-I198 HydrophobicContact CD1-CD1 3.66Å; F194-I198 HydrophobicContact CD1-CG1 4.42Å; F194-I198 HydrophobicContact CE1-CD1 3.21Å; F194-I198 HydrophobicContact CE1-CG1 4Å; F194-I198 HydrophobicContact CE2-CD1 4.45Å; F194-I198 HydrophobicContact CE2-CG1 4.39Å; F194-I198 HydrophobicContact CG-CD1 4.43Å; F194-I198 HydrophobicContact CZ-CD1 3.63Å; F194-I198 HydrophobicContact CZ-CG1 3.94Å; F194-I198 WeakPolarHBondContact O-CG1 3.4Å; F194-I198 PolarHBondContact O-N 2.84Å; P195-I198 PolarHBondContact O-N 3.2Å; I198-H200 PolarHBondContact O-N 2.83Å; I198-H200 VanDerWaalsContact O-N 3.14Å
199	E	58.1	Low	60.9	Low	122 Å²	122	46 Å²	46	57%	0.57	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.7	179.4	-66.7	-179.8	-175	0	0	113.3	W125 A197 R203	W125-E199 PolarHBondContact NE1-O 3.12Å; A197-E199 PolarHBondContact O-N 3.18Å; E199-R203 IonicContact OE2-CZ 3.94Å; E199-R203 IonicContact OE2-NH1 3.01Å; E199-R203 PolarHBondContact OE2-NH1 3.38Å
200	H	60.6	Low	61.3	Low	23 Å²	23	43 Å²	43	11%	0.106	22%	0.216	C	C	.	.			trans	-154	124.3	-177.5	-160.7	-50.4	0	0	0	112.6	Y69 W125 A197 I198 L202 R203 L204	Y69-H200 AromaticContact CD2-NE2 3.85Å; Y69-H200 AromaticContact CE2-NE2 3.55Å; W125-H200 AromaticContact CH2-CD2 3.47Å; W125-H200 VanDerWaalsContact CH2-CD2 3.47Å; W125-H200 WeakPolarHBondContact CH2-CD2 3.45Å; W125-H200 AromaticContact CH2-CE1 3.99Å; W125-H200 AromaticContact CH2-NE2 3.29Å; W125-H200 VanDerWaalsContact CH2-NE2 3.29Å; W125-H200 WeakPolarHBondContact CH2-NE2 3.44Å; W125-H200 HydrophobicContact CZ2-CB 4.46Å; W125-H200 AromaticContact CZ2-CD2 3.41Å; W125-H200 VanDerWaalsContact CZ2-CD2 3.41Å; W125-H200 WeakPolarHBondContact CZ2-CD2 3.34Å; W125-H200 AromaticContact CZ2-CG 3.92Å; W125-H200 AromaticContact CZ2-NE2 3.73Å; W125-H200 AromaticContact CZ3-NE2 3.79Å; A197-H200 CarbonylContact O-C 3.52Å; A197-H200 PolarHBondContact O-N 2.71Å; I198-H200 PolarHBondContact O-N 2.83Å; I198-H200 VanDerWaalsContact O-N 3.14Å; H200-L202 VanDerWaalsContact C-N 3.28Å; H200-L202 WeakPolarHBondContact CE1-CD1 3.22Å; H200-L202 VanDerWaalsContact CE1-CG 3.47Å; H200-L202 WeakPolarHBondContact CE1-CG 3.12Å; H200-L202 WeakPolarHBondContact ND1-CB 3.38Å; H200-L202 PolarHBondContact ND1-N 2.74Å; H200-L202 PolarHBondContact O-N 3.4Å; H200-L202 VanDerWaalsContact O-N 3.15Å; H200-R203 HydrophobicContact CB-CB 4.42Å; H200-R203 HydrophobicContact CB-CG 4.07Å; H200-R203 WeakPolarHBondContact O-CB 3.29Å; H200-R203 PolarHBondContact O-N 3.22Å; H200-L204 PolarHBondContact O-N 2.82Å
201	P	60.6	Low	61.7	Low	10 Å²	10	43.1 Å²	43.1	7%	0.065	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-34.4	-177.2	21.2	-33.2	0	0	0	113.6	Y122 W125 R203 L204 L205	Y122-P201 HydrophobicContact CD2-CG 4.33Å; W125-P201 HydrophobicContact CB-CG 3.96Å; W125-P201 VanDerWaalsContact CD1-CD 3.43Å; W125-P201 HydrophobicContact CD2-CG 4.23Å; W125-P201 VanDerWaalsContact CG-CD 3.48Å; W125-P201 HydrophobicContact CG-CG 3.87Å; P201-R203 VanDerWaalsContact C-N 3.32Å; P201-R203 PolarHBondContact O-N 3.4Å; P201-L204 WeakPolarHBondContact O-CB 3.21Å; P201-L204 PolarHBondContact O-N 3.44Å; P201-L205 WeakPolarHBondContact O-CB 3.22Å; P201-L205 PolarHBondContact O-N 3.26Å
202	L	61.9	Low	62.1	Low	18 Å²	18	37.2 Å²	37.2	9%	0.094	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-38.2	170.5	-69.5	176.7	0	0	0	114.3	Y62 L65 Y69 H200 F206	Y62-L202 HydrophobicContact CD2-CD2 4.35Å; L65-L202 HydrophobicContact CB-CD2 3.31Å; L65-L202 HydrophobicContact CB-CG 4.43Å; L65-L202 HydrophobicContact CD1-CD2 4.23Å; L65-L202 HydrophobicContact CG-CD2 4.44Å; Y69-L202 HydrophobicContact CG-CD1 4.24Å; H200-L202 VanDerWaalsContact C-N 3.28Å; H200-L202 WeakPolarHBondContact CE1-CD1 3.22Å; H200-L202 VanDerWaalsContact CE1-CG 3.47Å; H200-L202 WeakPolarHBondContact CE1-CG 3.12Å; H200-L202 WeakPolarHBondContact ND1-CB 3.38Å; H200-L202 PolarHBondContact ND1-N 2.74Å; H200-L202 PolarHBondContact O-N 3.4Å; H200-L202 VanDerWaalsContact O-N 3.15Å; L202-F206 WeakPolarHBondContact O-CB 3.22Å; L202-F206 PolarHBondContact O-N 2.88Å
203	R	64.6	Low	62.7	Low	116 Å²	116	32.6 Å²	32.6	44%	0.438	16%	0.163	S	C	.	.	H	α-helix	trans	-69.4	-43.1	177.6	-70.3	-179.6	-176.7	171.9	4	110.2	A196 E199 H200 P201 L205 F206 I207	A196-R203 WeakPolarHBondContact O-CD 3.3Å; A196-R203 PolarHBondContact O-NH1 3Å; E199-R203 IonicContact OE2-CZ 3.94Å; E199-R203 IonicContact OE2-NH1 3.01Å; E199-R203 PolarHBondContact OE2-NH1 3.38Å; H200-R203 HydrophobicContact CB-CB 4.42Å; H200-R203 HydrophobicContact CB-CG 4.07Å; H200-R203 WeakPolarHBondContact O-CB 3.29Å; H200-R203 PolarHBondContact O-N 3.22Å; P201-R203 VanDerWaalsContact C-N 3.32Å; P201-R203 PolarHBondContact O-N 3.4Å; R203-L205 VanDerWaalsContact C-N 3.32Å; R203-L205 PolarHBondContact O-N 3.11Å; R203-F206 PolarHBondContact O-N 2.91Å; R203-I207 WeakPolarHBondContact O-CB 3.38Å; R203-I207 WeakPolarHBondContact O-CD1 3.32Å; R203-I207 VanDerWaalsContact O-CG1 3.24Å; R203-I207 WeakPolarHBondContact O-CG1 3.47Å; R203-I207 PolarHBondContact O-N 3.02Å
204	L	65.3	Low	63.1	Low	8 Å²	8	31.6 Å²	31.6	4%	0.042	16%	0.164	C	C	.	.	H	α-helix	trans	-55.9	-48.2	173.9	-178.7	70.1	0	0	0	111.3	A144 L147 L148 A197 H200 P201 F206 I207 R208	A144-L204 HydrophobicContact CB-CD2 3.74Å; L147-L204 HydrophobicContact CB-CD2 4.47Å; L147-L204 HydrophobicContact CD1-CD2 4.03Å; L148-L204 HydrophobicContact CD1-CD1 4.03Å; A197-L204 HydrophobicContact CB-CB 4.01Å; A197-L204 HydrophobicContact CB-CD1 3.76Å; H200-L204 PolarHBondContact O-N 2.82Å; P201-L204 WeakPolarHBondContact O-CB 3.21Å; P201-L204 PolarHBondContact O-N 3.44Å; L204-F206 PolarHBondContact O-N 2.72Å; L204-I207 PolarHBondContact O-N 3.35Å; L204-R208 VanDerWaalsContact O-CB 3.27Å; L204-R208 WeakPolarHBondContact O-CB 3.48Å; L204-R208 PolarHBondContact O-N 2.85Å
205	L	67	Low	63.5	Low	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-43.4	179.7	-163.7	157.8	0	0	0	111.3	D58 F61 Y62 L65 Y118 P201 R203 R208 Y209	D58-L205 HydrophobicContact CB-CD2 4.26Å; D58-L205 VanDerWaalsContact O-CD2 3.23Å; D58-L205 WeakPolarHBondContact O-CD2 3.29Å; F61-L205 HydrophobicContact CB-CD1 3.95Å; Y62-L205 HydrophobicContact CD2-CD2 4.12Å; Y62-L205 HydrophobicContact CG-CD2 4.31Å; L65-L205 HydrophobicContact CD1-CD1 3.93Å; Y118-L205 HydrophobicContact CD1-CD1 3.63Å; Y118-L205 HydrophobicContact CD1-CG 4.42Å; Y118-L205 HydrophobicContact CD2-CD1 3.92Å; Y118-L205 HydrophobicContact CE1-CB 4.07Å; Y118-L205 HydrophobicContact CE1-CD1 3.59Å; Y118-L205 HydrophobicContact CE1-CG 3.89Å; Y118-L205 HydrophobicContact CE2-CD1 3.86Å; Y118-L205 HydrophobicContact CE2-CG 4.31Å; Y118-L205 HydrophobicContact CG-CD1 3.82Å; P201-L205 WeakPolarHBondContact O-CB 3.22Å; P201-L205 PolarHBondContact O-N 3.26Å; R203-L205 VanDerWaalsContact C-N 3.32Å; R203-L205 PolarHBondContact O-N 3.11Å; L205-R208 PolarHBondContact O-N 3.27Å; L205-Y209 VanDerWaalsContact O-CB 3.29Å; L205-Y209 WeakPolarHBondContact O-CB 3.47Å; L205-Y209 PolarHBondContact O-N 3.47Å
206	F	66.5	Low	64	Low	24 Å²	24	26.5 Å²	26.5	11%	0.105	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-48.8	175.5	-179.7	-96.8	0	0	0	112.8	Y62 L202 R203 L204 Y209 V210 T239 Y243	Y62-F206 HydrophobicContact CD2-CB 4.33Å; Y62-F206 HydrophobicContact CE2-CB 3.94Å; Y62-F206 HydrophobicContact CE2-CD2 4.19Å; Y62-F206 HydrophobicContact CE2-CG 4.49Å; L202-F206 WeakPolarHBondContact O-CB 3.22Å; L202-F206 PolarHBondContact O-N 2.88Å; R203-F206 PolarHBondContact O-N 2.91Å; L204-F206 PolarHBondContact O-N 2.72Å; F206-Y209 PolarHBondContact O-N 3.49Å; F206-V210 HydrophobicContact CD1-CG2 4.25Å; F206-V210 HydrophobicContact CE1-CG2 3.83Å; F206-V210 HydrophobicContact CE2-CG2 4.29Å; F206-V210 HydrophobicContact CZ-CG2 3.85Å; F206-V210 WeakPolarHBondContact O-CG2 3.28Å; F206-V210 PolarHBondContact O-N 3.12Å; F206-T239 HydrophobicContact CD2-CG2 3.95Å; F206-T239 HydrophobicContact CE2-CG2 3.48Å; F206-T239 VanDerWaalsContact CE2-CG2 3.48Å; F206-T239 HydrophobicContact CZ-CG2 4.44Å; F206-Y243 HydrophobicContact CD1-CD2 4.24Å; F206-Y243 HydrophobicContact CD1-CE2 4.39Å; F206-Y243 HydrophobicContact CD2-CD2 4.2Å; F206-Y243 AromaticContact CE1-CD2 3.86Å; F206-Y243 HydrophobicContact CE1-CD2 3.86Å; F206-Y243 HydrophobicContact CE1-CE2 4.16Å; F206-Y243 HydrophobicContact CE1-CG 4.16Å; F206-Y243 AromaticContact CE2-CD2 3.8Å; F206-Y243 HydrophobicContact CE2-CD2 3.8Å; F206-Y243 AromaticContact CE2-CG 3.94Å; F206-Y243 HydrophobicContact CE2-CG 3.94Å; F206-Y243 HydrophobicContact CG-CD2 4.4Å; F206-Y243 HydrophobicContact CZ-CD1 4.32Å; F206-Y243 AromaticContact CZ-CD2 3.62Å; F206-Y243 HydrophobicContact CZ-CD2 3.62Å; F206-Y243 HydrophobicContact CZ-CE2 4.37Å; F206-Y243 AromaticContact CZ-CG 3.6Å; F206-Y243 HydrophobicContact CZ-CG 3.6Å
207	I	67.1	Low	64.6	Low	16 Å²	16	26 Å²	26	8%	0.082	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-48.5	179	-69.5	159.9	0	0	0	109.8	F189 L190 F193 A197 R203 L204 Y209 V210 V211	F189-I207 HydrophobicContact CD1-CG2 4.28Å; F189-I207 HydrophobicContact CE1-CG2 3.98Å; L190-I207 HydrophobicContact CD2-CG2 3.58Å; L190-I207 HydrophobicContact CG-CG2 4.43Å; F193-I207 HydrophobicContact CB-CD1 3.77Å; F193-I207 HydrophobicContact CB-CG1 4.43Å; F193-I207 HydrophobicContact CB-CG2 4.31Å; A197-I207 HydrophobicContact CB-CD1 3.81Å; R203-I207 WeakPolarHBondContact O-CB 3.38Å; R203-I207 WeakPolarHBondContact O-CD1 3.32Å; R203-I207 VanDerWaalsContact O-CG1 3.24Å; R203-I207 WeakPolarHBondContact O-CG1 3.47Å; R203-I207 PolarHBondContact O-N 3.02Å; L204-I207 PolarHBondContact O-N 3.35Å; I207-Y209 PolarHBondContact O-N 2.81Å; I207-V210 PolarHBondContact O-N 3.47Å; I207-V211 HydrophobicContact CG2-CG2 4.32Å; I207-V211 WeakPolarHBondContact O-CG2 3.34Å; I207-V211 PolarHBondContact O-N 2.89Å
208	R	67.6	Low	65	Low	4 Å²	4	26.5 Å²	26.5	2%	0.015	13%	0.131	C	C	.	.	H	α-helix	trans	-54.2	-45.7	177.8	-170.8	-176.8	-179.1	175.2	1.6	110.9	Y118 L147 D150 F151 D154 L204 L205 V211 K212	Y118-R208 WeakPolarHBondContact OH-CD 3.35Å; Y118-R208 PolarHBondContact OH-NH1 3.33Å; L147-R208 VanDerWaalsContact CD2-NH1 3.29Å; D150-R208 IonicContact OD2-CZ 2.93Å; D150-R208 IonicContact OD2-NH1 3.63Å; D150-R208 IonicContact OD2-NH2 2.8Å; D150-R208 PolarHBondContact OD2-NH2 3.06Å; F151-R208 HydrophobicContact CB-CG 4.27Å; F151-R208 HydrophobicContact CD2-CG 3.47Å; F151-R208 VanDerWaalsContact CD2-CG 3.47Å; F151-R208 HydrophobicContact CE2-CG 4.22Å; F151-R208 HydrophobicContact CG-CG 4.13Å; D154-R208 IonicContact OD2-NH2 3.61Å; L204-R208 VanDerWaalsContact O-CB 3.27Å; L204-R208 WeakPolarHBondContact O-CB 3.48Å; L204-R208 PolarHBondContact O-N 2.85Å; L205-R208 PolarHBondContact O-N 3.27Å; R208-V211 PolarHBondContact O-N 2.86Å; R208-K212 WeakPolarHBondContact O-CG 3.18Å; R208-K212 PolarHBondContact O-N 2.89Å
209	Y	69.7	Low	65.2	Low	5 Å²	5	24.6 Å²	24.6	2%	0.02	12%	0.121	C	C	.	.	H	α-helix	trans	-65.4	-46.6	179.7	174.2	-97.4	0	0	0	113	G55 D58 I59 L205 F206 I207 V211 K212 L213 L235 T239	G55-Y209 WeakPolarHBondContact O-CD2 3.32Å; G55-Y209 WeakPolarHBondContact O-CE2 3.47Å; D58-Y209 HydrophobicContact CB-CD2 3.8Å; D58-Y209 HydrophobicContact CB-CG 4.39Å; I59-Y209 HydrophobicContact CD1-CE2 3.82Å; I59-Y209 WeakPolarHBondContact CD1-OH 3.29Å; I59-Y209 HydrophobicContact CG1-CD2 4.18Å; I59-Y209 HydrophobicContact CG1-CE1 4.17Å; I59-Y209 HydrophobicContact CG1-CE2 3.39Å; I59-Y209 WeakPolarHBondContact CG1-OH 3.47Å; L205-Y209 VanDerWaalsContact O-CB 3.29Å; L205-Y209 WeakPolarHBondContact O-CB 3.47Å; L205-Y209 PolarHBondContact O-N 3.47Å; F206-Y209 PolarHBondContact O-N 3.49Å; I207-Y209 PolarHBondContact O-N 2.81Å; Y209-V211 VanDerWaalsContact C-N 3.26Å; Y209-V211 PolarHBondContact O-N 3.44Å; Y209-K212 PolarHBondContact O-N 3.23Å; Y209-L213 HydrophobicContact CD1-CD1 3.98Å; Y209-L213 HydrophobicContact CE1-CD1 3.16Å; Y209-L213 HydrophobicContact CE1-CG 3.94Å; Y209-L213 HydrophobicContact CE2-CD1 4.04Å; Y209-L213 HydrophobicContact CE2-CD2 4.36Å; Y209-L213 HydrophobicContact CE2-CG 3.98Å; Y209-L213 PolarHBondContact O-N 3.17Å; Y209-L213 WeakPolarHBondContact OH-CD1 3.46Å; Y209-L235 WeakPolarHBondContact OH-CB 3.38Å; Y209-L235 PolarHBondContact OH-O 2.82Å; Y209-T239 HydrophobicContact CD1-CG2 3.67Å; Y209-T239 HydrophobicContact CE1-CG2 3.47Å; Y209-T239 VanDerWaalsContact CE1-CG2 3.47Å; Y209-T239 WeakPolarHBondContact CE1-OG1 3.43Å; Y209-T239 PolarHBondContact OH-OG1 2.91Å
210	V	68.3	Low	65.5	Low	16 Å²	16	19 Å²	19	10%	0.097	10%	0.095	C	C	.	.	H	α-helix	trans	-58.1	-41.1	176.6	169.8	0	0	0	0	111	F206 I207 T214	F206-V210 HydrophobicContact CD1-CG2 4.25Å; F206-V210 HydrophobicContact CE1-CG2 3.83Å; F206-V210 HydrophobicContact CE2-CG2 4.29Å; F206-V210 HydrophobicContact CZ-CG2 3.85Å; F206-V210 WeakPolarHBondContact O-CG2 3.28Å; F206-V210 PolarHBondContact O-N 3.12Å; I207-V210 PolarHBondContact O-N 3.47Å; V210-T214 WeakPolarHBondContact O-CB 3.44Å; V210-T214 PolarHBondContact O-N 3.48Å; V210-T214 PolarHBondContact O-OG1 3.04Å
211	V	67.2	Low	65.7	Low	4 Å²	4	22.5 Å²	22.5	2%	0.024	11%	0.114	C	C	.	.	H	α-helix	trans	-70.9	-42.8	179.8	-170	0	0	0	0	110.4	F151 F189 L190 I207 R208 Y209 L213 T214 V215	F151-V211 HydrophobicContact CE1-CB 4.43Å; F151-V211 HydrophobicContact CE1-CG1 3.87Å; F151-V211 HydrophobicContact CE2-CB 4.02Å; F151-V211 HydrophobicContact CE2-CG1 4.18Å; F151-V211 HydrophobicContact CZ-CB 3.61Å; F151-V211 HydrophobicContact CZ-CG1 3.28Å; F189-V211 HydrophobicContact CD1-CG2 3.59Å; F189-V211 HydrophobicContact CE1-CG2 4.03Å; L190-V211 HydrophobicContact CD1-CB 4.24Å; L190-V211 HydrophobicContact CD1-CG1 3.96Å; L190-V211 HydrophobicContact CD1-CG2 4.14Å; L190-V211 HydrophobicContact CD2-CG2 4.2Å; L190-V211 HydrophobicContact CG-CB 4.46Å; L190-V211 HydrophobicContact CG-CG1 4.46Å; L190-V211 HydrophobicContact CG-CG2 3.83Å; I207-V211 HydrophobicContact CG2-CG2 4.32Å; I207-V211 WeakPolarHBondContact O-CG2 3.34Å; I207-V211 PolarHBondContact O-N 2.89Å; R208-V211 PolarHBondContact O-N 2.86Å; Y209-V211 VanDerWaalsContact C-N 3.26Å; Y209-V211 PolarHBondContact O-N 3.44Å; V211-L213 VanDerWaalsContact C-N 3.32Å; V211-L213 PolarHBondContact O-N 3.48Å; V211-T214 PolarHBondContact O-N 3.29Å; V211-V215 HydrophobicContact CG1-CG2 4.44Å; V211-V215 WeakPolarHBondContact O-CG2 3.26Å; V211-V215 PolarHBondContact O-N 3.43Å
212	K	69	Low	65.6	Low	16 Å²	16	23.5 Å²	23.5	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-55.6	-47.1	174.2	-76.9	-157.7	173.4	-157	0	111.3	D54 F151 D154 R208 Y209 V215 S216	D54-K212 IonicContact OD2-NZ 3.73Å; D54-K212 PolarHBondContact OD2-NZ 3.3Å; F151-K212 HydrophobicContact CD2-CG 3.82Å; F151-K212 HydrophobicContact CE2-CB 4.28Å; F151-K212 HydrophobicContact CE2-CG 3.39Å; D154-K212 WeakPolarHBondContact OD2-CE 3.49Å; D154-K212 IonicContact OD2-NZ 3.75Å; D154-K212 PolarHBondContact OD2-NZ 3.12Å; R208-K212 WeakPolarHBondContact O-CG 3.18Å; R208-K212 PolarHBondContact O-N 2.89Å; Y209-K212 PolarHBondContact O-N 3.23Å; K212-V215 PolarHBondContact O-N 2.95Å; K212-S216 WeakPolarHBondContact O-CB 3.32Å; K212-S216 PolarHBondContact O-N 3.41Å
213	L	68.7	Low	65.6	Low	8 Å²	8	26 Å²	26	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-63.7	-43.3	177.6	-78.9	-179.9	0	0	0	112.8	Y209 V211 V215 S216 I217 L235 M236	Y209-L213 HydrophobicContact CD1-CD1 3.98Å; Y209-L213 HydrophobicContact CE1-CD1 3.16Å; Y209-L213 HydrophobicContact CE1-CG 3.94Å; Y209-L213 HydrophobicContact CE2-CD1 4.04Å; Y209-L213 HydrophobicContact CE2-CD2 4.36Å; Y209-L213 HydrophobicContact CE2-CG 3.98Å; Y209-L213 PolarHBondContact O-N 3.17Å; Y209-L213 WeakPolarHBondContact OH-CD1 3.46Å; V211-L213 VanDerWaalsContact C-N 3.32Å; V211-L213 PolarHBondContact O-N 3.48Å; L213-V215 PolarHBondContact O-N 3.21Å; L213-S216 PolarHBondContact O-N 2.98Å; L213-I217 WeakPolarHBondContact O-CB 3.26Å; L213-I217 VanDerWaalsContact O-CG1 3.24Å; L213-I217 WeakPolarHBondContact O-CG1 3.47Å; L213-I217 PolarHBondContact O-N 3.49Å; L213-L235 HydrophobicContact CD1-CB 4.35Å; L213-L235 HydrophobicContact CD2-CB 3.97Å; L213-L235 HydrophobicContact CD2-CD1 4.36Å; L213-M236 HydrophobicContact CD1-CB 3.79Å; L213-M236 HydrophobicContact CD1-CG 4.2Å
214	T	67.1	Low	65.9	Low	63 Å²	63	23.9 Å²	23.9	39%	0.387	13%	0.13	S	C	.	.	H	α-helix	trans	-58.9	-41.7	179.1	-57.8	0	0	0	0	110.6	V210 V211 I217 A218	V210-T214 WeakPolarHBondContact O-CB 3.44Å; V210-T214 PolarHBondContact O-N 3.48Å; V210-T214 PolarHBondContact O-OG1 3.04Å; V211-T214 PolarHBondContact O-N 3.29Å; T214-I217 PolarHBondContact O-N 2.93Å; T214-A218 PolarHBondContact O-N 3.45Å
215	V	64.8	Low	66	Low	5 Å²	5	27 Å²	27	3%	0.03	14%	0.143	C	C	.	.	H	α-helix	trans	-70.1	-43.6	177.5	-178.1	0	0	0	0	111.1	L155 H159 L183 V211 K212 L213 I217 A218 E219	L155-V215 HydrophobicContact CD1-CB 4.12Å; L155-V215 HydrophobicContact CD1-CG1 4.13Å; L155-V215 HydrophobicContact CD1-CG2 3.29Å; L155-V215 HydrophobicContact CG-CG2 4.43Å; H159-V215 WeakPolarHBondContact CD2-CG1 3.48Å; H159-V215 WeakPolarHBondContact NE2-CG1 3.18Å; L183-V215 HydrophobicContact CD2-CG1 3.75Å; V211-V215 HydrophobicContact CG1-CG2 4.44Å; V211-V215 WeakPolarHBondContact O-CG2 3.26Å; V211-V215 PolarHBondContact O-N 3.43Å; K212-V215 PolarHBondContact O-N 2.95Å; L213-V215 PolarHBondContact O-N 3.21Å; V215-I217 VanDerWaalsContact C-N 3.29Å; V215-I217 PolarHBondContact O-N 2.7Å; V215-A218 WeakPolarHBondContact O-CB 3.29Å; V215-A218 PolarHBondContact O-N 2.96Å; V215-A218 VanDerWaalsContact O-N 3.12Å; V215-E219 PolarHBondContact O-N 3.36Å
216	S	66.4	Low	66.2	Low	8 Å²	8	35.5 Å²	35.5	6%	0.056	18%	0.175	C	C	.	.	H	α-helix	trans	-58.5	-39.2	174.3	173	0	0	0	0	112.6	K212 L213 S220 S232	K212-S216 WeakPolarHBondContact O-CB 3.32Å; K212-S216 PolarHBondContact O-N 3.41Å; L213-S216 PolarHBondContact O-N 2.98Å; S216-S220 WeakPolarHBondContact O-CB 3.49Å; S216-S220 PolarHBondContact O-N 3.49Å; S216-S220 PolarHBondContact O-OG 3.3Å; S216-S232 PolarHBondContact OG-OG 3.39Å
217	I	65.8	Low	66.4	Low	23 Å²	23	37.7 Å²	37.7	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-46.3	174.4	-72.1	166.7	0	0	0	110.1	L213 T214 V215 S220 L221 L229 T233 M236	L213-I217 WeakPolarHBondContact O-CB 3.26Å; L213-I217 VanDerWaalsContact O-CG1 3.24Å; L213-I217 WeakPolarHBondContact O-CG1 3.47Å; L213-I217 PolarHBondContact O-N 3.49Å; T214-I217 PolarHBondContact O-N 2.93Å; V215-I217 VanDerWaalsContact C-N 3.29Å; V215-I217 PolarHBondContact O-N 2.7Å; I217-S220 PolarHBondContact O-N 2.88Å; I217-L221 HydrophobicContact CG2-CD1 4.1Å; I217-L221 WeakPolarHBondContact O-CB 3.21Å; I217-L221 WeakPolarHBondContact O-CG 3.44Å; I217-L221 PolarHBondContact O-N 3.21Å; I217-L229 HydrophobicContact CB-CD1 4.34Å; I217-L229 HydrophobicContact CG2-CD1 3.73Å; I217-T233 HydrophobicContact CD1-CG2 3.95Å; I217-T233 HydrophobicContact CG1-CG2 4.09Å; I217-M236 HydrophobicContact CD1-CB 4.32Å; I217-M236 HydrophobicContact CD1-CE 3.67Å; I217-M236 HydrophobicContact CD1-SD 3.66Å
218	A	63.7	Low	66.1	Low	14 Å²	14	38.6 Å²	38.6	12%	0.116	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-43	177.8	0	0	0	0	0	112.3	C182 T214 V215 L221 Y222	C182-A218 HydrophobicContact CB-CB 3.99Å; T214-A218 PolarHBondContact O-N 3.45Å; V215-A218 WeakPolarHBondContact O-CB 3.29Å; V215-A218 PolarHBondContact O-N 2.96Å; V215-A218 VanDerWaalsContact O-N 3.12Å; A218-L221 PolarHBondContact O-N 2.8Å; A218-Y222 WeakPolarHBondContact O-CB 3.42Å; A218-Y222 PolarHBondContact O-N 3.49Å
219	E	59	Low	66.1	Low	14 Å²	14	39.5 Å²	39.5	7%	0.065	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-44.5	174.2	-75	-160.4	138.9	0	0	112.3	H159 R162 V215 L221 Y222 F223	H159-E219 IonicContact CD2-OE1 2.88Å; H159-E219 PolarHBondContact CD2-OE1 3.37Å; H159-E219 IonicContact CD2-OE2 3.93Å; H159-E219 IonicContact CG-OE1 3.58Å; H159-E219 VanDerWaalsContact NE2-CD 3.29Å; H159-E219 IonicContact NE2-OE1 3.32Å; H159-E219 PolarHBondContact NE2-OE1 3.32Å; H159-E219 IonicContact NE2-OE2 3.57Å; R162-E219 IonicContact NH1-OE1 3.52Å; R162-E219 IonicContact NH1-OE2 3.73Å; V215-E219 PolarHBondContact O-N 3.36Å; E219-L221 VanDerWaalsContact C-N 3.26Å; E219-L221 PolarHBondContact O-N 2.73Å; E219-Y222 WeakPolarHBondContact O-CA 3.32Å; E219-Y222 WeakPolarHBondContact O-CB 3.47Å; E219-Y222 PolarHBondContact O-N 3.34Å; E219-F223 WeakPolarHBondContact O-CD2 3.28Å; E219-F223 PolarHBondContact O-N 2.87Å
220	S	64.5	Low	66.2	Low	4 Å²	4	41.8 Å²	41.8	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-35.6	-178.8	-56.5	0	0	0	0	111.1	S216 I217 S224 F225	S216-S220 WeakPolarHBondContact O-CB 3.49Å; S216-S220 PolarHBondContact O-N 3.49Å; S216-S220 PolarHBondContact O-OG 3.3Å; I217-S220 PolarHBondContact O-N 2.88Å; S220-S224 CarbonylContact O-C 3.54Å; S220-S224 WeakPolarHBondContact O-CA 3.36Å; S220-S224 PolarHBondContact O-N 3.13Å; S220-S224 VanDerWaalsContact O-N 3.13Å; S220-F225 PolarHBondContact O-N 2.87Å
221	L	64.4	Low	66.1	Low	96 Å²	96	41.8 Å²	41.8	50%	0.503	22%	0.219	S	C	.	.	H	α-helix	trans	-63.9	-43.3	169	-74.9	167.4	0	0	0	111.6	I217 A218 E219 S224 L229	I217-L221 HydrophobicContact CG2-CD1 4.1Å; I217-L221 WeakPolarHBondContact O-CB 3.21Å; I217-L221 WeakPolarHBondContact O-CG 3.44Å; I217-L221 PolarHBondContact O-N 3.21Å; A218-L221 PolarHBondContact O-N 2.8Å; E219-L221 VanDerWaalsContact C-N 3.26Å; E219-L221 PolarHBondContact O-N 2.73Å; L221-S224 PolarHBondContact O-N 3.43Å; L221-L229 HydrophobicContact CD1-CD1 4.43Å; L221-L229 HydrophobicContact CD2-CD1 4.12Å; L221-L229 HydrophobicContact CD2-CD2 3.54Å; L221-L229 HydrophobicContact CD2-CG 4.48Å; L221-L229 HydrophobicContact CG-CD1 3.81Å; L221-L229 HydrophobicContact CG-CD2 4.14Å
222	Y	59.7	Low	66.1	Low	31 Å²	31	41.8 Å²	41.8	12%	0.122	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-49.8	179.9	-178.7	-90.3	0	0	0	112.4	L163 A166 S175 V179 A218 E219 S224	L163-Y222 HydrophobicContact CD1-CE2 4.2Å; A166-Y222 HydrophobicContact CB-CE1 4.08Å; S175-Y222 WeakPolarHBondContact OG-CE2 3.15Å; V179-Y222 HydrophobicContact CG2-CD2 3.42Å; V179-Y222 VanDerWaalsContact CG2-CD2 3.42Å; V179-Y222 HydrophobicContact CG2-CE2 4.06Å; V179-Y222 HydrophobicContact CG2-CG 3.82Å; A218-Y222 WeakPolarHBondContact O-CB 3.42Å; A218-Y222 PolarHBondContact O-N 3.49Å; E219-Y222 WeakPolarHBondContact O-CA 3.32Å; E219-Y222 WeakPolarHBondContact O-CB 3.47Å; E219-Y222 PolarHBondContact O-N 3.34Å; Y222-S224 VanDerWaalsContact C-N 3.3Å; Y222-S224 PolarHBondContact O-N 3.43Å
223	F	62.3	Low	66.1	Low	71 Å²	71	43.2 Å²	43.2	31%	0.311	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.5	-179	-69.5	-68.3	0	0	0	114.1	A166 E219 F225	A166-F223 HydrophobicContact CB-CE1 4Å; A166-F223 HydrophobicContact CB-CZ 4.09Å; E219-F223 WeakPolarHBondContact O-CD2 3.28Å; E219-F223 PolarHBondContact O-N 2.87Å; F223-F225 HydrophobicContact CB-CD1 4.21Å; F223-F225 HydrophobicContact CB-CD2 3.38Å; F223-F225 HydrophobicContact CB-CE1 4.09Å; F223-F225 HydrophobicContact CB-CE2 3.25Å; F223-F225 HydrophobicContact CB-CG 3.87Å; F223-F225 HydrophobicContact CB-CZ 3.63Å; F223-F225 HydrophobicContact CD2-CD2 4.34Å; F223-F225 AromaticContact CD2-CE2 3.92Å; F223-F225 HydrophobicContact CD2-CE2 3.92Å; F223-F225 HydrophobicContact CG-CD2 4.18Å; F223-F225 AromaticContact CG-CE2 3.67Å; F223-F225 HydrophobicContact CG-CE2 3.67Å; F223-F225 HydrophobicContact CG-CZ 4.12Å; F223-F225 PolarHBondContact O-N 3.33Å
224	S	70.1	Confident	66.3	Low	71 Å²	71	47.8 Å²	47.8	50%	0.497	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	35.6	-175.1	-59.6	0	0	0	0	113.7	S220 L221 Y222 W226	S220-S224 CarbonylContact O-C 3.54Å; S220-S224 WeakPolarHBondContact O-CA 3.36Å; S220-S224 PolarHBondContact O-N 3.13Å; S220-S224 VanDerWaalsContact O-N 3.13Å; L221-S224 PolarHBondContact O-N 3.43Å; Y222-S224 VanDerWaalsContact C-N 3.3Å; Y222-S224 PolarHBondContact O-N 3.43Å; S224-W226 PolarHBondContact O-N 3.39Å; S224-W226 VanDerWaalsContact O-N 3.11Å
225	F	67.6	Low	66.4	Low	73 Å²	73	45.4 Å²	45.4	32%	0.32	24%	0.235	S	C	.	.			trans	-84.2	76.4	176	-67.3	-32.1	0	0	0	110.4	Q48 S220 F223 S227 E228 L229	Q48-F225 VanDerWaalsContact NE2-CD2 3.33Å; S220-F225 PolarHBondContact O-N 2.87Å; F223-F225 HydrophobicContact CB-CD1 4.21Å; F223-F225 HydrophobicContact CB-CD2 3.38Å; F223-F225 HydrophobicContact CB-CE1 4.09Å; F223-F225 HydrophobicContact CB-CE2 3.25Å; F223-F225 HydrophobicContact CB-CG 3.87Å; F223-F225 HydrophobicContact CB-CZ 3.63Å; F223-F225 HydrophobicContact CD2-CD2 4.34Å; F223-F225 AromaticContact CD2-CE2 3.92Å; F223-F225 HydrophobicContact CD2-CE2 3.92Å; F223-F225 HydrophobicContact CG-CD2 4.18Å; F223-F225 AromaticContact CG-CE2 3.67Å; F223-F225 HydrophobicContact CG-CE2 3.67Å; F223-F225 HydrophobicContact CG-CZ 4.12Å; F223-F225 PolarHBondContact O-N 3.33Å; F225-S227 VanDerWaalsContact C-N 3.35Å; F225-S227 PolarHBondContact O-N 2.96Å; F225-E228 HydrophobicContact CB-CB 4.08Å; F225-E228 HydrophobicContact CB-CG 4.4Å; F225-E228 WeakPolarHBondContact CB-OE2 3.14Å; F225-E228 PolarHBondContact O-N 3.09Å; F225-L229 WeakPolarHBondContact O-CB 3.2Å; F225-L229 PolarHBondContact O-N 3.03Å
226	W	71.5	Confident	66.6	Low	179 Å²	179	47.4 Å²	47.4	68%	0.678	24%	0.244	S	C	*	.	H	α-helix	trans	-62.8	-35.5	-172.3	-63.3	103.2	0	0	0	114.1	S224 L229 S230	S224-W226 PolarHBondContact O-N 3.39Å; S224-W226 VanDerWaalsContact O-N 3.11Å; W226-L229 HydrophobicContact CE3-CD2 3.88Å; W226-L229 HydrophobicContact CZ3-CD2 3.93Å; W226-S230 PolarHBondContact O-N 2.88Å; W226-S230 VanDerWaalsContact O-N 3.08Å
227	S	70	Confident	66.9	Low	70 Å²	70	52.4 Å²	52.4	49%	0.49	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-48.7	174.3	24.7	0	0	0	0	110.7	F225 S230 I231	F225-S227 VanDerWaalsContact C-N 3.35Å; F225-S227 PolarHBondContact O-N 2.96Å; S227-S230 WeakPolarHBondContact O-CB 3.26Å; S227-S230 PolarHBondContact O-N 3.48Å; S227-S230 PolarHBondContact O-OG 3.4Å; S227-I231 VanDerWaalsContact O-CD1 3.23Å; S227-I231 WeakPolarHBondContact O-CD1 3.19Å; S227-I231 WeakPolarHBondContact O-CG1 3.18Å; S227-I231 PolarHBondContact O-N 3.37Å; S227-I231 VanDerWaalsContact O-N 3.16Å
228	E	60.3	Low	67	Low	35 Å²	35	53.6 Å²	53.6	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-69	-39.3	-177.1	-64.9	89.4	160.9	0	0	112	I52 F225 S230 I231 S232	I52-E228 HydrophobicContact CD1-CG 4.29Å; F225-E228 HydrophobicContact CB-CB 4.08Å; F225-E228 HydrophobicContact CB-CG 4.4Å; F225-E228 WeakPolarHBondContact CB-OE2 3.14Å; F225-E228 PolarHBondContact O-N 3.09Å; E228-S230 VanDerWaalsContact C-N 3.32Å; E228-S230 PolarHBondContact O-N 3.49Å; E228-I231 PolarHBondContact O-N 3.2Å; E228-S232 PolarHBondContact O-N 2.94Å; E228-S232 PolarHBondContact O-OG 3.32Å
229	L	67.9	Low	67.1	Low	24 Å²	24	53.1 Å²	53.1	13%	0.126	28%	0.276	C	S	.	.	H	α-helix	trans	-56.7	-46.8	170.3	-177.9	63.1	0	0	0	111.6	I217 L221 F225 W226 I231 T233	I217-L229 HydrophobicContact CB-CD1 4.34Å; I217-L229 HydrophobicContact CG2-CD1 3.73Å; L221-L229 HydrophobicContact CD1-CD1 4.43Å; L221-L229 HydrophobicContact CD2-CD1 4.12Å; L221-L229 HydrophobicContact CD2-CD2 3.54Å; L221-L229 HydrophobicContact CD2-CG 4.48Å; L221-L229 HydrophobicContact CG-CD1 3.81Å; L221-L229 HydrophobicContact CG-CD2 4.14Å; F225-L229 WeakPolarHBondContact O-CB 3.2Å; F225-L229 PolarHBondContact O-N 3.03Å; W226-L229 HydrophobicContact CE3-CD2 3.88Å; W226-L229 HydrophobicContact CZ3-CD2 3.93Å; L229-I231 PolarHBondContact O-N 3.46Å; L229-T233 HydrophobicContact CD1-CG2 4.11Å; L229-T233 HydrophobicContact CG-CG2 4.48Å; L229-T233 WeakPolarHBondContact O-CB 3.23Å; L229-T233 VanDerWaalsContact O-CG2 3.26Å; L229-T233 WeakPolarHBondContact O-CG2 3.16Å; L229-T233 PolarHBondContact O-N 3.18Å; L229-T233 PolarHBondContact O-OG1 3.15Å
230	S	71.6	Confident	67.6	Low	53 Å²	53	57.2 Å²	57.2	37%	0.371	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-35.6	179.8	81.6	0	0	0	0	112	W226 S227 E228 T233 Q234	W226-S230 PolarHBondContact O-N 2.88Å; W226-S230 VanDerWaalsContact O-N 3.08Å; S227-S230 WeakPolarHBondContact O-CB 3.26Å; S227-S230 PolarHBondContact O-N 3.48Å; S227-S230 PolarHBondContact O-OG 3.4Å; E228-S230 VanDerWaalsContact C-N 3.32Å; E228-S230 PolarHBondContact O-N 3.49Å; S230-T233 WeakPolarHBondContact CA-OG1 3.46Å; S230-T233 PolarHBondContact O-OG1 2.78Å; S230-Q234 WeakPolarHBondContact O-CB 3.4Å; S230-Q234 WeakPolarHBondContact O-CG 3.36Å; S230-Q234 PolarHBondContact O-N 2.87Å; S230-Q234 VanDerWaalsContact O-N 3.1Å
231	I	66.3	Low	67.6	Low	16 Å²	16	61.4 Å²	61.4	8%	0.082	32%	0.319	C	S	.	.	H	α-helix	trans	-73.1	-53.2	-179.1	-61.3	155.1	0	0	0	110	F56 V94 S227 E228 L229 T233 Q234 L235	F56-I231 HydrophobicContact CZ-CG2 4.37Å; V94-I231 HydrophobicContact CB-CD1 4.43Å; V94-I231 HydrophobicContact CB-CG1 4.46Å; V94-I231 HydrophobicContact CG1-CB 4.3Å; V94-I231 HydrophobicContact CG1-CD1 2.99Å; V94-I231 HydrophobicContact CG1-CG1 3.28Å; V94-I231 HydrophobicContact CG1-CG2 4.05Å; V94-I231 HydrophobicContact CG2-CG1 4.34Å; S227-I231 VanDerWaalsContact O-CD1 3.23Å; S227-I231 WeakPolarHBondContact O-CD1 3.19Å; S227-I231 WeakPolarHBondContact O-CG1 3.18Å; S227-I231 PolarHBondContact O-N 3.37Å; S227-I231 VanDerWaalsContact O-N 3.16Å; E228-I231 PolarHBondContact O-N 3.2Å; L229-I231 PolarHBondContact O-N 3.46Å; I231-T233 VanDerWaalsContact C-N 3.26Å; I231-T233 PolarHBondContact O-N 3.39Å; I231-Q234 PolarHBondContact O-N 3.41Å; I231-Q234 VanDerWaalsContact O-N 3.17Å; I231-L235 HydrophobicContact CG2-CD1 3.83Å; I231-L235 HydrophobicContact CG2-CG 4.34Å; I231-L235 WeakPolarHBondContact O-CB 3.07Å; I231-L235 VanDerWaalsContact O-CG 3.26Å; I231-L235 WeakPolarHBondContact O-CG 3.18Å; I231-L235 PolarHBondContact O-N 3.23Å
232	S	66.9	Low	67.7	Low	3 Å²	3	58.9 Å²	58.9	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-35.7	-177.9	-62.7	0	0	0	0	111.6	S216 E228 M236	S216-S232 PolarHBondContact OG-OG 3.39Å; E228-S232 PolarHBondContact O-N 2.94Å; E228-S232 PolarHBondContact O-OG 3.32Å; S232-M236 WeakPolarHBondContact O-CB 3.14Å; S232-M236 PolarHBondContact O-N 2.79Å
233	T	69.1	Low	67.9	Low	46 Å²	46	62.1 Å²	62.1	28%	0.282	32%	0.317	S	S	.	.	H	α-helix	trans	-68.5	-43.2	173.9	51.8	0	0	0	0	112.8	I217 L229 S230 I231 L235 M236 L237	I217-T233 HydrophobicContact CD1-CG2 3.95Å; I217-T233 HydrophobicContact CG1-CG2 4.09Å; L229-T233 HydrophobicContact CD1-CG2 4.11Å; L229-T233 HydrophobicContact CG-CG2 4.48Å; L229-T233 WeakPolarHBondContact O-CB 3.23Å; L229-T233 VanDerWaalsContact O-CG2 3.26Å; L229-T233 WeakPolarHBondContact O-CG2 3.16Å; L229-T233 PolarHBondContact O-N 3.18Å; L229-T233 PolarHBondContact O-OG1 3.15Å; S230-T233 WeakPolarHBondContact CA-OG1 3.46Å; S230-T233 PolarHBondContact O-OG1 2.78Å; I231-T233 VanDerWaalsContact C-N 3.26Å; I231-T233 PolarHBondContact O-N 3.39Å; T233-L235 VanDerWaalsContact C-N 3.34Å; T233-L235 PolarHBondContact O-N 3.33Å; T233-M236 WeakPolarHBondContact O-CB 3.37Å; T233-M236 PolarHBondContact O-N 2.76Å; T233-L237 WeakPolarHBondContact O-CG 3.39Å; T233-L237 PolarHBondContact O-N 2.78Å
234	Q	72.6	Confident	67.8	Low	105 Å²	105	61.5 Å²	61.5	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-42	174.3	-76.8	175.1	13.2	0	0	112.1	S230 I231 M236 L237 S238	S230-Q234 WeakPolarHBondContact O-CB 3.4Å; S230-Q234 WeakPolarHBondContact O-CG 3.36Å; S230-Q234 PolarHBondContact O-N 2.87Å; S230-Q234 VanDerWaalsContact O-N 3.1Å; I231-Q234 PolarHBondContact O-N 3.41Å; I231-Q234 VanDerWaalsContact O-N 3.17Å; Q234-M236 VanDerWaalsContact C-N 3.33Å; Q234-L237 PolarHBondContact O-N 3.44Å; Q234-S238 WeakPolarHBondContact O-CB 3.04Å; Q234-S238 PolarHBondContact O-N 2.76Å
235	L	69.9	Low	67.1	Low	12 Å²	12	61.6 Å²	61.6	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-40	176	-72	174.2	0	0	0	111.8	F56 I59 Y209 L213 I231 T233 T239	F56-L235 HydrophobicContact CD1-CD2 4.11Å; F56-L235 HydrophobicContact CE1-CD1 3.92Å; F56-L235 HydrophobicContact CE1-CD2 3.43Å; F56-L235 VanDerWaalsContact CE1-CD2 3.43Å; F56-L235 HydrophobicContact CE1-CG 4.27Å; F56-L235 HydrophobicContact CE2-CD1 4.12Å; F56-L235 HydrophobicContact CZ-CD1 3.68Å; F56-L235 HydrophobicContact CZ-CD2 3.96Å; F56-L235 HydrophobicContact CZ-CG 4.34Å; I59-L235 HydrophobicContact CD1-CD2 3.68Å; Y209-L235 WeakPolarHBondContact OH-CB 3.38Å; Y209-L235 PolarHBondContact OH-O 2.82Å; L213-L235 HydrophobicContact CD1-CB 4.35Å; L213-L235 HydrophobicContact CD2-CB 3.97Å; L213-L235 HydrophobicContact CD2-CD1 4.36Å; I231-L235 HydrophobicContact CG2-CD1 3.83Å; I231-L235 HydrophobicContact CG2-CG 4.34Å; I231-L235 WeakPolarHBondContact O-CB 3.07Å; I231-L235 VanDerWaalsContact O-CG 3.26Å; I231-L235 WeakPolarHBondContact O-CG 3.18Å; I231-L235 PolarHBondContact O-N 3.23Å; T233-L235 VanDerWaalsContact C-N 3.34Å; T233-L235 PolarHBondContact O-N 3.33Å; L235-T239 WeakPolarHBondContact O-CB 3.22Å; L235-T239 PolarHBondContact O-N 3.47Å; L235-T239 PolarHBondContact O-OG1 3.29Å
236	M	69.9	Low	66.4	Low	47 Å²	47	59.3 Å²	59.3	23%	0.232	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-48.7	174.9	-165.6	165.8	72.9	0	0	111.5	L213 I217 S232 T233 Q234 T239 F240	L213-M236 HydrophobicContact CD1-CB 3.79Å; L213-M236 HydrophobicContact CD1-CG 4.2Å; I217-M236 HydrophobicContact CD1-CB 4.32Å; I217-M236 HydrophobicContact CD1-CE 3.67Å; I217-M236 HydrophobicContact CD1-SD 3.66Å; S232-M236 WeakPolarHBondContact O-CB 3.14Å; S232-M236 PolarHBondContact O-N 2.79Å; T233-M236 WeakPolarHBondContact O-CB 3.37Å; T233-M236 PolarHBondContact O-N 2.76Å; Q234-M236 VanDerWaalsContact C-N 3.33Å; M236-T239 PolarHBondContact O-N 3.46Å; M236-F240 HydrophobicContact CE-CE2 4.39Å; M236-F240 HydrophobicContact CG-CD2 3.8Å; M236-F240 HydrophobicContact CG-CE2 3.44Å; M236-F240 VanDerWaalsContact CG-CE2 3.44Å; M236-F240 HydrophobicContact CG-CZ 4.48Å; M236-F240 WeakPolarHBondContact O-CD2 3.15Å; M236-F240 PolarHBondContact O-N 3.47Å; M236-F240 HydrophobicContact SD-CE2 4.01Å
237	L	71.9	Confident	65.3	Low	113 Å²	113	57.1 Å²	57.1	59%	0.592	31%	0.309	S	S	*	.	H	α-helix	trans	-60.8	-47.3	177.3	-72.7	171	0	0	0	112	T233 Q234 T239 F240 V241	T233-L237 WeakPolarHBondContact O-CG 3.39Å; T233-L237 PolarHBondContact O-N 2.78Å; Q234-L237 PolarHBondContact O-N 3.44Å; L237-T239 PolarHBondContact O-N 3.47Å; L237-F240 PolarHBondContact O-N 2.93Å; L237-V241 WeakPolarHBondContact O-CG2 3.45Å; L237-V241 PolarHBondContact O-N 2.96Å
238	S	67	Low	64.1	Low	48 Å²	48	64.1 Å²	64.1	34%	0.336	33%	0.325	S	S	.	.	H	α-helix	trans	-54.6	-41.9	175.4	176.4	0	0	0	0	111.4	Q234 V241 Q242	Q234-S238 WeakPolarHBondContact O-CB 3.04Å; Q234-S238 PolarHBondContact O-N 2.76Å; S238-V241 PolarHBondContact O-N 3.41Å; S238-Q242 VanDerWaalsContact O-CG 3.28Å; S238-Q242 WeakPolarHBondContact O-CG 3.16Å; S238-Q242 PolarHBondContact O-N 3.41Å; S238-Q242 PolarHBondContact OG-NE2 3.49Å
239	T	66.3	Low	63.1	Low	4 Å²	4	65.4 Å²	65.4	3%	0.025	34%	0.338	C	S	.	.	H	α-helix	trans	-73.7	-37.8	-177.6	-53.6	0	0	0	0	112.4	F206 Y209 L235 M236 L237 V241 Q242 Y243	F206-T239 HydrophobicContact CD2-CG2 3.95Å; F206-T239 HydrophobicContact CE2-CG2 3.48Å; F206-T239 VanDerWaalsContact CE2-CG2 3.48Å; F206-T239 HydrophobicContact CZ-CG2 4.44Å; Y209-T239 HydrophobicContact CD1-CG2 3.67Å; Y209-T239 HydrophobicContact CE1-CG2 3.47Å; Y209-T239 VanDerWaalsContact CE1-CG2 3.47Å; Y209-T239 WeakPolarHBondContact CE1-OG1 3.43Å; Y209-T239 PolarHBondContact OH-OG1 2.91Å; L235-T239 WeakPolarHBondContact O-CB 3.22Å; L235-T239 PolarHBondContact O-N 3.47Å; L235-T239 PolarHBondContact O-OG1 3.29Å; M236-T239 PolarHBondContact O-N 3.46Å; L237-T239 PolarHBondContact O-N 3.47Å; T239-V241 VanDerWaalsContact C-N 3.34Å; T239-Q242 PolarHBondContact O-N 3.15Å; T239-Y243 WeakPolarHBondContact O-CB 3.29Å; T239-Y243 PolarHBondContact O-N 2.98Å
240	F	69.3	Low	61.6	Low	100 Å²	100	69.3 Å²	69.3	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-40.7	170.5	-79.8	-58.8	0	0	0	112.1	M236 L237 Y243 A244	M236-F240 HydrophobicContact CE-CE2 4.39Å; M236-F240 HydrophobicContact CG-CD2 3.8Å; M236-F240 HydrophobicContact CG-CE2 3.44Å; M236-F240 VanDerWaalsContact CG-CE2 3.44Å; M236-F240 HydrophobicContact CG-CZ 4.48Å; M236-F240 WeakPolarHBondContact O-CD2 3.15Å; M236-F240 PolarHBondContact O-N 3.47Å; M236-F240 HydrophobicContact SD-CE2 4.01Å; L237-F240 PolarHBondContact O-N 2.93Å; F240-Y243 PolarHBondContact O-N 2.77Å; F240-A244 WeakPolarHBondContact O-CB 3.46Å; F240-A244 PolarHBondContact O-N 3.42Å
241	V	65.5	Low	59.7	Low	92 Å²	92	75.7 Å²	75.7	56%	0.558	39%	0.388	S	S	*	.	H	α-helix	trans	-62.8	-45.5	174	172.6	0	0	0	0	110.6	L237 S238 T239 Y243 A244 T245	L237-V241 WeakPolarHBondContact O-CG2 3.45Å; L237-V241 PolarHBondContact O-N 2.96Å; S238-V241 PolarHBondContact O-N 3.41Å; T239-V241 VanDerWaalsContact C-N 3.34Å; V241-Y243 VanDerWaalsContact C-N 3.31Å; V241-Y243 PolarHBondContact O-N 2.96Å; V241-A244 PolarHBondContact O-N 2.89Å; V241-T245 HydrophobicContact CG1-CG2 4.43Å; V241-T245 VanDerWaalsContact O-CG2 3.3Å; V241-T245 WeakPolarHBondContact O-CG2 3.15Å; V241-T245 PolarHBondContact O-N 3.15Å; V241-T245 PolarHBondContact O-OG1 3.44Å
242	Q	66.1	Low	59.3	Low	43 Å²	43	78.7 Å²	78.7	20%	0.201	40%	0.403	C	S	.	.	H	α-helix	trans	-59.1	-41.5	175.6	-72.1	177.2	26.6	0	0	112	S238 T239 T245 L246	S238-Q242 VanDerWaalsContact O-CG 3.28Å; S238-Q242 WeakPolarHBondContact O-CG 3.16Å; S238-Q242 PolarHBondContact O-N 3.41Å; S238-Q242 PolarHBondContact OG-NE2 3.49Å; T239-Q242 PolarHBondContact O-N 3.15Å; Q242-T245 PolarHBondContact O-OG1 2.88Å; Q242-L246 PolarHBondContact O-N 3.45Å; Q242-L246 VanDerWaalsContact O-N 3.17Å
243	Y	63.7	Low	58.9	Low	99 Å²	99	82.7 Å²	82.7	39%	0.388	42%	0.423	S	S	.	.	H	α-helix	trans	-67.6	-42.9	176.2	-174.3	-100.1	0	0	0	112.7	F206 T239 F240 V241 T245 L246 K247	F206-Y243 HydrophobicContact CD1-CD2 4.24Å; F206-Y243 HydrophobicContact CD1-CE2 4.39Å; F206-Y243 HydrophobicContact CD2-CD2 4.2Å; F206-Y243 AromaticContact CE1-CD2 3.86Å; F206-Y243 HydrophobicContact CE1-CD2 3.86Å; F206-Y243 HydrophobicContact CE1-CE2 4.16Å; F206-Y243 HydrophobicContact CE1-CG 4.16Å; F206-Y243 AromaticContact CE2-CD2 3.8Å; F206-Y243 HydrophobicContact CE2-CD2 3.8Å; F206-Y243 AromaticContact CE2-CG 3.94Å; F206-Y243 HydrophobicContact CE2-CG 3.94Å; F206-Y243 HydrophobicContact CG-CD2 4.4Å; F206-Y243 HydrophobicContact CZ-CD1 4.32Å; F206-Y243 AromaticContact CZ-CD2 3.62Å; F206-Y243 HydrophobicContact CZ-CD2 3.62Å; F206-Y243 HydrophobicContact CZ-CE2 4.37Å; F206-Y243 AromaticContact CZ-CG 3.6Å; F206-Y243 HydrophobicContact CZ-CG 3.6Å; T239-Y243 WeakPolarHBondContact O-CB 3.29Å; T239-Y243 PolarHBondContact O-N 2.98Å; F240-Y243 PolarHBondContact O-N 2.77Å; V241-Y243 VanDerWaalsContact C-N 3.31Å; V241-Y243 PolarHBondContact O-N 2.96Å; Y243-T245 PolarHBondContact O-N 3.22Å; Y243-L246 VanDerWaalsContact O-CB 3.29Å; Y243-L246 WeakPolarHBondContact O-CB 3.28Å; Y243-L246 PolarHBondContact O-N 3.32Å; Y243-L246 VanDerWaalsContact O-N 3.12Å; Y243-K247 PolarHBondContact O-N 3.19Å
244	A	60.9	Low	58.4	Low	59 Å²	59	84.7 Å²	84.7	49%	0.488	43%	0.431	S	S	.	.	H	α-helix	trans	-62.4	-42.8	177.7	0	0	0	0	0	111.8	F240 V241 L246 K247 R248	F240-A244 WeakPolarHBondContact O-CB 3.46Å; F240-A244 PolarHBondContact O-N 3.42Å; V241-A244 PolarHBondContact O-N 2.89Å; A244-L246 PolarHBondContact O-N 2.83Å; A244-K247 PolarHBondContact O-N 3.35Å; A244-R248 PolarHBondContact O-N 3.06Å
245	T	55.2	Low	57.5	Low	73 Å²	73	83.5 Å²	83.5	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-62.6	-33.4	174.3	61.6	0	0	0	0	112.1	V241 Q242 Y243 R248 S249	V241-T245 HydrophobicContact CG1-CG2 4.43Å; V241-T245 VanDerWaalsContact O-CG2 3.3Å; V241-T245 WeakPolarHBondContact O-CG2 3.15Å; V241-T245 PolarHBondContact O-N 3.15Å; V241-T245 PolarHBondContact O-OG1 3.44Å; Q242-T245 PolarHBondContact O-OG1 2.88Å; Y243-T245 PolarHBondContact O-N 3.22Å; T245-R248 PolarHBondContact O-N 3.37Å; T245-S249 PolarHBondContact O-N 3.41Å
246	L	52.7	Low	56.8	Low	24 Å²	24	88 Å²	88	13%	0.126	45%	0.45	C	S	.	.	H	α-helix	trans	-68.6	-47.4	178.2	-164.2	110.1	0	0	0	112.3	R66 F70 Q242 Y243 A244 R248 S249 L250	R66-L246 HydrophobicContact CG-CD1 3.99Å; R66-L246 VanDerWaalsContact NE-CD1 3.29Å; F70-L246 HydrophobicContact CE2-CD1 3.71Å; F70-L246 HydrophobicContact CZ-CD1 4.17Å; Q242-L246 PolarHBondContact O-N 3.45Å; Q242-L246 VanDerWaalsContact O-N 3.17Å; Y243-L246 VanDerWaalsContact O-CB 3.29Å; Y243-L246 WeakPolarHBondContact O-CB 3.28Å; Y243-L246 PolarHBondContact O-N 3.32Å; Y243-L246 VanDerWaalsContact O-N 3.12Å; A244-L246 PolarHBondContact O-N 2.83Å; L246-R248 PolarHBondContact O-N 3.43Å; L246-S249 PolarHBondContact O-N 3.45Å; L246-S249 PolarHBondContact O-OG 3.09Å; L246-L250 HydrophobicContact CD2-CD1 3.62Å; L246-L250 HydrophobicContact CG-CD1 4.02Å; L246-L250 PolarHBondContact O-N 2.95Å; L246-L250 VanDerWaalsContact O-N 3.14Å
247	K	47.3	Very low	55.9	Low	133 Å²	133	90.7 Å²	90.7	58%	0.578	47%	0.465	S	S	*	.	H	α-helix	trans	-59	-31.8	178.4	-160.9	-179.2	-177.7	-174.9	0	111.4	Y243 A244 L251	Y243-K247 PolarHBondContact O-N 3.19Å; A244-K247 PolarHBondContact O-N 3.35Å; K247-L251 HydrophobicContact CG-CD1 4.45Å; K247-L251 PolarHBondContact O-N 3.33Å
248	R	45.5	Very low	54.7	Low	217 Å²	217	89.1 Å²	89.1	82%	0.819	46%	0.456	S	S	*	.	H	α-helix	trans	-74.2	-20.8	176.2	-148.6	177.7	-168.9	177.4	3.2	114.4	A244 T245 L246	A244-R248 PolarHBondContact O-N 3.06Å; T245-R248 PolarHBondContact O-N 3.37Å; L246-R248 PolarHBondContact O-N 3.43Å
249	S	40.6	Very low	53.8	Low	63 Å²	63	92.3 Å²	92.3	44%	0.441	47%	0.465	S	S	.	.	H	α-helix	trans	-93.5	-15.3	176	67.5	0	0	0	0	114.1	T245 L246	T245-S249 PolarHBondContact O-N 3.41Å; L246-S249 PolarHBondContact O-N 3.45Å; L246-S249 PolarHBondContact O-OG 3.09Å
250	L	34.7	Very low	52.8	Low	105 Å²	105	99.7 Å²	99.7	55%	0.55	50%	0.502	S	S	.	.	H	α-helix	trans	-98	-19.2	178.4	-79.4	163.3	0	0	0	113	L246	L246-L250 HydrophobicContact CD2-CD1 3.62Å; L246-L250 HydrophobicContact CG-CD1 4.02Å; L246-L250 PolarHBondContact O-N 2.95Å; L246-L250 VanDerWaalsContact O-N 3.14Å
251	L	31.8	Very low	51.3	Low	188 Å²	188	99.6 Å²	99.6	98%	0.984	51%	0.507	S	S	*	.			trans	-79.7	0	161.7	-77.5	162.6	0	0	0	109.3	K247	K247-L251 HydrophobicContact CG-CD1 4.45Å; K247-L251 PolarHBondContact O-N 3.33Å

Retrieved 251 of 251 residues in 318.4 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).