A0A077YYT3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYT3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 230 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	30.6	Very low	39.3	Very low	223 Å²	223	96.5 Å²	96.5	100%	1.099	49%	0.492	S	S	*	.				0	122.1	0	-67.8	-166.6	123.6	0	0	108
2	P	37	Very low	39.8	Very low	126 Å²	126	95.7 Å²	95.7	82%	0.818	48%	0.478	S	S	*	.			trans	-78.7	129.9	-173	30.9	-30.8	0	0	0	111	L4	P2-L4 PolarHBondContact O-N 2.89Å
3	H	35	Very low	40.3	Very low	144 Å²	144	96.5 Å²	96.5	67%	0.667	48%	0.477	S	S	*	.			trans	-56.4	111.4	-177.2	-47.9	-79.8	0	0	0	112	G5 E81	H3-G5 PolarHBondContact O-N 3.31Å; H3-E81 IonicContact CG-OE1 3.58Å; H3-E81 IonicContact ND1-OE1 3.44Å; H3-E81 PolarHBondContact ND1-OE1 2.71Å; H3-E81 IonicContact ND1-OE2 3.38Å
4	L	36.6	Very low	40.6	Very low	135 Å²	135	94.9 Å²	94.9	71%	0.707	48%	0.475	S	S	*	.			trans	-77.1	68	174.5	-80.4	160.2	0	0	0	110.4	P2 R6 A32	P2-L4 PolarHBondContact O-N 2.89Å; L4-R6 PolarHBondContact O-N 3.29Å; L4-A32 HydrophobicContact CD2-CB 3.55Å; L4-A32 WeakPolarHBondContact CD2-O 3.44Å
5	G	36.7	Very low	40.8	Very low	47 Å²	47	98.3 Å²	98.3	49%	0.485	48%	0.48	S	S	.	.			trans	-74.1	110.3	171.9	0	0	0	0	0	110.7	H3 R7	H3-G5 PolarHBondContact O-N 3.31Å; G5-R7 PolarHBondContact O-N 2.99Å
6	R	43.3	Very low	40.7	Very low	121 Å²	121	100.7 Å²	100.7	46%	0.457	49%	0.487	S	S	.	.			trans	-69.6	117.7	166.8	-65.4	-162.3	-172.8	156.9	-2.6	109	L4 D31 R94	L4-R6 PolarHBondContact O-N 3.29Å; R6-D31 VanDerWaalsContact CD-OD1 3.27Å; R6-D31 WeakPolarHBondContact CD-OD1 3.41Å; R6-D31 IonicContact CZ-OD1 2.85Å; R6-D31 IonicContact CZ-OD2 3.98Å; R6-D31 IonicContact NE-OD1 2.66Å; R6-D31 PolarHBondContact NE-OD1 3.27Å; R6-D31 IonicContact NE-OD2 3.33Å; R6-D31 PolarHBondContact NE-OD2 3.12Å; R6-D31 IonicContact NH2-OD1 2.93Å; R6-D31 IonicContact NH2-OD2 3.09Å; R6-R94 VanDerWaalsContact CD-NH1 3.32Å
7	R	41.7	Very low	40.6	Very low	120 Å²	120	101 Å²	101	45%	0.453	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.6	-179.9	-177.8	174.9	170.5	166.7	-2	108.9	G5 E9 H30	G5-R7 PolarHBondContact O-N 2.99Å; R7-E9 HydrophobicContact CG-CG 4.23Å; R7-E9 IonicContact CZ-OE1 3.87Å; R7-E9 IonicContact NE-OE1 2.68Å; R7-E9 PolarHBondContact NE-OE1 3.01Å; R7-E9 IonicContact NH2-OE1 3.92Å; R7-E9 PolarHBondContact NH2-OE1 3.47Å; R7-H30 HydrophobicContact CB-CB 4.2Å; R7-H30 PolarHBondContact N-O 3.38Å; R7-H30 WeakPolarHBondContact O-CB 3.26Å; R7-H30 PolarHBondContact O-N 3.28Å
8	V	41.4	Very low	41.1	Very low	17 Å²	17	99.1 Å²	99.1	10%	0.103	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.6	173.2	-177.6	0	0	0	0	107.8	V10 I27 T28 L29 L77 M98	V8-V10 HydrophobicContact CG1-CG2 4.4Å; V8-I27 HydrophobicContact CG1-CG2 4.08Å; V8-T28 WeakPolarHBondContact CA-O 3.24Å; V8-L29 HydrophobicContact CB-CD2 4.18Å; V8-L29 HydrophobicContact CG1-CD2 3.81Å; V8-L29 HydrophobicContact CG2-CD2 3.49Å; V8-L29 VanDerWaalsContact CG2-CD2 3.49Å; V8-L77 HydrophobicContact CB-CD1 4.42Å; V8-M98 HydrophobicContact CB-CE 4.23Å; V8-M98 HydrophobicContact CG1-CE 3.91Å; V8-M98 HydrophobicContact CG1-SD 4.2Å; V8-M98 HydrophobicContact CG2-CE 3.86Å
9	E	42.7	Very low	40.8	Very low	33 Å²	33	96.6 Å²	96.6	15%	0.154	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.2	175.6	-63.1	-161.5	162.6	0	0	110.4	R7 H11 T28	R7-E9 HydrophobicContact CG-CG 4.23Å; R7-E9 IonicContact CZ-OE1 3.87Å; R7-E9 IonicContact NE-OE1 2.68Å; R7-E9 PolarHBondContact NE-OE1 3.01Å; R7-E9 IonicContact NH2-OE1 3.92Å; R7-E9 PolarHBondContact NH2-OE1 3.47Å; E9-H11 IonicContact OE2-CD2 3.96Å; E9-H11 IonicContact OE2-CE1 2.86Å; E9-H11 IonicContact OE2-NE2 2.83Å; E9-H11 PolarHBondContact OE2-NE2 2.91Å; E9-T28 PolarHBondContact N-O 2.73Å; E9-T28 PolarHBondContact O-N 3.17Å
10	V	45.1	Very low	40.3	Very low	18 Å²	18	92.6 Å²	92.6	11%	0.109	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113	175	-175.1	0	0	0	0	108.4	V8 V25 K26 I27 F102	V8-V10 HydrophobicContact CG1-CG2 4.4Å; V10-V25 HydrophobicContact CG1-CG1 3.69Å; V10-K26 CarbonylContact C-O 3.55Å; V10-K26 WeakPolarHBondContact CA-O 3.47Å; V10-I27 HydrophobicContact CG1-CG1 4.31Å; V10-I27 HydrophobicContact CG2-CG1 4.27Å; V10-I27 HydrophobicContact CG2-CG2 4.4Å; V10-F102 HydrophobicContact CG1-CE2 4.35Å; V10-F102 HydrophobicContact CG1-CZ 4.15Å; V10-F102 HydrophobicContact CG2-CE2 4.3Å
11	H	42.5	Very low	40.3	Very low	77 Å²	77	88.9 Å²	88.9	36%	0.356	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.1	177.8	-71.8	-98.6	0	0	0	108.9	E9 V25 K26	E9-H11 IonicContact OE2-CD2 3.96Å; E9-H11 IonicContact OE2-CE1 2.86Å; E9-H11 IonicContact OE2-NE2 2.83Å; E9-H11 PolarHBondContact OE2-NE2 2.91Å; H11-V25 WeakPolarHBondContact O-CA 3.27Å; H11-K26 HydrophobicContact CB-CB 4.26Å; H11-K26 PolarHBondContact N-O 3.33Å; H11-K26 PolarHBondContact O-N 2.72Å
12	R	44.6	Very low	40.7	Very low	87 Å²	87	79.1 Å²	79.1	33%	0.328	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.3	173.8	-58	-171.6	-167.9	173.5	10.6	109	L24 V25 F102	R12-L24 CarbonylContact C-O 3.49Å; R12-L24 WeakPolarHBondContact CA-O 3.42Å; R12-V25 HydrophobicContact CG-CG1 4.48Å; R12-V25 HydrophobicContact CG-CG2 4.36Å; R12-F102 VanDerWaalsContact NH2-CD1 3.32Å
13	K	46.7	Very low	41	Very low	107 Å²	107	75.7 Å²	75.7	47%	0.465	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	112.2	173.2	-168.5	176	-171.5	176.5	0	108.6	R15 L24	K13-R15 HydrophobicContact CG-CG 4.49Å; K13-L24 HydrophobicContact CB-CB 4.37Å; K13-L24 PolarHBondContact N-O 2.9Å; K13-L24 PolarHBondContact O-N 2.66Å
14	V	45.2	Very low	41.4	Very low	74 Å²	74	71.6 Å²	71.6	45%	0.448	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.8	174.2	-175.9	0	0	0	0	107.3	L21 V23	V14-L21 HydrophobicContact CG1-CD1 3.28Å; V14-L21 HydrophobicContact CG1-CG 4.25Å; V14-V23 HydrophobicContact CG2-CG1 4.45Å; V14-V23 HydrophobicContact CG2-CG2 4.44Å
15	R	43.3	Very low	41.7	Very low	145 Å²	145	68.3 Å²	68.3	55%	0.547	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.2	172.1	-81.3	-167.5	167.9	-173.6	-1.1	109.8	K13 C22	K13-R15 HydrophobicContact CG-CG 4.49Å; R15-C22 PolarHBondContact N-O 2.68Å; R15-C22 PolarHBondContact O-N 2.85Å
16	F	38.5	Very low	42.3	Very low	137 Å²	137	70.8 Å²	70.8	60%	0.601	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.9	164.9	-72.9	-91.7	0	0	0	108	V20 L21	F16-V20 WeakPolarHBondContact CA-O 3.29Å; F16-L21 HydrophobicContact CD1-CD1 4.03Å; F16-L21 HydrophobicContact CD2-CD1 4Å; F16-L21 HydrophobicContact CE1-CB 4.32Å; F16-L21 HydrophobicContact CE1-CD1 3.67Å; F16-L21 HydrophobicContact CE2-CD1 3.63Å; F16-L21 HydrophobicContact CG-CD1 4.2Å; F16-L21 HydrophobicContact CZ-CD1 3.46Å; F16-L21 VanDerWaalsContact CZ-CD1 3.46Å
17	E	40.1	Very low	42.3	Very low	106 Å²	106	69.5 Å²	69.5	50%	0.495	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	96	164.5	-81.9	-153.4	154.8	0	0	108.8	Q19 V20 K47	E17-Q19 PolarHBondContact O-N 3.31Å; E17-V20 PolarHBondContact N-O 2.92Å; E17-V20 WeakPolarHBondContact O-CB 3.43Å; E17-V20 WeakPolarHBondContact O-CG2 3.39Å; E17-V20 PolarHBondContact O-N 3.27Å; E17-K47 WeakPolarHBondContact OE2-CE 3.38Å; E17-K47 IonicContact OE2-NZ 3.47Å; E17-K47 PolarHBondContact OE2-NZ 2.79Å
18	G	48.8	Very low	42.5	Very low	67 Å²	67	65.5 Å²	65.5	69%	0.691	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	-107.5	-169.5	0	0	0	0	0	109.9
19	Q	35.6	Very low	42.5	Very low	52 Å²	52	70.9 Å²	70.9	24%	0.243	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	10.2	-172.2	-116.5	-172.8	78	0	0	113.2	E17 I50 N52 T53	E17-Q19 PolarHBondContact O-N 3.31Å; Q19-I50 CarbonylContact C-O 3.57Å; Q19-N52 VanDerWaalsContact CB-C 3.43Å; Q19-N52 HydrophobicContact CB-CB 3.42Å; Q19-N52 VanDerWaalsContact CB-CB 3.42Å; Q19-N52 WeakPolarHBondContact CB-O 3.31Å; Q19-N52 HydrophobicContact CG-CB 3.54Å; Q19-N52 WeakPolarHBondContact O-CB 3.43Å; Q19-N52 PolarHBondContact OE1-O 3.33Å; Q19-N52 VanDerWaalsContact OE1-O 3.07Å; Q19-N52 PolarHBondContact OE1-OD1 2.93Å; Q19-T53 VanDerWaalsContact CD-C 3.45Å; Q19-T53 PolarHBondContact NE2-O 3.38Å; Q19-T53 VanDerWaalsContact OE1-C 3.27Å; Q19-T53 PolarHBondContact OE1-O 2.88Å
20	V	31.6	Very low	42.5	Very low	16 Å²	16	73.5 Å²	73.5	10%	0.097	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.6	-172.3	-178.1	0	0	0	0	109.4	F16 E17 C22 T49 I50	F16-V20 WeakPolarHBondContact CA-O 3.29Å; E17-V20 PolarHBondContact N-O 2.92Å; E17-V20 WeakPolarHBondContact O-CB 3.43Å; E17-V20 WeakPolarHBondContact O-CG2 3.39Å; E17-V20 PolarHBondContact O-N 3.27Å; V20-C22 PolarHBondContact O-N 2.93Å; V20-T49 HydrophobicContact CB-CG2 4.23Å; V20-T49 VanDerWaalsContact CG1-C 3.49Å; V20-T49 HydrophobicContact CG1-CG2 3.53Å; V20-T49 HydrophobicContact CG2-CG2 3.62Å; V20-I50 WeakPolarHBondContact CA-O 3.45Å; V20-I50 WeakPolarHBondContact CG2-O 3.46Å
21	L	39.6	Very low	42.4	Very low	15 Å²	15	76 Å²	76	8%	0.079	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	107	170.1	-172.2	66.4	0	0	0	110	V14 F16 V23 I50 I170	V14-L21 HydrophobicContact CG1-CD1 3.28Å; V14-L21 HydrophobicContact CG1-CG 4.25Å; F16-L21 HydrophobicContact CD1-CD1 4.03Å; F16-L21 HydrophobicContact CD2-CD1 4Å; F16-L21 HydrophobicContact CE1-CB 4.32Å; F16-L21 HydrophobicContact CE1-CD1 3.67Å; F16-L21 HydrophobicContact CE2-CD1 3.63Å; F16-L21 HydrophobicContact CG-CD1 4.2Å; F16-L21 HydrophobicContact CZ-CD1 3.46Å; F16-L21 VanDerWaalsContact CZ-CD1 3.46Å; L21-V23 HydrophobicContact CD2-CG2 4.32Å; L21-V23 HydrophobicContact CG-CG2 4.25Å; L21-I50 HydrophobicContact CB-CD1 4.26Å; L21-I170 HydrophobicContact CD2-CB 3.96Å; L21-I170 HydrophobicContact CD2-CD1 3.89Å; L21-I170 HydrophobicContact CD2-CG1 3.58Å; L21-I170 HydrophobicContact CD2-CG2 3.24Å
22	C	39	Very low	42.4	Very low	17 Å²	17	75 Å²	75	12%	0.115	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.9	172.7	-65.3	0	0	0	0	108.8	R15 V20 M48	R15-C22 PolarHBondContact N-O 2.68Å; R15-C22 PolarHBondContact O-N 2.85Å; V20-C22 PolarHBondContact O-N 2.93Å; C22-M48 PolarHBondContact SG-O 3.44Å
23	V	43.6	Very low	42.2	Very low	55 Å²	55	74.1 Å²	74.1	33%	0.333	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	109.4	171.8	-175.7	0	0	0	0	108.7	V14 L21 V25	V14-V23 HydrophobicContact CG2-CG1 4.45Å; V14-V23 HydrophobicContact CG2-CG2 4.44Å; L21-V23 HydrophobicContact CD2-CG2 4.32Å; L21-V23 HydrophobicContact CG-CG2 4.25Å; V23-V25 HydrophobicContact CG1-CG2 4.12Å
24	L	42.6	Very low	41.5	Very low	57 Å²	57	78.2 Å²	78.2	30%	0.298	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.9	175.2	-170.1	73.1	0	0	0	109.5	R12 K13 L45	R12-L24 CarbonylContact C-O 3.49Å; R12-L24 WeakPolarHBondContact CA-O 3.42Å; K13-L24 HydrophobicContact CB-CB 4.37Å; K13-L24 PolarHBondContact N-O 2.9Å; K13-L24 PolarHBondContact O-N 2.66Å; L24-L45 HydrophobicContact CD1-CG 4.13Å
25	V	43.7	Very low	40.8	Very low	66 Å²	66	79.5 Å²	79.5	40%	0.4	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.1	174.7	-174.1	0	0	0	0	108.6	V10 H11 R12 V23 I27	V10-V25 HydrophobicContact CG1-CG1 3.69Å; H11-V25 WeakPolarHBondContact O-CA 3.27Å; R12-V25 HydrophobicContact CG-CG1 4.48Å; R12-V25 HydrophobicContact CG-CG2 4.36Å; V23-V25 HydrophobicContact CG1-CG2 4.12Å; V25-I27 HydrophobicContact CG1-CG1 4.27Å
26	K	49	Very low	40.4	Very low	99 Å²	99	77.6 Å²	77.6	43%	0.43	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.5	174.5	180	179.2	-179.5	179.3	0	109	V10 H11	V10-K26 CarbonylContact C-O 3.55Å; V10-K26 WeakPolarHBondContact CA-O 3.47Å; H11-K26 HydrophobicContact CB-CB 4.26Å; H11-K26 PolarHBondContact N-O 3.33Å; H11-K26 PolarHBondContact O-N 2.72Å
27	I	43.2	Very low	39.8	Very low	95 Å²	95	76.3 Å²	76.3	49%	0.487	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.4	175.4	-56.3	171.2	0	0	0	107.5	V8 V10 V25	V8-I27 HydrophobicContact CG1-CG2 4.08Å; V10-I27 HydrophobicContact CG1-CG1 4.31Å; V10-I27 HydrophobicContact CG2-CG1 4.27Å; V10-I27 HydrophobicContact CG2-CG2 4.4Å; V25-I27 HydrophobicContact CG1-CG1 4.27Å
28	T	44.8	Very low	39.3	Very low	36 Å²	36	79.8 Å²	79.8	22%	0.221	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.3	179.3	-39.2	0	0	0	0	108.5	V8 E9	V8-T28 WeakPolarHBondContact CA-O 3.24Å; E9-T28 PolarHBondContact N-O 2.73Å; E9-T28 PolarHBondContact O-N 3.17Å
29	L	41.5	Very low	38.2	Very low	129 Å²	129	85.1 Å²	85.1	68%	0.675	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.3	177.3	-64.4	169.9	0	0	0	108	V8	V8-L29 HydrophobicContact CB-CD2 4.18Å; V8-L29 HydrophobicContact CG1-CD2 3.81Å; V8-L29 HydrophobicContact CG2-CD2 3.49Å; V8-L29 VanDerWaalsContact CG2-CD2 3.49Å
30	H	43.1	Very low	37.8	Very low	88 Å²	88	88 Å²	88	41%	0.407	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	108.9	171	-63.8	-97.7	0	0	0	108.2	R7	R7-H30 HydrophobicContact CB-CB 4.2Å; R7-H30 PolarHBondContact N-O 3.38Å; R7-H30 WeakPolarHBondContact O-CB 3.26Å; R7-H30 PolarHBondContact O-N 3.28Å
31	D	43.8	Very low	37.5	Very low	72 Å²	72	94.4 Å²	94.4	39%	0.385	51%	0.509	S	S	.	.			trans	-95.3	116.3	167.9	-141.9	-19	0	0	0	108.1	R6 G33	R6-D31 VanDerWaalsContact CD-OD1 3.27Å; R6-D31 WeakPolarHBondContact CD-OD1 3.41Å; R6-D31 IonicContact CZ-OD1 2.85Å; R6-D31 IonicContact CZ-OD2 3.98Å; R6-D31 IonicContact NE-OD1 2.66Å; R6-D31 PolarHBondContact NE-OD1 3.27Å; R6-D31 IonicContact NE-OD2 3.33Å; R6-D31 PolarHBondContact NE-OD2 3.12Å; R6-D31 IonicContact NH2-OD1 2.93Å; R6-D31 IonicContact NH2-OD2 3.09Å; D31-G33 PolarHBondContact O-N 2.86Å
32	A	41.2	Very low	37	Very low	56 Å²	56	102.2 Å²	102.2	46%	0.463	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	97.2	176.8	0	0	0	0	0	107.9	L4	L4-A32 HydrophobicContact CD2-CB 3.55Å; L4-A32 WeakPolarHBondContact CD2-O 3.44Å
33	G	41	Very low	36.3	Very low	68 Å²	68	103.8 Å²	103.8	70%	0.701	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	150.7	-12.6	-179	0	0	0	0	0	114.7	D31	D31-G33 PolarHBondContact O-N 2.86Å
34	Y	31.8	Very low	35.5	Very low	192 Å²	192	104.7 Å²	104.7	75%	0.753	56%	0.563	S	S	*	*	S	Bend	trans	-121.5	135.7	170.4	-73.9	-87.4	0	0	0	109.8
35	P	31.2	Very low	34.7	Very low	102 Å²	102	108 Å²	108	66%	0.662	58%	0.58	S	S	*	*			trans	-55	140.1	175.8	22.9	-31.4	0	0	0	108.7	I37	P35-I37 PolarHBondContact O-N 2.64Å
36	P	34.3	Very low	34	Very low	104 Å²	104	107.9 Å²	107.9	68%	0.675	58%	0.579	S	S	*	*			trans	-55	112.8	179.3	21.3	-30.3	0	0	0	107.5	Q38	P36-Q38 PolarHBondContact O-N 3.33Å
37	I	27.3	Very low	32.9	Very low	111 Å²	111	108.9 Å²	108.9	57%	0.569	58%	0.584	S	S	*	*			trans	-66.2	89.9	176.4	-57.8	174.3	0	0	0	105.5	P35 H39 M40	P35-I37 PolarHBondContact O-N 2.64Å; I37-H39 HydrophobicContact CG2-CB 3.93Å; I37-H39 PolarHBondContact O-N 2.77Å; I37-M40 PolarHBondContact O-N 2.89Å; I37-M40 VanDerWaalsContact O-N 3.17Å
38	Q	29.4	Very low	32.1	Very low	178 Å²	178	107.6 Å²	107.6	83%	0.832	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-9.3	175.2	-71.9	-174.7	-9.6	0	0	111.3	P36 M40	P36-Q38 PolarHBondContact O-N 3.33Å; Q38-M40 VanDerWaalsContact C-N 3.26Å; Q38-M40 PolarHBondContact O-N 3.41Å
39	H	25.7	Very low	31	Very low	180 Å²	180	109.7 Å²	109.7	83%	0.833	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	23	171.4	-124.5	-94.2	0	0	0	115	I37 N41	I37-H39 HydrophobicContact CG2-CB 3.93Å; I37-H39 PolarHBondContact O-N 2.77Å; H39-N41 PolarHBondContact O-N 3.37Å
40	M	25.9	Very low	30.4	Very low	111 Å²	111	107 Å²	107	55%	0.547	58%	0.575	S	S	.	*			trans	-90.5	31.8	166	-85.4	-148.3	175.2	0	0	112.9	I37 Q38 Q42	I37-M40 PolarHBondContact O-N 2.89Å; I37-M40 VanDerWaalsContact O-N 3.17Å; Q38-M40 VanDerWaalsContact C-N 3.26Å; Q38-M40 PolarHBondContact O-N 3.41Å; M40-Q42 PolarHBondContact O-N 3.22Å
41	N	26	Very low	29.5	Very low	152 Å²	152	110.7 Å²	110.7	81%	0.813	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	11.5	-179.2	-140.1	-11	0	0	0	114.4	H39	H39-N41 PolarHBondContact O-N 3.37Å
42	Q	28.1	Very low	28.5	Very low	178 Å²	178	109.9 Å²	109.9	83%	0.832	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.5	46.3	-179	-61.8	-173.5	-5.3	0	0	112.1	M40	M40-Q42 PolarHBondContact O-N 3.22Å
43	S	25.7	Very low	27.7	Very low	50 Å²	50	111.3 Å²	111.3	35%	0.35	59%	0.591	S	S	.	*			trans	-49.8	127	160	-61	0	0	0	0	108	L45	S43-L45 PolarHBondContact O-N 2.84Å
44	P	27	Very low	26.9	Very low	74 Å²	74	118.5 Å²	118.5	48%	0.481	60%	0.597	S	S	.	*			trans	-61.1	112.8	-170.8	23.7	-30.9	0	0	0	108.5	V46	P44-V46 VanDerWaalsContact C-N 3.3Å; P44-V46 PolarHBondContact O-N 2.95Å
45	L	25.8	Very low	26.7	Very low	128 Å²	128	116.4 Å²	116.4	67%	0.67	59%	0.594	S	S	*	*			trans	-56.8	99.6	163.9	-112	92.6	0	0	0	106.2	L24 S43 K47	L24-L45 HydrophobicContact CD1-CG 4.13Å; S43-L45 PolarHBondContact O-N 2.84Å; L45-K47 PolarHBondContact O-N 3.37Å
46	V	27.9	Very low	26.3	Very low	62 Å²	62	122 Å²	122	38%	0.376	61%	0.608	S	S	.	*			trans	-74.4	84.5	162.2	-177.4	0	0	0	0	105.2	P44 M48	P44-V46 VanDerWaalsContact C-N 3.3Å; P44-V46 PolarHBondContact O-N 2.95Å; V46-M48 PolarHBondContact O-N 2.8Å; V46-M48 VanDerWaalsContact O-N 3.14Å
47	K	26.8	Very low	25.8	Very low	121 Å²	121	120.5 Å²	120.5	53%	0.526	61%	0.612	S	S	.	*			trans	-79.5	86.7	175.3	-169.2	176.5	-175.7	173.2	0	107.1	E17 L45	E17-K47 WeakPolarHBondContact OE2-CE 3.38Å; E17-K47 IonicContact OE2-NZ 3.47Å; E17-K47 PolarHBondContact OE2-NZ 2.79Å; L45-K47 PolarHBondContact O-N 3.37Å
48	M	25.4	Very low	25.5	Very low	68 Å²	68	121.2 Å²	121.2	34%	0.335	63%	0.627	S	S	.	*			trans	-86.7	114.1	179.2	-140.8	171.3	-165.5	0	0	109.3	C22 V46 L177 P213	C22-M48 PolarHBondContact SG-O 3.44Å; V46-M48 PolarHBondContact O-N 2.8Å; V46-M48 VanDerWaalsContact O-N 3.14Å; M48-L177 HydrophobicContact SD-CD1 4.25Å; M48-P213 HydrophobicContact CE-CG 4.19Å
49	T	23.1	Very low	25.3	Very low	79 Å²	79	120.8 Å²	120.8	49%	0.485	62%	0.624	S	S	.	*			trans	-96.8	88.8	-171.1	-49.9	0	0	0	0	111.8	V20 Q51	V20-T49 HydrophobicContact CB-CG2 4.23Å; V20-T49 VanDerWaalsContact CG1-C 3.49Å; V20-T49 HydrophobicContact CG1-CG2 3.53Å; V20-T49 HydrophobicContact CG2-CG2 3.62Å; T49-Q51 HydrophobicContact CG2-CG 4.06Å; T49-Q51 PolarHBondContact O-N 3.07Å; T49-Q51 VanDerWaalsContact O-N 3.1Å
50	I	27.3	Very low	25.2	Very low	74 Å²	74	118.4 Å²	118.4	38%	0.379	62%	0.622	S	S	.	*			trans	-73.6	84.7	167.4	-51.6	-175.9	0	0	0	111.1	Q19 V20 L21 N52 L173	Q19-I50 CarbonylContact C-O 3.57Å; V20-I50 WeakPolarHBondContact CA-O 3.45Å; V20-I50 WeakPolarHBondContact CG2-O 3.46Å; L21-I50 HydrophobicContact CB-CD1 4.26Å; I50-N52 PolarHBondContact O-N 3.17Å; I50-L173 HydrophobicContact CD1-CD1 4.22Å
51	Q	24.3	Very low	25.1	Very low	164 Å²	164	117.6 Å²	117.6	77%	0.766	63%	0.626	S	S	*	*			trans	-60.5	113.6	176.8	-65.2	-175.4	6.9	0	0	111	T49	T49-Q51 HydrophobicContact CG2-CG 4.06Å; T49-Q51 PolarHBondContact O-N 3.07Å; T49-Q51 VanDerWaalsContact O-N 3.1Å
52	N	24.1	Very low	25.1	Very low	55 Å²	55	118.8 Å²	118.8	29%	0.294	63%	0.626	S	S	.	*			trans	-111.3	137.8	166.4	-159.4	-4	0	0	0	103.7	Q19 I50	Q19-N52 VanDerWaalsContact CB-C 3.43Å; Q19-N52 HydrophobicContact CB-CB 3.42Å; Q19-N52 VanDerWaalsContact CB-CB 3.42Å; Q19-N52 WeakPolarHBondContact CB-O 3.31Å; Q19-N52 HydrophobicContact CG-CB 3.54Å; Q19-N52 WeakPolarHBondContact O-CB 3.43Å; Q19-N52 PolarHBondContact OE1-O 3.33Å; Q19-N52 VanDerWaalsContact OE1-O 3.07Å; Q19-N52 PolarHBondContact OE1-OD1 2.93Å; I50-N52 PolarHBondContact O-N 3.17Å
53	T	24.8	Very low	25	Very low	87 Å²	87	120.5 Å²	120.5	53%	0.534	63%	0.626	S	S	.	*			trans	-91.7	129.8	-175.1	44.5	0	0	0	0	112.6	Q19	Q19-T53 VanDerWaalsContact CD-C 3.45Å; Q19-T53 PolarHBondContact NE2-O 3.38Å; Q19-T53 VanDerWaalsContact OE1-C 3.27Å; Q19-T53 PolarHBondContact OE1-O 2.88Å
54	R	23.4	Very low	24.9	Very low	218 Å²	218	125.4 Å²	125.4	82%	0.823	65%	0.648	S	S	*	*			trans	-50.8	135.2	-177.1	-79.4	175.5	171.3	170.1	-2.9	113.9
55	Q	26.6	Very low	24.9	Very low	149 Å²	149	127.3 Å²	127.3	70%	0.696	65%	0.653	S	S	*	*				-141.4	146.9	126.4	-78.2	-147.4	7.5	0	0	110.9
56	K	24.1	Very low	24.7	Very low	218 Å²	218	126.5 Å²	126.5	95%	0.948	66%	0.656	S	S	*	*			trans	-97.9	104.3	-163.9	-167.4	-177.2	-172.5	-173.9	0	106.8
57	G	22.3	Very low	24.5	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	68%	0.679	S	S	*	*			trans	-133	125.6	178.8	0	0	0	0	0	110.5
58	S	22.6	Very low	24.4	Very low	126 Å²	126	128.6 Å²	128.6	88%	0.881	68%	0.683	S	S	*	*			trans	-62.3	141.8	-173.2	-75.5	0	0	0	0	113.4	V60	S58-V60 PolarHBondContact O-N 2.88Å
59	H	23.9	Very low	24.3	Very low	169 Å²	169	128.3 Å²	128.3	78%	0.782	70%	0.697	S	S	*	*			trans	-45.4	123.9	173.8	-93.6	-103.4	0	0	0	113.6	C61	H59-C61 PolarHBondContact ND1-SG 3.49Å
60	V	24	Very low	24.4	Very low	130 Å²	130	133 Å²	133	79%	0.788	71%	0.711	S	S	*	*			trans	-124.5	101.3	143.9	-178.2	0	0	0	0	106.2	S58 H62	S58-V60 PolarHBondContact O-N 2.88Å; V60-H62 PolarHBondContact O-N 2.93Å; V60-H62 VanDerWaalsContact O-N 3.16Å
61	C	24.4	Very low	24.2	Very low	93 Å²	93	134.8 Å²	134.8	63%	0.628	73%	0.73	S	S	*	*			trans	-72	103.8	175.1	-66.8	0	0	0	0	108.5	H59 R63	H59-C61 PolarHBondContact ND1-SG 3.49Å; C61-R63 PolarHBondContact O-N 3.03Å; C61-R63 VanDerWaalsContact O-N 3.12Å
62	H	25.4	Very low	24.3	Very low	177 Å²	177	136.1 Å²	136.1	82%	0.819	73%	0.733	S	S	*	*			trans	-66.1	109.5	159.3	-111.9	-83.3	0	0	0	107.6	V60	V60-H62 PolarHBondContact O-N 2.93Å; V60-H62 VanDerWaalsContact O-N 3.16Å
63	R	26.2	Very low	24.3	Very low	215 Å²	215	135.5 Å²	135.5	81%	0.811	74%	0.739	S	S	*	*	S	Bend	trans	-59.7	148.4	163.1	-65.8	177.3	-177.3	178.6	0.7	106.9	C61	C61-R63 PolarHBondContact O-N 3.03Å; C61-R63 VanDerWaalsContact O-N 3.12Å
64	D	24.6	Very low	24.3	Very low	153 Å²	153	135.2 Å²	135.2	82%	0.818	74%	0.741	S	S	*	*			trans	102.7	28.3	173.5	-44.3	-33.1	0	0	0	118.2
65	L	25.6	Very low	24.5	Very low	113 Å²	113	129.4 Å²	129.4	59%	0.592	72%	0.722	S	S	*	*	S	Bend	trans	-125.5	132.7	142.4	-93.2	100.5	0	0	0	110.8	C67 L116	L65-C67 PolarHBondContact O-N 3.34Å; L65-L116 HydrophobicContact CD2-CD1 4.4Å
66	P	22.7	Very low	24.3	Very low	112 Å²	112	127.9 Å²	127.9	73%	0.727	72%	0.718	S	S	*	*			trans	-63.8	115.7	-177.9	25.7	-31	0	0	0	108.3	V68	P66-V68 PolarHBondContact O-N 3.05Å
67	C	23.3	Very low	24.4	Very low	127 Å²	127	120 Å²	120	86%	0.858	69%	0.686	S	S	*	*			trans	-56.4	94.6	160.8	-66.9	0	0	0	0	106.9	L65 G69	L65-C67 PolarHBondContact O-N 3.34Å; C67-G69 PolarHBondContact O-N 2.68Å
68	V	24.9	Very low	24.5	Very low	100 Å²	100	126.7 Å²	126.7	61%	0.606	69%	0.688	S	S	*	*			trans	-67.4	89.1	171.7	-171.8	0	0	0	0	105.7	P66 F70	P66-V68 PolarHBondContact O-N 3.05Å; V68-F70 PolarHBondContact O-N 3.05Å
69	G	22.3	Very low	24.7	Very low	62 Å²	62	124.2 Å²	124.2	64%	0.639	67%	0.671	S	S	*	*			trans	-58.9	112.7	176.2	0	0	0	0	0	108	C67 S71	C67-G69 PolarHBondContact O-N 2.68Å; G69-S71 PolarHBondContact O-N 2.99Å
70	F	25.5	Very low	24.9	Very low	177 Å²	177	121.8 Å²	121.8	78%	0.776	67%	0.668	S	S	*	*			trans	-67.2	83.8	163.9	-85.7	-87.6	0	0	0	107.4	V68	V68-F70 PolarHBondContact O-N 3.05Å
71	S	23	Very low	25	Very low	111 Å²	111	122.4 Å²	122.4	78%	0.776	66%	0.662	S	S	*	*			trans	-60.5	141.9	170.5	-155.6	0	0	0	0	108.1	G69 G73	G69-S71 PolarHBondContact O-N 2.99Å; S71-G73 PolarHBondContact O-N 3.37Å
72	K	25.8	Very low	25.1	Very low	193 Å²	193	121 Å²	121	84%	0.839	66%	0.663	S	S	*	*			trans	-60.2	84.6	177.9	-73.3	170.9	178.6	168.9	0	109.4	S74	K72-S74 PolarHBondContact O-N 2.97Å; K72-S74 VanDerWaalsContact O-N 3.15Å
73	G	24.4	Very low	25.3	Very low	41 Å²	41	124.6 Å²	124.6	42%	0.423	67%	0.67	S	S	.	*			trans	-74.5	102.7	179.1	0	0	0	0	0	110	S71 F75	S71-G73 PolarHBondContact O-N 3.37Å; G73-F75 WeakPolarHBondContact O-CD2 3.47Å
74	S	25.5	Very low	25.7	Very low	81 Å²	81	117 Å²	117	57%	0.566	65%	0.653	S	S	*	*			trans	-84.8	104.2	167.3	-45.9	0	0	0	0	107	K72	K72-S74 PolarHBondContact O-N 2.97Å; K72-S74 VanDerWaalsContact O-N 3.15Å
75	F	27.1	Very low	26.2	Very low	97 Å²	97	117.7 Å²	117.7	43%	0.425	65%	0.651	S	S	.	*			trans	-85.4	118.3	-179.7	-70.4	-87	0	0	0	110.6	G73 I105	G73-F75 WeakPolarHBondContact O-CD2 3.47Å; F75-I105 HydrophobicContact CD1-CD1 3.74Å; F75-I105 HydrophobicContact CD1-CG1 4.27Å; F75-I105 HydrophobicContact CD2-CD1 3.79Å; F75-I105 HydrophobicContact CE1-CD1 3.44Å; F75-I105 VanDerWaalsContact CE1-CD1 3.44Å; F75-I105 HydrophobicContact CE1-CG1 3.56Å; F75-I105 HydrophobicContact CE2-CD1 3.49Å; F75-I105 VanDerWaalsContact CE2-CD1 3.49Å; F75-I105 HydrophobicContact CE2-CG1 4.2Å; F75-I105 HydrophobicContact CG-CD1 3.91Å; F75-I105 HydrophobicContact CZ-CD1 3.31Å; F75-I105 HydrophobicContact CZ-CG1 3.52Å; F75-I105 HydrophobicContact CZ-CG2 4.24Å
76	L	23.2	Very low	26.8	Very low	117 Å²	117	115.1 Å²	115.1	61%	0.613	65%	0.652	S	S	*	*			trans	-94.4	94.8	176.8	-155.5	148	0	0	0	108.5	R78	L76-R78 PolarHBondContact O-N 3.15Å
77	L	26.2	Very low	27.6	Very low	51 Å²	51	112.6 Å²	112.6	27%	0.267	64%	0.637	S	S	.	*			trans	-70.4	98.9	176.7	-78.5	166.1	0	0	0	110.1	V8 S79 M98	V8-L77 HydrophobicContact CB-CD1 4.42Å; L77-S79 PolarHBondContact O-N 2.7Å; L77-M98 HydrophobicContact CD1-CG 3.98Å
78	R	25	Very low	28.3	Very low	215 Å²	215	110.1 Å²	110.1	81%	0.811	61%	0.613	S	S	*	*			trans	-71.6	113.4	172.1	-139.8	177.8	-143.6	-152.6	5	109.2	L76 T80 K97	L76-R78 PolarHBondContact O-N 3.15Å; R78-T80 PolarHBondContact O-N 3.4Å; R78-K97 PolarHBondContact O-NZ 3.25Å
79	S	26.6	Very low	29	Very low	74 Å²	74	112.4 Å²	112.4	52%	0.517	62%	0.617	S	S	.	*			trans	-82.2	102	174.2	-173	0	0	0	0	108.9	L77 E81	L77-S79 PolarHBondContact O-N 2.7Å; S79-E81 PolarHBondContact O-N 2.85Å
80	T	27.5	Very low	29.8	Very low	118 Å²	118	109.8 Å²	109.8	72%	0.724	59%	0.59	S	S	*	*			trans	-68.1	114.7	162.8	46.6	0	0	0	0	107.6	R78 G82	R78-T80 PolarHBondContact O-N 3.4Å; T80-G82 PolarHBondContact O-N 3.15Å; T80-G82 VanDerWaalsContact O-N 3.12Å
81	E	25.7	Very low	30.6	Very low	144 Å²	144	104.8 Å²	104.8	67%	0.673	57%	0.57	S	S	*	*			trans	-59.4	107.6	-176.6	-72.9	169.8	150.2	0	0	110.9	H3 S79	H3-E81 IonicContact CG-OE1 3.58Å; H3-E81 IonicContact ND1-OE1 3.44Å; H3-E81 PolarHBondContact ND1-OE1 2.71Å; H3-E81 IonicContact ND1-OE2 3.38Å; S79-E81 PolarHBondContact O-N 2.85Å
82	G	27.2	Very low	31.5	Very low	63 Å²	63	101.2 Å²	101.2	65%	0.649	54%	0.544	S	S	*	.			trans	-116.4	115.4	154.5	0	0	0	0	0	106.8	T80 A84	T80-G82 PolarHBondContact O-N 3.15Å; T80-G82 VanDerWaalsContact O-N 3.12Å; G82-A84 PolarHBondContact O-N 2.95Å
83	R	30.1	Very low	32.4	Very low	252 Å²	252	94.7 Å²	94.7	95%	0.951	53%	0.526	S	S	*	.			trans	-39.9	95.3	178.9	-124.6	-178.3	-151.4	168.1	4	111.7
84	A	33.4	Very low	33.3	Very low	57 Å²	57	97.7 Å²	97.7	47%	0.471	52%	0.524	S	S	.	.			trans	-122.9	89.4	166.4	0	0	0	0	0	107.2	G82	G82-A84 PolarHBondContact O-N 2.95Å
85	H	34.7	Very low	34.2	Very low	167 Å²	167	94.5 Å²	94.5	77%	0.773	50%	0.502	S	S	*	.			trans	-41.4	144.9	155.4	-79.9	-2.1	0	0	0	109.1	S87	H85-S87 PolarHBondContact O-N 3.31Å
86	G	38.5	Very low	35.2	Very low	59 Å²	59	94 Å²	94	61%	0.608	50%	0.502	S	S	*	.	S	Bend	trans	-61.9	39.3	-167.2	0	0	0	0	0	117.6	Q195	G86-Q195 PolarHBondContact O-NE2 3.09Å
87	S	39.2	Very low	36.5	Very low	58 Å²	58	92.2 Å²	92.2	41%	0.406	49%	0.489	S	S	.	.	S	Bend	trans	-72	155.7	165	85.2	0	0	0	0	110.1	H85 Q89 G90	H85-S87 PolarHBondContact O-N 3.31Å; S87-Q89 PolarHBondContact O-N 2.87Å; S87-G90 PolarHBondContact O-N 2.84Å
88	H	38.1	Very low	37.5	Very low	76 Å²	76	91.6 Å²	91.6	35%	0.352	49%	0.486	S	S	.	.	H	α-helix	trans	-39.2	-36.3	173.9	-175.5	-101	0	0	0	113.8	G90 I91 V92 V189	H88-G90 VanDerWaalsContact C-N 3.35Å; H88-G90 PolarHBondContact O-N 2.86Å; H88-I91 PolarHBondContact O-N 3.4Å; H88-V92 WeakPolarHBondContact O-CG2 3.26Å; H88-V92 PolarHBondContact O-N 2.74Å; H88-V92 VanDerWaalsContact O-N 3.07Å; H88-V189 PolarHBondContact NE2-O 3.42Å
89	Q	39.7	Very low	38.4	Very low	147 Å²	147	88.5 Å²	88.5	69%	0.687	47%	0.474	S	S	*	.	H	α-helix	trans	-60.7	-37.6	177	-73.2	-179	-27.1	0	0	113.5	S87 I91 V92 A93	S87-Q89 PolarHBondContact O-N 2.87Å; Q89-I91 VanDerWaalsContact C-N 3.3Å; Q89-I91 PolarHBondContact O-N 2.81Å; Q89-V92 PolarHBondContact O-N 2.86Å; Q89-A93 VanDerWaalsContact O-CB 3.26Å; Q89-A93 WeakPolarHBondContact O-CB 3.44Å; Q89-A93 PolarHBondContact O-N 3.42Å
90	G	39.6	Very low	39.1	Very low	7 Å²	7	90.6 Å²	90.6	7%	0.072	48%	0.475	C	S	.	.	H	α-helix	trans	-68.6	-27.3	179.2	0	0	0	0	0	113.5	S87 H88 R94	S87-G90 PolarHBondContact O-N 2.84Å; H88-G90 VanDerWaalsContact C-N 3.35Å; H88-G90 PolarHBondContact O-N 2.86Å; G90-R94 VanDerWaalsContact O-CG 3.29Å; G90-R94 WeakPolarHBondContact O-CG 3.29Å; G90-R94 PolarHBondContact O-N 3.07Å; G90-R94 PolarHBondContact O-NE 2.86Å
91	I	42	Very low	39.9	Very low	73 Å²	73	86.2 Å²	86.2	37%	0.374	45%	0.45	S	S	.	.	H	α-helix	trans	-79.6	-45.4	174.2	-57.6	176.3	0	0	0	109.6	H88 Q89 A93 R94 V95 V189	H88-I91 PolarHBondContact O-N 3.4Å; Q89-I91 VanDerWaalsContact C-N 3.3Å; Q89-I91 PolarHBondContact O-N 2.81Å; I91-A93 VanDerWaalsContact C-N 3.32Å; I91-A93 PolarHBondContact O-N 2.9Å; I91-R94 WeakPolarHBondContact O-CB 3.4Å; I91-R94 PolarHBondContact O-N 3.19Å; I91-R94 VanDerWaalsContact O-N 3.09Å; I91-V95 WeakPolarHBondContact O-CG2 3.39Å; I91-V95 PolarHBondContact O-N 3.44Å; I91-V189 HydrophobicContact CB-CG1 4.31Å; I91-V189 HydrophobicContact CG2-CG1 3.68Å; I91-V189 HydrophobicContact CG2-CG2 4.03Å
92	V	43.4	Very low	40.7	Very low	35 Å²	35	80.6 Å²	80.6	21%	0.212	42%	0.423	C	S	.	.	H	α-helix	trans	-57.4	-46.7	175.7	174.3	0	0	0	0	110.6	H88 Q89 R94 V95 I96 V189	H88-V92 WeakPolarHBondContact O-CG2 3.26Å; H88-V92 PolarHBondContact O-N 2.74Å; H88-V92 VanDerWaalsContact O-N 3.07Å; Q89-V92 PolarHBondContact O-N 2.86Å; V92-R94 VanDerWaalsContact C-N 3.28Å; V92-R94 PolarHBondContact O-N 3.26Å; V92-V95 PolarHBondContact O-N 2.94Å; V92-V95 VanDerWaalsContact O-N 3.15Å; V92-I96 HydrophobicContact CG1-CD1 3.64Å; V92-I96 HydrophobicContact CG1-CG1 4.26Å; V92-I96 VanDerWaalsContact O-CG1 3.31Å; V92-I96 WeakPolarHBondContact O-CG1 3.5Å; V92-I96 PolarHBondContact O-N 3.47Å; V92-V189 HydrophobicContact CG2-CG1 3.76Å
93	A	42.8	Very low	41.3	Very low	56 Å²	56	80.3 Å²	80.3	46%	0.463	41%	0.411	S	S	.	.	H	α-helix	trans	-59.2	-37.5	176.3	0	0	0	0	0	112.4	Q89 I91 K97	Q89-A93 VanDerWaalsContact O-CB 3.26Å; Q89-A93 WeakPolarHBondContact O-CB 3.44Å; Q89-A93 PolarHBondContact O-N 3.42Å; I91-A93 VanDerWaalsContact C-N 3.32Å; I91-A93 PolarHBondContact O-N 2.9Å; A93-K97 VanDerWaalsContact O-CB 3.24Å; A93-K97 WeakPolarHBondContact O-CB 3.26Å; A93-K97 PolarHBondContact O-N 3.04Å
94	R	44	Very low	41.6	Very low	104 Å²	104	73.7 Å²	73.7	39%	0.392	39%	0.394	S	S	.	.	H	α-helix	trans	-67.2	-42.6	174.6	-76.2	174.9	-141.3	-120	6	112.5	R6 G90 I91 V92 K97 M98	R6-R94 VanDerWaalsContact CD-NH1 3.32Å; G90-R94 VanDerWaalsContact O-CG 3.29Å; G90-R94 WeakPolarHBondContact O-CG 3.29Å; G90-R94 PolarHBondContact O-N 3.07Å; G90-R94 PolarHBondContact O-NE 2.86Å; I91-R94 WeakPolarHBondContact O-CB 3.4Å; I91-R94 PolarHBondContact O-N 3.19Å; I91-R94 VanDerWaalsContact O-N 3.09Å; V92-R94 VanDerWaalsContact C-N 3.28Å; V92-R94 PolarHBondContact O-N 3.26Å; R94-K97 PolarHBondContact O-N 3.41Å; R94-M98 WeakPolarHBondContact O-CB 3.47Å; R94-M98 PolarHBondContact O-N 3.29Å
95	V	45.2	Very low	42.2	Very low	15 Å²	15	73 Å²	73	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-66.7	-42.3	178.2	178.9	0	0	0	0	110.6	I91 V92 M98 R99 V185 T186 V189	I91-V95 WeakPolarHBondContact O-CG2 3.39Å; I91-V95 PolarHBondContact O-N 3.44Å; V92-V95 PolarHBondContact O-N 2.94Å; V92-V95 VanDerWaalsContact O-N 3.15Å; V95-M98 PolarHBondContact O-N 3.14Å; V95-R99 WeakPolarHBondContact O-CB 3.27Å; V95-R99 PolarHBondContact O-N 3.45Å; V95-V185 HydrophobicContact CG1-CG1 4.21Å; V95-V185 HydrophobicContact CG2-CG1 4.25Å; V95-T186 HydrophobicContact CG1-CG2 3.37Å; V95-V189 HydrophobicContact CG2-CG1 4.46Å; V95-V189 HydrophobicContact CG2-CG2 4.09Å
96	I	47.5	Very low	42.2	Very low	85 Å²	85	66.6 Å²	66.6	44%	0.436	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-46	174.2	-66.6	171.3	0	0	0	110.2	V92 M98 R99 H100	V92-I96 HydrophobicContact CG1-CD1 3.64Å; V92-I96 HydrophobicContact CG1-CG1 4.26Å; V92-I96 VanDerWaalsContact O-CG1 3.31Å; V92-I96 WeakPolarHBondContact O-CG1 3.5Å; V92-I96 PolarHBondContact O-N 3.47Å; I96-M98 VanDerWaalsContact C-N 3.33Å; I96-M98 PolarHBondContact O-N 3.39Å; I96-R99 WeakPolarHBondContact O-CA 3.28Å; I96-R99 WeakPolarHBondContact O-CB 3.48Å; I96-R99 PolarHBondContact O-N 3.04Å; I96-R99 VanDerWaalsContact O-N 3.1Å; I96-H100 PolarHBondContact O-CD2 2.99Å; I96-H100 PolarHBondContact O-N 3.39Å
97	K	51.1	Low	42.1	Very low	80 Å²	80	68 Å²	68	35%	0.348	35%	0.349	S	S	.	.	H	α-helix	trans	-63.5	-38.2	177.3	-172.7	167.8	179.3	172.9	0	112.3	R78 A93 R94 H100 S101	R78-K97 PolarHBondContact O-NZ 3.25Å; A93-K97 VanDerWaalsContact O-CB 3.24Å; A93-K97 WeakPolarHBondContact O-CB 3.26Å; A93-K97 PolarHBondContact O-N 3.04Å; R94-K97 PolarHBondContact O-N 3.41Å; K97-H100 PolarHBondContact O-N 2.77Å; K97-S101 PolarHBondContact O-N 2.96Å
98	M	47	Very low	42.1	Very low	39 Å²	39	68.8 Å²	68.8	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-43	171.4	-108.5	-175.3	-106.3	0	0	111.4	V8 L77 R94 V95 I96 S101 F102 F182	V8-M98 HydrophobicContact CB-CE 4.23Å; V8-M98 HydrophobicContact CG1-CE 3.91Å; V8-M98 HydrophobicContact CG1-SD 4.2Å; V8-M98 HydrophobicContact CG2-CE 3.86Å; L77-M98 HydrophobicContact CD1-CG 3.98Å; R94-M98 WeakPolarHBondContact O-CB 3.47Å; R94-M98 PolarHBondContact O-N 3.29Å; V95-M98 PolarHBondContact O-N 3.14Å; I96-M98 VanDerWaalsContact C-N 3.33Å; I96-M98 PolarHBondContact O-N 3.39Å; M98-S101 PolarHBondContact O-N 3.06Å; M98-F102 WeakPolarHBondContact O-CB 3.37Å; M98-F102 PolarHBondContact O-N 3.45Å; M98-F182 HydrophobicContact CB-CE1 3.93Å; M98-F182 HydrophobicContact CB-CZ 4.18Å
99	R	44	Very low	42.2	Very low	149 Å²	149	66.8 Å²	66.8	56%	0.562	35%	0.349	S	S	*	.	H	α-helix	trans	-58.7	-47.9	175	-178.6	-178.2	169.1	175.2	-2.8	110.8	V95 I96 F102 C103 F182	V95-R99 WeakPolarHBondContact O-CB 3.27Å; V95-R99 PolarHBondContact O-N 3.45Å; I96-R99 WeakPolarHBondContact O-CA 3.28Å; I96-R99 WeakPolarHBondContact O-CB 3.48Å; I96-R99 PolarHBondContact O-N 3.04Å; I96-R99 VanDerWaalsContact O-N 3.1Å; R99-F102 PolarHBondContact O-N 3.11Å; R99-C103 WeakPolarHBondContact O-CB 3.47Å; R99-C103 PolarHBondContact O-N 3.4Å; R99-C103 PolarHBondContact O-SG 2.95Å; R99-F182 HydrophobicContact CB-CD1 4.32Å; R99-F182 HydrophobicContact CB-CE1 4.3Å
100	H	41	Very low	42.2	Very low	118 Å²	118	62.9 Å²	62.9	55%	0.546	33%	0.333	S	S	.	.	H	α-helix	trans	-60.4	-49.7	176.9	-86.5	-99.6	0	0	0	112.3	I96 K97 F102 C103 D104	I96-H100 PolarHBondContact O-CD2 2.99Å; I96-H100 PolarHBondContact O-N 3.39Å; K97-H100 PolarHBondContact O-N 2.77Å; H100-F102 PolarHBondContact O-N 2.83Å; H100-C103 CarbonylContact O-C 3.57Å; H100-C103 WeakPolarHBondContact O-CA 3.46Å; H100-C103 WeakPolarHBondContact O-CB 3.19Å; H100-C103 PolarHBondContact O-N 3.26Å; H100-C103 VanDerWaalsContact O-N 3.07Å; H100-D104 PolarHBondContact O-N 3.41Å
101	S	45.1	Very low	42.2	Very low	27 Å²	27	70.2 Å²	70.2	19%	0.189	36%	0.358	C	S	.	.	H	α-helix	trans	-63.6	-31.7	178.2	-179.1	0	0	0	0	112.7	K97 M98 I105	K97-S101 PolarHBondContact O-N 2.96Å; M98-S101 PolarHBondContact O-N 3.06Å; S101-I105 WeakPolarHBondContact O-CD1 3.43Å; S101-I105 WeakPolarHBondContact O-CG1 3.48Å; S101-I105 PolarHBondContact O-N 3.5Å
102	F	41.6	Very low	42.4	Very low	25 Å²	25	69.5 Å²	69.5	11%	0.11	36%	0.359	C	S	.	.	H	α-helix	trans	-71.1	-40.9	172	-111	-105.1	0	0	0	112.2	V10 R12 M98 R99 H100 D104 I105 F106 V178 F182	V10-F102 HydrophobicContact CG1-CE2 4.35Å; V10-F102 HydrophobicContact CG1-CZ 4.15Å; V10-F102 HydrophobicContact CG2-CE2 4.3Å; R12-F102 VanDerWaalsContact NH2-CD1 3.32Å; M98-F102 WeakPolarHBondContact O-CB 3.37Å; M98-F102 PolarHBondContact O-N 3.45Å; R99-F102 PolarHBondContact O-N 3.11Å; H100-F102 PolarHBondContact O-N 2.83Å; F102-D104 VanDerWaalsContact C-N 3.26Å; F102-D104 PolarHBondContact O-N 3.05Å; F102-I105 PolarHBondContact O-N 2.77Å; F102-I105 VanDerWaalsContact O-N 3.12Å; F102-F106 HydrophobicContact CD1-CD2 4.04Å; F102-F106 HydrophobicContact CD1-CE2 4.11Å; F102-F106 HydrophobicContact CE1-CE2 4.33Å; F102-F106 WeakPolarHBondContact O-CB 3.15Å; F102-F106 PolarHBondContact O-N 3.27Å; F102-V178 HydrophobicContact CD1-CG1 3.45Å; F102-V178 VanDerWaalsContact CD1-CG1 3.45Å; F102-V178 HydrophobicContact CE1-CG1 3.48Å; F102-V178 VanDerWaalsContact CE1-CG1 3.48Å; F102-V178 HydrophobicContact CE1-CG2 4.2Å; F102-F182 HydrophobicContact CB-CE2 4.08Å; F102-F182 HydrophobicContact CB-CZ 4.14Å; F102-F182 AromaticContact CD1-CE2 3.71Å; F102-F182 HydrophobicContact CD1-CE2 3.71Å; F102-F182 HydrophobicContact CD1-CZ 4.41Å; F102-F182 AromaticContact CD2-CE2 3.84Å; F102-F182 HydrophobicContact CD2-CE2 3.84Å; F102-F182 AromaticContact CD2-CZ 3.75Å; F102-F182 HydrophobicContact CD2-CZ 3.75Å; F102-F182 AromaticContact CE1-CE2 3.9Å; F102-F182 HydrophobicContact CE1-CE2 3.9Å; F102-F182 HydrophobicContact CE2-CE2 4.11Å; F102-F182 HydrophobicContact CE2-CZ 4.19Å; F102-F182 AromaticContact CG-CE2 3.62Å; F102-F182 HydrophobicContact CG-CE2 3.62Å; F102-F182 AromaticContact CG-CZ 3.87Å; F102-F182 HydrophobicContact CG-CZ 3.87Å; F102-F182 HydrophobicContact CZ-CE2 4.12Å
103	C	39.7	Very low	42.4	Very low	57 Å²	57	68.2 Å²	68.2	39%	0.385	35%	0.351	S	S	.	.	H	α-helix	trans	-58.8	-39.7	172.3	-70.7	0	0	0	0	110.5	R99 H100 I105 F106 V107	R99-C103 WeakPolarHBondContact O-CB 3.47Å; R99-C103 PolarHBondContact O-N 3.4Å; R99-C103 PolarHBondContact O-SG 2.95Å; H100-C103 CarbonylContact O-C 3.57Å; H100-C103 WeakPolarHBondContact O-CA 3.46Å; H100-C103 WeakPolarHBondContact O-CB 3.19Å; H100-C103 PolarHBondContact O-N 3.26Å; H100-C103 VanDerWaalsContact O-N 3.07Å; C103-I105 PolarHBondContact O-N 2.87Å; C103-F106 CarbonylContact O-C 3.56Å; C103-F106 PolarHBondContact O-N 2.87Å; C103-F106 VanDerWaalsContact O-N 3.13Å; C103-V107 VanDerWaalsContact O-CB 3.31Å; C103-V107 WeakPolarHBondContact O-CB 3.34Å; C103-V107 WeakPolarHBondContact O-CG2 3.35Å; C103-V107 PolarHBondContact O-N 3.42Å
104	D	37	Very low	42.7	Very low	113 Å²	113	69.8 Å²	69.8	60%	0.604	35%	0.349	S	S	*	.	H	α-helix	trans	-63.9	-26.7	176.6	-63.6	-33.1	0	0	0	113.1	H100 F102 P108	H100-D104 PolarHBondContact O-N 3.41Å; F102-D104 VanDerWaalsContact C-N 3.26Å; F102-D104 PolarHBondContact O-N 3.05Å; D104-P108 WeakPolarHBondContact O-CD 3.49Å; D104-P108 VanDerWaalsContact O-CG 3.24Å; D104-P108 WeakPolarHBondContact O-CG 3.35Å
105	I	45.1	Very low	42.9	Very low	44 Å²	44	70.7 Å²	70.7	23%	0.226	36%	0.357	C	S	.	.	H	α-helix	trans	-84.4	-36.4	173.7	-59.2	160.5	0	0	0	110.9	F75 S101 F102 C103 P108	F75-I105 HydrophobicContact CD1-CD1 3.74Å; F75-I105 HydrophobicContact CD1-CG1 4.27Å; F75-I105 HydrophobicContact CD2-CD1 3.79Å; F75-I105 HydrophobicContact CE1-CD1 3.44Å; F75-I105 VanDerWaalsContact CE1-CD1 3.44Å; F75-I105 HydrophobicContact CE1-CG1 3.56Å; F75-I105 HydrophobicContact CE2-CD1 3.49Å; F75-I105 VanDerWaalsContact CE2-CD1 3.49Å; F75-I105 HydrophobicContact CE2-CG1 4.2Å; F75-I105 HydrophobicContact CG-CD1 3.91Å; F75-I105 HydrophobicContact CZ-CD1 3.31Å; F75-I105 HydrophobicContact CZ-CG1 3.52Å; F75-I105 HydrophobicContact CZ-CG2 4.24Å; S101-I105 WeakPolarHBondContact O-CD1 3.43Å; S101-I105 WeakPolarHBondContact O-CG1 3.48Å; S101-I105 PolarHBondContact O-N 3.5Å; F102-I105 PolarHBondContact O-N 2.77Å; F102-I105 VanDerWaalsContact O-N 3.12Å; C103-I105 PolarHBondContact O-N 2.87Å; I105-P108 WeakPolarHBondContact O-CD 3.39Å
106	F	34.9	Very low	43.1	Very low	31 Å²	31	72 Å²	72	14%	0.136	36%	0.363	C	S	.	.	H	α-helix	trans	-81.4	-29.7	-177.1	-102.9	-80.9	0	0	0	113.7	F102 C103 P108 A109 L110 S175 V178	F102-F106 HydrophobicContact CD1-CD2 4.04Å; F102-F106 HydrophobicContact CD1-CE2 4.11Å; F102-F106 HydrophobicContact CE1-CE2 4.33Å; F102-F106 WeakPolarHBondContact O-CB 3.15Å; F102-F106 PolarHBondContact O-N 3.27Å; C103-F106 CarbonylContact O-C 3.56Å; C103-F106 PolarHBondContact O-N 2.87Å; C103-F106 VanDerWaalsContact O-N 3.13Å; F106-P108 VanDerWaalsContact C-N 3.35Å; F106-A109 HydrophobicContact CD1-CB 4.22Å; F106-A109 CarbonylContact O-C 3.54Å; F106-A109 WeakPolarHBondContact O-CA 3.4Å; F106-A109 WeakPolarHBondContact O-CB 3.25Å; F106-A109 PolarHBondContact O-N 3.31Å; F106-L110 WeakPolarHBondContact O-CB 3.23Å; F106-L110 PolarHBondContact O-N 3.44Å; F106-S175 VanDerWaalsContact CE1-CB 3.43Å; F106-V178 HydrophobicContact CD2-CG1 4.36Å; F106-V178 HydrophobicContact CE2-CB 4.01Å; F106-V178 HydrophobicContact CE2-CG1 3.84Å; F106-V178 HydrophobicContact CE2-CG2 3.85Å; F106-V178 HydrophobicContact CZ-CB 4.19Å; F106-V178 HydrophobicContact CZ-CG2 3.96Å
107	V	37.4	Very low	43.2	Very low	89 Å²	89	69 Å²	69	54%	0.539	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-43.4	175.3	167.6	0	0	0	0	110.4	C103 L110 R111	C103-V107 VanDerWaalsContact O-CB 3.31Å; C103-V107 WeakPolarHBondContact O-CB 3.34Å; C103-V107 WeakPolarHBondContact O-CG2 3.35Å; C103-V107 PolarHBondContact O-N 3.42Å; V107-L110 PolarHBondContact O-N 3.42Å; V107-R111 VanDerWaalsContact O-CB 3.22Å; V107-R111 WeakPolarHBondContact O-CB 3.32Å; V107-R111 PolarHBondContact O-N 3.1Å
108	P	38.3	Very low	43.1	Very low	74 Å²	74	73.1 Å²	73.1	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-59.5	-42.9	167	-25	31.5	0	0	0	113.4	D104 I105 F106 R111 C112	D104-P108 WeakPolarHBondContact O-CD 3.49Å; D104-P108 VanDerWaalsContact O-CG 3.24Å; D104-P108 WeakPolarHBondContact O-CG 3.35Å; I105-P108 WeakPolarHBondContact O-CD 3.39Å; F106-P108 VanDerWaalsContact C-N 3.35Å; P108-R111 CarbonylContact O-C 3.6Å; P108-R111 PolarHBondContact O-N 2.85Å; P108-C112 VanDerWaalsContact O-CB 3.3Å; P108-C112 WeakPolarHBondContact O-CB 3.28Å; P108-C112 PolarHBondContact O-N 3.42Å
109	A	40.2	Very low	43.2	Very low	35 Å²	35	72.6 Å²	72.6	29%	0.289	37%	0.369	S	S	.	.	H	α-helix	trans	-66.3	-37.3	179.2	0	0	0	0	0	112.6	F106 C112 N113	F106-A109 HydrophobicContact CD1-CB 4.22Å; F106-A109 CarbonylContact O-C 3.54Å; F106-A109 WeakPolarHBondContact O-CA 3.4Å; F106-A109 WeakPolarHBondContact O-CB 3.25Å; F106-A109 PolarHBondContact O-N 3.31Å; A109-C112 CarbonylContact O-C 3.57Å; A109-C112 VanDerWaalsContact O-CB 3.29Å; A109-C112 WeakPolarHBondContact O-CB 3.49Å; A109-C112 PolarHBondContact O-N 2.92Å; A109-N113 PolarHBondContact O-N 2.88Å
110	L	39.4	Very low	43.5	Very low	65 Å²	65	66.1 Å²	66.1	34%	0.34	35%	0.346	S	S	.	.	H	α-helix	trans	-72	-39.5	174.9	-165.3	76.2	0	0	0	110.8	F106 V107 C112 N113 Q114	F106-L110 WeakPolarHBondContact O-CB 3.23Å; F106-L110 PolarHBondContact O-N 3.44Å; V107-L110 PolarHBondContact O-N 3.42Å; L110-C112 PolarHBondContact O-N 3.37Å; L110-N113 WeakPolarHBondContact O-CB 3.43Å; L110-N113 PolarHBondContact O-N 3.41Å; L110-N113 VanDerWaalsContact O-N 3.11Å; L110-Q114 PolarHBondContact O-N 3.3Å
111	R	39.5	Very low	44.1	Very low	161 Å²	161	63.2 Å²	63.2	61%	0.608	34%	0.343	S	S	*	.	H	α-helix	trans	-60.3	-38	168.8	-178.9	179.6	-79.1	-142.4	-1.7	110.6	V107 P108 Q114 Q115	V107-R111 VanDerWaalsContact O-CB 3.22Å; V107-R111 WeakPolarHBondContact O-CB 3.32Å; V107-R111 PolarHBondContact O-N 3.1Å; P108-R111 CarbonylContact O-C 3.6Å; P108-R111 PolarHBondContact O-N 2.85Å; R111-Q114 PolarHBondContact O-N 2.77Å; R111-Q115 WeakPolarHBondContact O-CB 3.43Å; R111-Q115 WeakPolarHBondContact O-CG 3.38Å; R111-Q115 PolarHBondContact O-N 2.94Å
112	C	45.4	Very low	44.3	Very low	58 Å²	58	69.3 Å²	69.3	39%	0.392	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-39.1	173.7	-141.1	0	0	0	0	110.9	P108 A109 L110 Q115 L116	P108-C112 VanDerWaalsContact O-CB 3.3Å; P108-C112 WeakPolarHBondContact O-CB 3.28Å; P108-C112 PolarHBondContact O-N 3.42Å; A109-C112 CarbonylContact O-C 3.57Å; A109-C112 VanDerWaalsContact O-CB 3.29Å; A109-C112 WeakPolarHBondContact O-CB 3.49Å; A109-C112 PolarHBondContact O-N 2.92Å; L110-C112 PolarHBondContact O-N 3.37Å; C112-Q115 PolarHBondContact O-N 2.89Å; C112-L116 WeakPolarHBondContact O-CB 3.42Å; C112-L116 PolarHBondContact O-N 3.41Å
113	N	43.7	Very low	44.8	Very low	7 Å²	7	71.1 Å²	71.1	4%	0.037	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-44	172	-77.2	-26.5	0	0	0	112	A109 L110 L116 A117 L168 C171	A109-N113 PolarHBondContact O-N 2.88Å; L110-N113 WeakPolarHBondContact O-CB 3.43Å; L110-N113 PolarHBondContact O-N 3.41Å; L110-N113 VanDerWaalsContact O-N 3.11Å; N113-L116 PolarHBondContact O-N 3.34Å; N113-A117 VanDerWaalsContact O-CB 3.29Å; N113-A117 WeakPolarHBondContact O-CB 3.42Å; N113-A117 PolarHBondContact O-N 3.38Å; N113-L168 HydrophobicContact CB-CD2 4.45Å; N113-C171 WeakPolarHBondContact OD1-CB 3.39Å; N113-C171 PolarHBondContact OD1-SG 3.41Å
114	Q	50.1	Low	45.5	Very low	90 Å²	90	70.5 Å²	70.5	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-41.3	175.5	-81	-176.5	-10	0	0	111.8	L110 R111 L116 A117 R118	L110-Q114 PolarHBondContact O-N 3.3Å; R111-Q114 PolarHBondContact O-N 2.77Å; Q114-L116 VanDerWaalsContact C-N 3.35Å; Q114-A117 PolarHBondContact O-N 3.21Å; Q114-R118 WeakPolarHBondContact O-CB 3.35Å; Q114-R118 VanDerWaalsContact O-CG 3.32Å; Q114-R118 WeakPolarHBondContact O-CG 3.05Å; Q114-R118 PolarHBondContact O-N 2.78Å
115	Q	47.7	Very low	46.6	Very low	122 Å²	122	68.1 Å²	68.1	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-66.5	-37.5	174.6	-75.2	-178.1	26.3	0	0	111.8	R111 C112 R118 G119	R111-Q115 WeakPolarHBondContact O-CB 3.43Å; R111-Q115 WeakPolarHBondContact O-CG 3.38Å; R111-Q115 PolarHBondContact O-N 2.94Å; C112-Q115 PolarHBondContact O-N 2.89Å; Q115-R118 PolarHBondContact O-N 2.74Å; Q115-G119 WeakPolarHBondContact O-CA 3.17Å; Q115-G119 PolarHBondContact O-N 3.04Å
116	L	49.2	Very low	47.5	Very low	42 Å²	42	75.6 Å²	75.6	22%	0.22	40%	0.396	C	S	.	.	H	α-helix	trans	-66.7	-44.5	175.4	-166.5	73.6	0	0	0	110.2	L65 C112 N113 Q114 R118 G119 V120 K167 L168	L65-L116 HydrophobicContact CD2-CD1 4.4Å; C112-L116 WeakPolarHBondContact O-CB 3.42Å; C112-L116 PolarHBondContact O-N 3.41Å; N113-L116 PolarHBondContact O-N 3.34Å; Q114-L116 VanDerWaalsContact C-N 3.35Å; L116-R118 PolarHBondContact O-N 3.18Å; L116-G119 CarbonylContact O-C 3.56Å; L116-G119 WeakPolarHBondContact O-CA 3.04Å; L116-G119 PolarHBondContact O-N 2.89Å; L116-V120 WeakPolarHBondContact O-CG2 3.36Å; L116-V120 PolarHBondContact O-N 2.86Å; L116-K167 HydrophobicContact CD2-CB 4.02Å; L116-L168 HydrophobicContact CD2-CD2 4.12Å; L116-L168 HydrophobicContact CD2-CG 4.13Å
117	A	50.7	Low	48.9	Very low	24 Å²	24	76.7 Å²	76.7	20%	0.198	40%	0.402	C	S	.	.	H	α-helix	trans	-63.7	-38.4	175.6	0	0	0	0	0	112.4	N113 Q114 V120 A121	N113-A117 VanDerWaalsContact O-CB 3.29Å; N113-A117 WeakPolarHBondContact O-CB 3.42Å; N113-A117 PolarHBondContact O-N 3.38Å; Q114-A117 PolarHBondContact O-N 3.21Å; A117-V120 WeakPolarHBondContact O-CB 3.19Å; A117-V120 PolarHBondContact O-N 2.71Å; A117-A121 PolarHBondContact O-N 2.95Å
118	R	48.5	Very low	49.9	Very low	166 Å²	166	75 Å²	75	63%	0.626	39%	0.39	S	S	*	.	H	α-helix	trans	-68.5	-38.4	171.2	-75.5	178.5	176.8	167.3	0.3	112.2	Q114 Q115 L116 V120 A121 M122	Q114-R118 WeakPolarHBondContact O-CB 3.35Å; Q114-R118 VanDerWaalsContact O-CG 3.32Å; Q114-R118 WeakPolarHBondContact O-CG 3.05Å; Q114-R118 PolarHBondContact O-N 2.78Å; Q115-R118 PolarHBondContact O-N 2.74Å; L116-R118 PolarHBondContact O-N 3.18Å; R118-V120 VanDerWaalsContact C-N 3.34Å; R118-A121 PolarHBondContact O-N 2.8Å; R118-M122 PolarHBondContact O-N 3.01Å
119	G	47.8	Very low	51	Low	27 Å²	27	77 Å²	77	28%	0.278	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-44.2	173.8	0	0	0	0	0	111.2	Q115 L116 A121 M122 S123	Q115-G119 WeakPolarHBondContact O-CA 3.17Å; Q115-G119 PolarHBondContact O-N 3.04Å; L116-G119 CarbonylContact O-C 3.56Å; L116-G119 WeakPolarHBondContact O-CA 3.04Å; L116-G119 PolarHBondContact O-N 2.89Å; G119-A121 VanDerWaalsContact C-N 3.31Å; G119-A121 PolarHBondContact O-N 3Å; G119-M122 CarbonylContact O-C 3.44Å; G119-M122 PolarHBondContact O-N 3.37Å; G119-S123 WeakPolarHBondContact O-CB 3.33Å; G119-S123 PolarHBondContact O-N 3.25Å; G119-S123 PolarHBondContact O-OG 2.87Å
120	V	52	Low	52	Low	13 Å²	13	79.6 Å²	79.6	8%	0.079	40%	0.402	C	S	.	.	H	α-helix	trans	-55.6	-44.6	175.1	172.1	0	0	0	0	111.4	L116 A117 R118 M122 L124 L128 M164	L116-V120 WeakPolarHBondContact O-CG2 3.36Å; L116-V120 PolarHBondContact O-N 2.86Å; A117-V120 WeakPolarHBondContact O-CB 3.19Å; A117-V120 PolarHBondContact O-N 2.71Å; R118-V120 VanDerWaalsContact C-N 3.34Å; V120-M122 PolarHBondContact O-N 3.1Å; V120-L124 PolarHBondContact O-N 3.16Å; V120-L128 HydrophobicContact CG1-CD1 3.51Å; V120-L128 HydrophobicContact CG1-CD2 4.29Å; V120-M164 HydrophobicContact CB-CE 4.38Å; V120-M164 HydrophobicContact CB-SD 4.19Å; V120-M164 HydrophobicContact CG1-CE 4.03Å; V120-M164 HydrophobicContact CG1-SD 4.45Å; V120-M164 HydrophobicContact CG2-CB 3.94Å; V120-M164 HydrophobicContact CG2-CE 4.11Å; V120-M164 HydrophobicContact CG2-CG 4.24Å; V120-M164 HydrophobicContact CG2-SD 3.46Å; V120-M164 WeakPolarHBondContact CG2-SD 3.28Å
121	A	51.9	Low	53	Low	58 Å²	58	78 Å²	78	48%	0.479	39%	0.393	S	S	.	.	H	α-helix	trans	-64.3	-28.8	177.7	0	0	0	0	0	112.7	A117 R118 G119	A117-A121 PolarHBondContact O-N 2.95Å; R118-A121 PolarHBondContact O-N 2.8Å; G119-A121 VanDerWaalsContact C-N 3.31Å; G119-A121 PolarHBondContact O-N 3Å
122	M	50.7	Low	53.9	Low	155 Å²	155	76.7 Å²	76.7	76%	0.764	39%	0.394	S	S	*	.	H	α-helix	trans	-91.2	-34.9	178.7	-75.6	-163.2	-83.5	0	0	114	R118 G119 V120	R118-M122 PolarHBondContact O-N 3.01Å; G119-M122 CarbonylContact O-C 3.44Å; G119-M122 PolarHBondContact O-N 3.37Å; V120-M122 PolarHBondContact O-N 3.1Å
123	S	50.9	Low	54.6	Low	63 Å²	63	77.8 Å²	77.8	44%	0.441	40%	0.403	S	S	.	.	H	α-helix	trans	-86.6	-29.5	-169.9	58.8	0	0	0	0	113.9	G119	G119-S123 WeakPolarHBondContact O-CB 3.33Å; G119-S123 PolarHBondContact O-N 3.25Å; G119-S123 PolarHBondContact O-OG 2.87Å
124	L	55.7	Low	55.6	Low	44 Å²	44	81 Å²	81	23%	0.23	42%	0.416	C	S	.	.			trans	-140.4	58.6	177.3	-75.4	101.2	0	0	0	112.6	V120 Y126 E127 L128 M164	V120-L124 PolarHBondContact O-N 3.16Å; L124-Y126 VanDerWaalsContact C-N 3.26Å; L124-Y126 PolarHBondContact O-N 2.99Å; L124-E127 HydrophobicContact CB-CB 4.37Å; L124-E127 HydrophobicContact CD2-CB 4.22Å; L124-E127 HydrophobicContact CD2-CG 3.82Å; L124-E127 VanDerWaalsContact CD2-OE1 3.29Å; L124-E127 WeakPolarHBondContact CD2-OE1 3.2Å; L124-E127 WeakPolarHBondContact CD2-OE2 2.92Å; L124-L128 WeakPolarHBondContact O-CB 3.38Å; L124-L128 PolarHBondContact O-N 3.44Å; L124-L128 VanDerWaalsContact O-N 3.09Å; L124-M164 HydrophobicContact CB-CE 4.3Å; L124-M164 HydrophobicContact CD1-CE 3.71Å
125	P	60.4	Low	56.3	Low	62 Å²	62	82.2 Å²	82.2	40%	0.403	43%	0.429	S	S	.	.	H	α-helix	trans	-61.5	-35.6	178.6	25.1	-33.2	0	0	0	111.9	L128 L129	P125-L128 PolarHBondContact O-N 3.07Å; P125-L129 WeakPolarHBondContact O-CB 3.44Å; P125-L129 PolarHBondContact O-N 2.79Å
126	Y	64	Low	56.8	Low	201 Å²	201	83.3 Å²	83.3	79%	0.788	43%	0.434	S	S	*	.	H	α-helix	trans	-65.7	-50.7	-179.5	-71.7	-81.8	0	0	0	112.7	L124 L128 L129 E130	L124-Y126 VanDerWaalsContact C-N 3.26Å; L124-Y126 PolarHBondContact O-N 2.99Å; Y126-L128 VanDerWaalsContact C-N 3.3Å; Y126-L128 PolarHBondContact O-N 3.28Å; Y126-L129 PolarHBondContact O-N 3.12Å; Y126-E130 WeakPolarHBondContact O-CB 3.47Å; Y126-E130 PolarHBondContact O-N 3.23Å
127	E	63.5	Low	57.3	Low	54 Å²	54	82.1 Å²	82.1	25%	0.252	43%	0.428	S	S	.	.	H	α-helix	trans	-62.7	-39.4	176.8	-68.8	-173.9	-168.8	0	0	110.8	L124 L131 Y158 V161	L124-E127 HydrophobicContact CB-CB 4.37Å; L124-E127 HydrophobicContact CD2-CB 4.22Å; L124-E127 HydrophobicContact CD2-CG 3.82Å; L124-E127 VanDerWaalsContact CD2-OE1 3.29Å; L124-E127 WeakPolarHBondContact CD2-OE1 3.2Å; L124-E127 WeakPolarHBondContact CD2-OE2 2.92Å; E127-L131 VanDerWaalsContact O-CB 3.25Å; E127-L131 WeakPolarHBondContact O-CB 3.42Å; E127-L131 PolarHBondContact O-N 2.87Å; E127-Y158 HydrophobicContact CB-CD1 4.06Å; E127-Y158 HydrophobicContact CG-CD1 4.15Å; E127-V161 HydrophobicContact CB-CG2 3.48Å; E127-V161 VanDerWaalsContact CB-CG2 3.48Å; E127-V161 WeakPolarHBondContact OE2-CG2 3.24Å; E127-V161 PolarHBondContact OE2-N 3.18Å
128	L	59.3	Low	57.8	Low	55 Å²	55	87.6 Å²	87.6	29%	0.288	45%	0.448	S	S	.	.	H	α-helix	trans	-67.3	-43	178.8	-138	87.4	0	0	0	112.3	V120 L124 P125 Y126 L131 Q132 V161	V120-L128 HydrophobicContact CG1-CD1 3.51Å; V120-L128 HydrophobicContact CG1-CD2 4.29Å; L124-L128 WeakPolarHBondContact O-CB 3.38Å; L124-L128 PolarHBondContact O-N 3.44Å; L124-L128 VanDerWaalsContact O-N 3.09Å; P125-L128 PolarHBondContact O-N 3.07Å; Y126-L128 VanDerWaalsContact C-N 3.3Å; Y126-L128 PolarHBondContact O-N 3.28Å; L128-L131 PolarHBondContact O-N 3.35Å; L128-Q132 VanDerWaalsContact O-CB 3.28Å; L128-Q132 WeakPolarHBondContact O-CB 3.48Å; L128-Q132 PolarHBondContact O-N 2.77Å; L128-V161 HydrophobicContact CD1-CG1 3.87Å; L128-V161 HydrophobicContact CD1-CG2 3.95Å
129	L	60.2	Low	58.2	Low	115 Å²	115	82.1 Å²	82.1	60%	0.602	44%	0.438	S	S	*	.	H	α-helix	trans	-66	-41.3	179.2	-168.2	81	0	0	0	110.5	P125 Y126 Q132 S133	P125-L129 WeakPolarHBondContact O-CB 3.44Å; P125-L129 PolarHBondContact O-N 2.79Å; Y126-L129 PolarHBondContact O-N 3.12Å; L129-Q132 PolarHBondContact O-N 2.81Å; L129-S133 VanDerWaalsContact O-CB 3.31Å; L129-S133 WeakPolarHBondContact O-CB 3.14Å; L129-S133 PolarHBondContact O-N 2.95Å; L129-S133 PolarHBondContact O-OG 2.83Å
130	E	61.7	Low	58.6	Low	89 Å²	89	84.6 Å²	84.6	42%	0.416	44%	0.439	S	S	.	.	H	α-helix	trans	-67.5	-38.8	175.2	-155.7	-165.6	147.8	0	0	111.6	Y126 Q132 S133 K134 Y158	Y126-E130 WeakPolarHBondContact O-CB 3.47Å; Y126-E130 PolarHBondContact O-N 3.23Å; E130-Q132 VanDerWaalsContact C-N 3.33Å; E130-Q132 PolarHBondContact O-N 2.68Å; E130-S133 PolarHBondContact O-N 3.21Å; E130-S133 PolarHBondContact O-OG 3.13Å; E130-S133 VanDerWaalsContact O-OG 3.06Å; E130-K134 WeakPolarHBondContact O-CG 3.47Å; E130-K134 PolarHBondContact O-N 3.22Å; E130-K134 VanDerWaalsContact OE1-CE 3.27Å; E130-K134 WeakPolarHBondContact OE1-CE 3.49Å; E130-K134 IonicContact OE1-NZ 2.82Å; E130-K134 PolarHBondContact OE1-NZ 2.73Å; E130-Y158 VanDerWaalsContact CD-OH 3.23Å; E130-Y158 PolarHBondContact OE1-OH 3.49Å
131	L	60.4	Low	58.6	Low	32 Å²	32	87.2 Å²	87.2	17%	0.168	45%	0.452	C	S	.	.	H	α-helix	trans	-64	-39.9	173.9	-154.3	89.4	0	0	0	111.5	E127 L128 L137 Y158 V161	E127-L131 VanDerWaalsContact O-CB 3.25Å; E127-L131 WeakPolarHBondContact O-CB 3.42Å; E127-L131 PolarHBondContact O-N 2.87Å; L128-L131 PolarHBondContact O-N 3.35Å; L131-L137 HydrophobicContact CD1-CD1 3.86Å; L131-L137 HydrophobicContact CD1-CD2 4.19Å; L131-L137 HydrophobicContact CG-CD1 4.39Å; L131-L137 HydrophobicContact CG-CD2 4.4Å; L131-Y158 HydrophobicContact CD1-CD1 4.43Å; L131-Y158 HydrophobicContact CD1-CD2 3.26Å; L131-Y158 HydrophobicContact CD1-CE2 3.54Å; L131-Y158 HydrophobicContact CD1-CG 3.75Å; L131-V161 HydrophobicContact CD2-CG1 4.19Å
132	Q	58.7	Low	58.7	Low	134 Å²	134	89.5 Å²	89.5	63%	0.626	46%	0.464	S	S	*	.	H	α-helix	trans	-71.8	-34.4	178.2	-172.4	177.9	-2.3	0	0	112.1	L128 L129 E130	L128-Q132 VanDerWaalsContact O-CB 3.28Å; L128-Q132 WeakPolarHBondContact O-CB 3.48Å; L128-Q132 PolarHBondContact O-N 2.77Å; L129-Q132 PolarHBondContact O-N 2.81Å; E130-Q132 VanDerWaalsContact C-N 3.33Å; E130-Q132 PolarHBondContact O-N 2.68Å
133	S	59.5	Low	59	Low	81 Å²	81	88.2 Å²	88.2	57%	0.566	46%	0.457	S	S	*	.	H	α-helix	trans	-75.4	-27.7	178.6	78.9	0	0	0	0	112.5	L129 E130 V135	L129-S133 VanDerWaalsContact O-CB 3.31Å; L129-S133 WeakPolarHBondContact O-CB 3.14Å; L129-S133 PolarHBondContact O-N 2.95Å; L129-S133 PolarHBondContact O-OG 2.83Å; E130-S133 PolarHBondContact O-N 3.21Å; E130-S133 PolarHBondContact O-OG 3.13Å; E130-S133 VanDerWaalsContact O-OG 3.06Å; S133-V135 VanDerWaalsContact C-N 3.34Å; S133-V135 PolarHBondContact O-N 3.25Å
134	K	64.9	Low	58.7	Low	75 Å²	75	86 Å²	86	33%	0.326	44%	0.444	S	S	.	.			trans	-68.9	88.8	173.7	-78.1	179.2	-176.1	173.6	0	110.9	E130 Q136 L137 K138 Y158	E130-K134 WeakPolarHBondContact O-CG 3.47Å; E130-K134 PolarHBondContact O-N 3.22Å; E130-K134 VanDerWaalsContact OE1-CE 3.27Å; E130-K134 WeakPolarHBondContact OE1-CE 3.49Å; E130-K134 IonicContact OE1-NZ 2.82Å; E130-K134 PolarHBondContact OE1-NZ 2.73Å; K134-Q136 PolarHBondContact O-N 3.39Å; K134-Q136 VanDerWaalsContact O-N 3.1Å; K134-L137 HydrophobicContact CB-CB 4.14Å; K134-L137 HydrophobicContact CB-CD1 4.25Å; K134-L137 HydrophobicContact CD-CD1 4.28Å; K134-L137 WeakPolarHBondContact O-CB 3.43Å; K134-L137 PolarHBondContact O-N 3.27Å; K134-K138 PolarHBondContact O-N 3.02Å; K134-Y158 WeakPolarHBondContact CE-OH 3.46Å; K134-Y158 PolarHBondContact NZ-OH 3.23Å
135	V	64.3	Low	58.6	Low	114 Å²	114	87 Å²	87	69%	0.691	45%	0.445	S	S	*	.	H	α-helix	trans	-47.9	-38.6	174.2	164.6	0	0	0	0	112.3	S133 L137 K138 A139	S133-V135 VanDerWaalsContact C-N 3.34Å; S133-V135 PolarHBondContact O-N 3.25Å; V135-L137 VanDerWaalsContact C-N 3.32Å; V135-L137 PolarHBondContact O-N 3.49Å; V135-K138 PolarHBondContact O-N 3.05Å; V135-A139 PolarHBondContact O-N 2.89Å
136	Q	59.8	Low	58.1	Low	145 Å²	145	90.6 Å²	90.6	68%	0.678	46%	0.456	S	S	*	.	H	α-helix	trans	-60.5	-39.4	177	-75.7	-169	-18.3	0	0	112.8	K134 A139 R140	K134-Q136 PolarHBondContact O-N 3.39Å; K134-Q136 VanDerWaalsContact O-N 3.1Å; Q136-A139 PolarHBondContact O-N 3.32Å; Q136-R140 WeakPolarHBondContact O-CB 3.38Å; Q136-R140 VanDerWaalsContact O-CG 3.28Å; Q136-R140 WeakPolarHBondContact O-CG 3.43Å; Q136-R140 PolarHBondContact O-N 3.01Å
137	L	57.8	Low	57.5	Low	18 Å²	18	85.1 Å²	85.1	9%	0.094	44%	0.438	C	S	.	.	H	α-helix	trans	-71.4	-37.8	178.4	-113	144.9	0	0	0	111.1	L131 K134 V135 A139 R140 L141 L148 V154 Y158	L131-L137 HydrophobicContact CD1-CD1 3.86Å; L131-L137 HydrophobicContact CD1-CD2 4.19Å; L131-L137 HydrophobicContact CG-CD1 4.39Å; L131-L137 HydrophobicContact CG-CD2 4.4Å; K134-L137 HydrophobicContact CB-CB 4.14Å; K134-L137 HydrophobicContact CB-CD1 4.25Å; K134-L137 HydrophobicContact CD-CD1 4.28Å; K134-L137 WeakPolarHBondContact O-CB 3.43Å; K134-L137 PolarHBondContact O-N 3.27Å; V135-L137 VanDerWaalsContact C-N 3.32Å; V135-L137 PolarHBondContact O-N 3.49Å; L137-A139 VanDerWaalsContact C-N 3.34Å; L137-R140 PolarHBondContact O-N 3.47Å; L137-L141 WeakPolarHBondContact O-CB 3.45Å; L137-L141 PolarHBondContact O-N 2.84Å; L137-L148 HydrophobicContact CD2-CD2 4.17Å; L137-V154 HydrophobicContact CD2-CG1 4Å; L137-V154 HydrophobicContact CD2-CG2 3.89Å; L137-Y158 HydrophobicContact CD1-CE2 4.33Å
138	K	62.1	Low	56.9	Low	139 Å²	139	82.8 Å²	82.8	60%	0.604	43%	0.427	S	S	*	.	H	α-helix	trans	-62.4	-41.9	173.4	-157.7	178.3	-176.4	-179.1	0	111.8	K134 V135 L141 S142	K134-K138 PolarHBondContact O-N 3.02Å; V135-K138 PolarHBondContact O-N 3.05Å; K138-L141 PolarHBondContact O-N 3.34Å; K138-S142 PolarHBondContact O-N 2.89Å
139	A	56.2	Low	56.6	Low	51 Å²	51	83 Å²	83	42%	0.421	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-45	173.4	0	0	0	0	0	111.6	V135 Q136 L137 L141 S142 Q143	V135-A139 PolarHBondContact O-N 2.89Å; Q136-A139 PolarHBondContact O-N 3.32Å; L137-A139 VanDerWaalsContact C-N 3.34Å; A139-L141 VanDerWaalsContact C-N 3.35Å; A139-L141 PolarHBondContact O-N 3.02Å; A139-S142 PolarHBondContact O-N 3.04Å; A139-S142 VanDerWaalsContact O-N 3.16Å; A139-S142 PolarHBondContact O-OG 3.08Å; A139-Q143 PolarHBondContact O-N 3.03Å; A139-Q143 VanDerWaalsContact O-N 3.09Å
140	R	56.1	Low	56	Low	78 Å²	78	83.4 Å²	83.4	29%	0.294	44%	0.435	S	S	.	.	H	α-helix	trans	-64.1	-36.5	175.8	-71.5	178.7	-174.5	-173.5	8.5	112.6	Q136 L137 S142 Q143 L148 E153	Q136-R140 WeakPolarHBondContact O-CB 3.38Å; Q136-R140 VanDerWaalsContact O-CG 3.28Å; Q136-R140 WeakPolarHBondContact O-CG 3.43Å; Q136-R140 PolarHBondContact O-N 3.01Å; L137-R140 PolarHBondContact O-N 3.47Å; R140-S142 VanDerWaalsContact C-N 3.34Å; R140-Q143 WeakPolarHBondContact O-CB 3.2Å; R140-Q143 PolarHBondContact O-N 3.12Å; R140-Q143 VanDerWaalsContact O-N 3.17Å; R140-L148 HydrophobicContact CB-CD2 4.33Å; R140-E153 IonicContact NH1-OE2 3.09Å; R140-E153 PolarHBondContact NH1-OE2 3.16Å; R140-E153 VanDerWaalsContact NH1-OE2 3.09Å
141	L	52.2	Low	55.7	Low	69 Å²	69	82.1 Å²	82.1	36%	0.361	43%	0.429	S	S	.	.	H	α-helix	trans	-60	-42.7	171.4	-92.7	162.9	0	0	0	111.8	L137 K138 A139 Q143 G144 Y145 L148	L137-L141 WeakPolarHBondContact O-CB 3.45Å; L137-L141 PolarHBondContact O-N 2.84Å; K138-L141 PolarHBondContact O-N 3.34Å; A139-L141 VanDerWaalsContact C-N 3.35Å; A139-L141 PolarHBondContact O-N 3.02Å; L141-Q143 PolarHBondContact O-N 2.86Å; L141-G144 PolarHBondContact O-N 3.07Å; L141-Y145 HydrophobicContact CD2-CE2 4.2Å; L141-L148 HydrophobicContact CB-CD1 3.91Å; L141-L148 HydrophobicContact CD2-CD1 3.27Å; L141-L148 HydrophobicContact CG-CD1 3.33Å
142	S	54.8	Low	55.7	Low	105 Å²	105	86.1 Å²	86.1	73%	0.734	45%	0.445	S	S	*	.	H	α-helix	trans	-67	-27.1	176.4	71.4	0	0	0	0	113.1	K138 A139 R140 G144	K138-S142 PolarHBondContact O-N 2.89Å; A139-S142 PolarHBondContact O-N 3.04Å; A139-S142 VanDerWaalsContact O-N 3.16Å; A139-S142 PolarHBondContact O-OG 3.08Å; R140-S142 VanDerWaalsContact C-N 3.34Å; S142-G144 PolarHBondContact O-N 3.46Å
143	Q	56.3	Low	55.7	Low	129 Å²	129	84.7 Å²	84.7	60%	0.603	44%	0.439	S	S	*	.	H	α-helix	trans	-70.7	-15.7	176.7	-140.5	175.2	-19.5	0	0	112.7	A139 R140 L141	A139-Q143 PolarHBondContact O-N 3.03Å; A139-Q143 VanDerWaalsContact O-N 3.09Å; R140-Q143 WeakPolarHBondContact O-CB 3.2Å; R140-Q143 PolarHBondContact O-N 3.12Å; R140-Q143 VanDerWaalsContact O-N 3.17Å; L141-Q143 PolarHBondContact O-N 2.86Å
144	G	45.2	Very low	55.8	Low	17 Å²	17	81.2 Å²	81.2	18%	0.175	41%	0.414	C	S	.	.			trans	122.5	146.4	168.6	0	0	0	0	0	113.5	L141 S142 Q146 Q147 L148	L141-G144 PolarHBondContact O-N 3.07Å; S142-G144 PolarHBondContact O-N 3.46Å; G144-Q146 PolarHBondContact O-N 2.74Å; G144-Q147 PolarHBondContact O-N 3.36Å; G144-Q147 VanDerWaalsContact O-N 3.09Å; G144-L148 PolarHBondContact O-N 2.83Å
145	Y	53.7	Low	55.6	Low	65 Å²	65	79.4 Å²	79.4	26%	0.255	41%	0.41	S	S	.	.	H	α-helix	trans	-57.8	-32.7	-178.7	-98.9	-92.8	0	0	0	113.8	L141 Q147 L148 S149 L169 V219	L141-Y145 HydrophobicContact CD2-CE2 4.2Å; Y145-Q147 VanDerWaalsContact C-N 3.3Å; Y145-Q147 PolarHBondContact O-N 2.72Å; Y145-L148 PolarHBondContact O-N 2.85Å; Y145-S149 WeakPolarHBondContact O-CB 3.32Å; Y145-S149 PolarHBondContact O-N 3.28Å; Y145-S149 PolarHBondContact O-OG 3Å; Y145-L169 HydrophobicContact CD1-CD1 4.28Å; Y145-L169 HydrophobicContact CD1-CD2 4.2Å; Y145-L169 HydrophobicContact CE1-CD1 3.97Å; Y145-L169 HydrophobicContact CE1-CD2 3.94Å; Y145-L169 HydrophobicContact CE1-CG 4.34Å; Y145-V219 HydrophobicContact CD2-CG1 4.47Å; Y145-V219 HydrophobicContact CD2-CG2 4.05Å; Y145-V219 HydrophobicContact CE2-CB 4.35Å; Y145-V219 HydrophobicContact CE2-CG1 3.75Å; Y145-V219 HydrophobicContact CE2-CG2 3.75Å
146	Q	50.3	Low	55.6	Low	136 Å²	136	80 Å²	80	64%	0.636	41%	0.405	S	S	*	.	H	α-helix	trans	-56.9	-45.7	176.6	-75.8	-83.5	-35.2	0	0	111	G144 L148 S149 L150	G144-Q146 PolarHBondContact O-N 2.74Å; Q146-L148 PolarHBondContact O-N 3.22Å; Q146-S149 PolarHBondContact O-N 3.16Å; Q146-S149 PolarHBondContact O-OG 2.69Å; Q146-L150 VanDerWaalsContact O-CG 3.31Å; Q146-L150 WeakPolarHBondContact O-CG 3.3Å; Q146-L150 PolarHBondContact O-N 3.35Å; Q146-L150 VanDerWaalsContact O-N 3.12Å
147	Q	50.2	Low	55.8	Low	87 Å²	87	78 Å²	78	41%	0.407	40%	0.399	S	S	.	.	H	α-helix	trans	-70.5	-36.5	-176.7	-142.6	167.7	12.7	0	0	111.6	G144 Y145 L150 Q151	G144-Q147 PolarHBondContact O-N 3.36Å; G144-Q147 VanDerWaalsContact O-N 3.09Å; Y145-Q147 VanDerWaalsContact C-N 3.3Å; Y145-Q147 PolarHBondContact O-N 2.72Å; Q147-L150 PolarHBondContact O-N 3.47Å; Q147-Q151 WeakPolarHBondContact O-CG 3.15Å; Q147-Q151 PolarHBondContact O-N 3.39Å; Q147-Q151 VanDerWaalsContact O-N 3.12Å
148	L	51.8	Low	56.2	Low	5 Å²	5	77.7 Å²	77.7	3%	0.026	40%	0.396	C	S	.	.	H	α-helix	trans	-67.5	-39.8	172.1	-85.2	164.9	0	0	0	113.7	L137 R140 L141 G144 Y145 Q146 L150 Q151 V154	L137-L148 HydrophobicContact CD2-CD2 4.17Å; R140-L148 HydrophobicContact CB-CD2 4.33Å; L141-L148 HydrophobicContact CB-CD1 3.91Å; L141-L148 HydrophobicContact CD2-CD1 3.27Å; L141-L148 HydrophobicContact CG-CD1 3.33Å; G144-L148 PolarHBondContact O-N 2.83Å; Y145-L148 PolarHBondContact O-N 2.85Å; Q146-L148 PolarHBondContact O-N 3.22Å; L148-L150 PolarHBondContact O-N 3.43Å; L148-Q151 PolarHBondContact O-N 2.9Å; L148-V154 HydrophobicContact CD2-CB 4.48Å; L148-V154 HydrophobicContact CD2-CG2 3.69Å
149	S	53.4	Low	56.4	Low	58 Å²	58	75 Å²	75	41%	0.406	39%	0.392	S	S	.	.	H	α-helix	trans	-64.5	-25.9	175.7	65.3	0	0	0	0	112.6	Y145 Q146	Y145-S149 WeakPolarHBondContact O-CB 3.32Å; Y145-S149 PolarHBondContact O-N 3.28Å; Y145-S149 PolarHBondContact O-OG 3Å; Q146-S149 PolarHBondContact O-N 3.16Å; Q146-S149 PolarHBondContact O-OG 2.69Å
150	L	47.7	Very low	56.9	Low	124 Å²	124	73.7 Å²	73.7	65%	0.649	39%	0.385	S	S	*	.	H	α-helix	trans	-81.9	-26.1	176	-71.1	167.8	0	0	0	112.5	Q146 Q147 L148 K152	Q146-L150 VanDerWaalsContact O-CG 3.31Å; Q146-L150 WeakPolarHBondContact O-CG 3.3Å; Q146-L150 PolarHBondContact O-N 3.35Å; Q146-L150 VanDerWaalsContact O-N 3.12Å; Q147-L150 PolarHBondContact O-N 3.47Å; L148-L150 PolarHBondContact O-N 3.43Å; L150-K152 PolarHBondContact O-N 3.34Å
151	Q	54	Low	57.1	Low	63 Å²	63	70.3 Å²	70.3	29%	0.294	37%	0.372	S	S	.	.			trans	-80.4	110.6	178.6	-73.5	-150.9	-23.9	0	0	111.6	Q147 L148 E153 P155	Q147-Q151 WeakPolarHBondContact O-CG 3.15Å; Q147-Q151 PolarHBondContact O-N 3.39Å; Q147-Q151 VanDerWaalsContact O-N 3.12Å; L148-Q151 PolarHBondContact O-N 2.9Å; Q151-E153 PolarHBondContact O-N 3.43Å; Q151-P155 VanDerWaalsContact O-CD 3.25Å; Q151-P155 WeakPolarHBondContact O-CD 3.31Å
152	K	60.4	Low	57.9	Low	116 Å²	116	68.5 Å²	68.5	50%	0.504	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.8	176.9	-68.8	-179.2	177.5	175.5	0	114	L150 V154 P155 E156	L150-K152 PolarHBondContact O-N 3.34Å; K152-V154 PolarHBondContact O-N 2.85Å; K152-P155 WeakPolarHBondContact O-CD 3.29Å; K152-E156 WeakPolarHBondContact O-CG 3.3Å; K152-E156 PolarHBondContact O-N 3.01Å
153	E	58.6	Low	58.1	Low	104 Å²	104	67.1 Å²	67.1	49%	0.486	35%	0.345	S	S	.	.	H	α-helix	trans	-64.5	-41.2	-175.5	-64.6	175.2	175.7	0	0	112.8	R140 Q151 E156 L157	R140-E153 IonicContact NH1-OE2 3.09Å; R140-E153 PolarHBondContact NH1-OE2 3.16Å; R140-E153 VanDerWaalsContact NH1-OE2 3.09Å; Q151-E153 PolarHBondContact O-N 3.43Å; E153-E156 PolarHBondContact O-N 3.07Å; E153-L157 HydrophobicContact CB-CD1 4.26Å; E153-L157 WeakPolarHBondContact O-CB 3.36Å; E153-L157 WeakPolarHBondContact O-CD1 3.15Å; E153-L157 WeakPolarHBondContact O-CG 2.86Å; E153-L157 PolarHBondContact O-N 2.84Å
154	V	62.5	Low	58.3	Low	8 Å²	8	61.8 Å²	61.8	5%	0.048	32%	0.321	C	S	.	.	H	α-helix	trans	-67.5	-46.5	-174.6	-177.3	0	0	0	0	112.7	L137 L148 K152 E156 Y158 W162	L137-V154 HydrophobicContact CD2-CG1 4Å; L137-V154 HydrophobicContact CD2-CG2 3.89Å; L148-V154 HydrophobicContact CD2-CB 4.48Å; L148-V154 HydrophobicContact CD2-CG2 3.69Å; K152-V154 PolarHBondContact O-N 2.85Å; V154-E156 VanDerWaalsContact C-N 3.27Å; V154-E156 PolarHBondContact O-N 3.47Å; V154-Y158 PolarHBondContact O-N 3.38Å; V154-W162 HydrophobicContact CG1-CE3 4.32Å; V154-W162 HydrophobicContact CG1-CZ3 4.49Å
155	P	59.4	Low	59	Low	36 Å²	36	62.6 Å²	62.6	23%	0.234	32%	0.322	C	S	.	.	H	α-helix	trans	-56.9	-35.9	171.3	-20.4	24.3	0	0	0	114.5	Q151 K152 P159 W162	Q151-P155 VanDerWaalsContact O-CD 3.25Å; Q151-P155 WeakPolarHBondContact O-CD 3.31Å; K152-P155 WeakPolarHBondContact O-CD 3.29Å; P155-P159 WeakPolarHBondContact O-CA 3.39Å; P155-W162 VanDerWaalsContact CB-CD1 3.44Å; P155-W162 HydrophobicContact CB-CG 4.1Å; P155-W162 HydrophobicContact CG-CD2 4.39Å; P155-W162 HydrophobicContact CG-CG 4.38Å; P155-W162 HydrophobicContact CG-CZ2 4.35Å
156	E	64.8	Low	59.3	Low	128 Å²	128	62.6 Å²	62.6	60%	0.598	32%	0.323	S	S	*	.	H	α-helix	trans	-79.7	-37.4	-176	-74.2	-176.2	-179.5	0	0	112.3	K152 E153 V154	K152-E156 WeakPolarHBondContact O-CG 3.3Å; K152-E156 PolarHBondContact O-N 3.01Å; E153-E156 PolarHBondContact O-N 3.07Å; V154-E156 VanDerWaalsContact C-N 3.27Å; V154-E156 PolarHBondContact O-N 3.47Å
157	L	65.1	Low	59.8	Low	103 Å²	103	60.4 Å²	60.4	54%	0.539	31%	0.312	S	S	.	.	H	α-helix	trans	-71.4	-34.7	178.4	-77.9	158	0	0	0	112.7	E153	E153-L157 HydrophobicContact CB-CD1 4.26Å; E153-L157 WeakPolarHBondContact O-CB 3.36Å; E153-L157 WeakPolarHBondContact O-CD1 3.15Å; E153-L157 WeakPolarHBondContact O-CG 2.86Å; E153-L157 PolarHBondContact O-N 2.84Å
158	Y	65.6	Low	60.2	Low	11 Å²	11	57.7 Å²	57.7	4%	0.043	30%	0.3	C	S	.	.			trans	-136.8	68	-173.5	-58.2	-75.9	0	0	0	111.6	E127 E130 L131 K134 L137 V154 G160 W162	E127-Y158 HydrophobicContact CB-CD1 4.06Å; E127-Y158 HydrophobicContact CG-CD1 4.15Å; E130-Y158 VanDerWaalsContact CD-OH 3.23Å; E130-Y158 PolarHBondContact OE1-OH 3.49Å; L131-Y158 HydrophobicContact CD1-CD1 4.43Å; L131-Y158 HydrophobicContact CD1-CD2 3.26Å; L131-Y158 HydrophobicContact CD1-CE2 3.54Å; L131-Y158 HydrophobicContact CD1-CG 3.75Å; K134-Y158 WeakPolarHBondContact CE-OH 3.46Å; K134-Y158 PolarHBondContact NZ-OH 3.23Å; L137-Y158 HydrophobicContact CD1-CE2 4.33Å; V154-Y158 PolarHBondContact O-N 3.38Å; Y158-G160 VanDerWaalsContact C-N 3.29Å; Y158-G160 PolarHBondContact O-N 2.97Å; Y158-W162 VanDerWaalsContact O-CB 3.23Å; Y158-W162 WeakPolarHBondContact O-CB 3.41Å; Y158-W162 PolarHBondContact O-N 2.85Å
159	P	66.1	Low	60.6	Low	81 Å²	81	59 Å²	59	53%	0.526	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-36.3	-174.7	24.6	-33.5	0	0	0	112.4	P155 D163	P155-P159 WeakPolarHBondContact O-CA 3.39Å; P159-D163 PolarHBondContact O-N 2.82Å
160	G	66.3	Low	60.9	Low	25 Å²	25	59.1 Å²	59.1	26%	0.258	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-54.9	179.8	0	0	0	0	0	112.1	Y158 W162 D163 M164	Y158-G160 VanDerWaalsContact C-N 3.29Å; Y158-G160 PolarHBondContact O-N 2.97Å; G160-W162 VanDerWaalsContact C-N 3.3Å; G160-W162 PolarHBondContact O-N 3.19Å; G160-D163 PolarHBondContact O-N 3.09Å; G160-M164 PolarHBondContact O-N 2.81Å
161	V	60.9	Low	61.5	Low	6 Å²	6	55 Å²	55	4%	0.036	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-41	176.1	176.6	0	0	0	0	111.6	E127 L128 L131 M164 V165	E127-V161 HydrophobicContact CB-CG2 3.48Å; E127-V161 VanDerWaalsContact CB-CG2 3.48Å; E127-V161 WeakPolarHBondContact OE2-CG2 3.24Å; E127-V161 PolarHBondContact OE2-N 3.18Å; L128-V161 HydrophobicContact CD1-CG1 3.87Å; L128-V161 HydrophobicContact CD1-CG2 3.95Å; L131-V161 HydrophobicContact CD2-CG1 4.19Å; V161-M164 PolarHBondContact O-N 3.15Å; V161-V165 HydrophobicContact CG1-CG2 4.17Å; V161-V165 WeakPolarHBondContact O-CG2 3.44Å; V161-V165 PolarHBondContact O-N 2.73Å
162	W	68.5	Low	61.8	Low	31 Å²	31	52.9 Å²	52.9	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-39.6	-177.1	-170.6	-120.2	0	0	0	113.6	V154 P155 Y158 G160 M164 V165 K166	V154-W162 HydrophobicContact CG1-CE3 4.32Å; V154-W162 HydrophobicContact CG1-CZ3 4.49Å; P155-W162 VanDerWaalsContact CB-CD1 3.44Å; P155-W162 HydrophobicContact CB-CG 4.1Å; P155-W162 HydrophobicContact CG-CD2 4.39Å; P155-W162 HydrophobicContact CG-CG 4.38Å; P155-W162 HydrophobicContact CG-CZ2 4.35Å; Y158-W162 VanDerWaalsContact O-CB 3.23Å; Y158-W162 WeakPolarHBondContact O-CB 3.41Å; Y158-W162 PolarHBondContact O-N 2.85Å; G160-W162 VanDerWaalsContact C-N 3.3Å; G160-W162 PolarHBondContact O-N 3.19Å; W162-M164 PolarHBondContact O-N 3.42Å; W162-V165 HydrophobicContact CE3-CB 4.22Å; W162-V165 HydrophobicContact CE3-CG1 4.16Å; W162-V165 HydrophobicContact CZ3-CG1 4.06Å; W162-V165 PolarHBondContact O-N 3.12Å; W162-K166 WeakPolarHBondContact O-CG 3.48Å; W162-K166 PolarHBondContact O-N 2.74Å
163	D	60.3	Low	61.8	Low	77 Å²	77	48.7 Å²	48.7	41%	0.412	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-37.9	174.3	-172.6	58.8	0	0	0	111.5	P159 G160 K166 K167	P159-D163 PolarHBondContact O-N 2.82Å; G160-D163 PolarHBondContact O-N 3.09Å; D163-K166 PolarHBondContact O-N 3.32Å; D163-K167 WeakPolarHBondContact O-CG 3.41Å; D163-K167 PolarHBondContact O-N 3.34Å; D163-K167 VanDerWaalsContact OD2-CE 3.28Å; D163-K167 WeakPolarHBondContact OD2-CE 3.38Å; D163-K167 IonicContact OD2-NZ 3.68Å; D163-K167 PolarHBondContact OD2-NZ 3.42Å
164	M	58.8	Low	61.9	Low	17 Å²	17	45.6 Å²	45.6	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-70.4	-42.1	175.9	-64.5	-171.8	-69.8	0	0	112.5	V120 L124 G160 V161 W162 K166 K167 L168	V120-M164 HydrophobicContact CB-CE 4.38Å; V120-M164 HydrophobicContact CB-SD 4.19Å; V120-M164 HydrophobicContact CG1-CE 4.03Å; V120-M164 HydrophobicContact CG1-SD 4.45Å; V120-M164 HydrophobicContact CG2-CB 3.94Å; V120-M164 HydrophobicContact CG2-CE 4.11Å; V120-M164 HydrophobicContact CG2-CG 4.24Å; V120-M164 HydrophobicContact CG2-SD 3.46Å; V120-M164 WeakPolarHBondContact CG2-SD 3.28Å; L124-M164 HydrophobicContact CB-CE 4.3Å; L124-M164 HydrophobicContact CD1-CE 3.71Å; G160-M164 PolarHBondContact O-N 2.81Å; V161-M164 PolarHBondContact O-N 3.15Å; W162-M164 PolarHBondContact O-N 3.42Å; M164-K166 VanDerWaalsContact C-N 3.29Å; M164-K166 PolarHBondContact O-N 3.35Å; M164-K167 WeakPolarHBondContact O-CB 3.19Å; M164-K167 PolarHBondContact O-N 2.9Å; M164-K167 VanDerWaalsContact O-N 3.16Å; M164-L168 PolarHBondContact O-N 2.79Å
165	V	60.5	Low	61.7	Low	34 Å²	34	46 Å²	46	21%	0.206	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-40.2	174	171.3	0	0	0	0	110.8	V161 W162 L168 L169	V161-V165 HydrophobicContact CG1-CG2 4.17Å; V161-V165 WeakPolarHBondContact O-CG2 3.44Å; V161-V165 PolarHBondContact O-N 2.73Å; W162-V165 HydrophobicContact CE3-CB 4.22Å; W162-V165 HydrophobicContact CE3-CG1 4.16Å; W162-V165 HydrophobicContact CZ3-CG1 4.06Å; W162-V165 PolarHBondContact O-N 3.12Å; V165-L168 PolarHBondContact O-N 3.05Å; V165-L169 HydrophobicContact CG1-CD1 3.8Å; V165-L169 HydrophobicContact CG1-CG 4.36Å; V165-L169 WeakPolarHBondContact O-CB 3.42Å; V165-L169 WeakPolarHBondContact O-CG 2.98Å; V165-L169 PolarHBondContact O-N 3.46Å
166	K	60.9	Low	61.6	Low	64 Å²	64	44.7 Å²	44.7	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-47	173.1	-74.8	-175.8	-169.1	177.9	0	111.8	W162 D163 M164 L168 L169 I170	W162-K166 WeakPolarHBondContact O-CG 3.48Å; W162-K166 PolarHBondContact O-N 2.74Å; D163-K166 PolarHBondContact O-N 3.32Å; M164-K166 VanDerWaalsContact C-N 3.29Å; M164-K166 PolarHBondContact O-N 3.35Å; K166-L168 VanDerWaalsContact C-N 3.35Å; K166-L168 PolarHBondContact O-N 2.86Å; K166-L169 PolarHBondContact O-N 2.89Å; K166-I170 WeakPolarHBondContact O-CB 3.18Å; K166-I170 WeakPolarHBondContact O-CD1 2.95Å; K166-I170 WeakPolarHBondContact O-CG1 3.14Å; K166-I170 PolarHBondContact O-N 3.41Å
167	K	60.7	Low	61.3	Low	91 Å²	91	40.6 Å²	40.6	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-45.6	177.9	-75.1	165.7	174.8	158.7	0	111.3	L116 D163 M164 I170 C171	L116-K167 HydrophobicContact CD2-CB 4.02Å; D163-K167 WeakPolarHBondContact O-CG 3.41Å; D163-K167 PolarHBondContact O-N 3.34Å; D163-K167 VanDerWaalsContact OD2-CE 3.28Å; D163-K167 WeakPolarHBondContact OD2-CE 3.38Å; D163-K167 IonicContact OD2-NZ 3.68Å; D163-K167 PolarHBondContact OD2-NZ 3.42Å; M164-K167 WeakPolarHBondContact O-CB 3.19Å; M164-K167 PolarHBondContact O-N 2.9Å; M164-K167 VanDerWaalsContact O-N 3.16Å; K167-I170 PolarHBondContact O-N 2.91Å; K167-C171 PolarHBondContact O-N 3.11Å; K167-C171 PolarHBondContact O-SG 3.49Å; K167-C171 VanDerWaalsContact O-SG 3.35Å
168	L	58.1	Low	61	Low	29 Å²	29	37 Å²	37	15%	0.152	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-46.5	176.5	-75.9	166.8	0	0	0	112	N113 L116 M164 V165 K166 I170 C171 L172	N113-L168 HydrophobicContact CB-CD2 4.45Å; L116-L168 HydrophobicContact CD2-CD2 4.12Å; L116-L168 HydrophobicContact CD2-CG 4.13Å; M164-L168 PolarHBondContact O-N 2.79Å; V165-L168 PolarHBondContact O-N 3.05Å; K166-L168 VanDerWaalsContact C-N 3.35Å; K166-L168 PolarHBondContact O-N 2.86Å; L168-I170 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 3.25Å; L168-C171 PolarHBondContact O-N 3.23Å; L168-L172 WeakPolarHBondContact O-CB 3.44Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.48Å; L168-L172 PolarHBondContact O-N 3.37Å
169	L	59.2	Low	60.8	Low	34 Å²	34	43 Å²	43	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-44.6	176.5	-81.7	164.2	0	0	0	111.8	Y145 V165 K166 C171 L172 L173	Y145-L169 HydrophobicContact CD1-CD1 4.28Å; Y145-L169 HydrophobicContact CD1-CD2 4.2Å; Y145-L169 HydrophobicContact CE1-CD1 3.97Å; Y145-L169 HydrophobicContact CE1-CD2 3.94Å; Y145-L169 HydrophobicContact CE1-CG 4.34Å; V165-L169 HydrophobicContact CG1-CD1 3.8Å; V165-L169 HydrophobicContact CG1-CG 4.36Å; V165-L169 WeakPolarHBondContact O-CB 3.42Å; V165-L169 WeakPolarHBondContact O-CG 2.98Å; V165-L169 PolarHBondContact O-N 3.46Å; K166-L169 PolarHBondContact O-N 2.89Å; L169-C171 VanDerWaalsContact C-N 3.35Å; L169-C171 PolarHBondContact O-N 3.35Å; L169-L172 PolarHBondContact O-N 2.92Å; L169-L173 VanDerWaalsContact O-CB 3.29Å; L169-L173 WeakPolarHBondContact O-CB 3.25Å; L169-L173 WeakPolarHBondContact O-CD1 3.29Å; L169-L173 VanDerWaalsContact O-CG 3.25Å; L169-L173 WeakPolarHBondContact O-CG 3.29Å; L169-L173 PolarHBondContact O-N 3.27Å
170	I	61.2	Low	60.6	Low	59 Å²	59	42.1 Å²	42.1	30%	0.303	22%	0.223	S	C	.	.	H	α-helix	trans	-60.4	-46.6	177.3	-72.7	166.2	0	0	0	110.5	L21 K166 K167 L168 S174	L21-I170 HydrophobicContact CD2-CB 3.96Å; L21-I170 HydrophobicContact CD2-CD1 3.89Å; L21-I170 HydrophobicContact CD2-CG1 3.58Å; L21-I170 HydrophobicContact CD2-CG2 3.24Å; K166-I170 WeakPolarHBondContact O-CB 3.18Å; K166-I170 WeakPolarHBondContact O-CD1 2.95Å; K166-I170 WeakPolarHBondContact O-CG1 3.14Å; K166-I170 PolarHBondContact O-N 3.41Å; K167-I170 PolarHBondContact O-N 2.91Å; L168-I170 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 3.25Å; I170-S174 WeakPolarHBondContact O-CB 3.36Å; I170-S174 PolarHBondContact O-N 3.46Å
171	C	58.6	Low	60.3	Low	37 Å²	37	43.1 Å²	43.1	25%	0.25	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-44.1	178.7	-72.2	0	0	0	0	112	N113 K167 L168 L169 S174 S175	N113-C171 WeakPolarHBondContact OD1-CB 3.39Å; N113-C171 PolarHBondContact OD1-SG 3.41Å; K167-C171 PolarHBondContact O-N 3.11Å; K167-C171 PolarHBondContact O-SG 3.49Å; K167-C171 VanDerWaalsContact O-SG 3.35Å; L168-C171 PolarHBondContact O-N 3.23Å; L169-C171 VanDerWaalsContact C-N 3.35Å; L169-C171 PolarHBondContact O-N 3.35Å; C171-S174 PolarHBondContact O-N 3.34Å; C171-S174 PolarHBondContact O-OG 2.99Å; C171-S175 PolarHBondContact O-N 3.41Å
172	L	60.5	Low	60.4	Low	19 Å²	19	44.4 Å²	44.4	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-44.9	177.6	-75.6	167.5	0	0	0	112.3	L168 L169 S174 S175 S176 L218 H222	L168-L172 WeakPolarHBondContact O-CB 3.44Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.48Å; L168-L172 PolarHBondContact O-N 3.37Å; L169-L172 PolarHBondContact O-N 2.92Å; L172-S174 PolarHBondContact O-N 3.43Å; L172-S175 PolarHBondContact O-N 3.43Å; L172-S175 PolarHBondContact O-OG 3.01Å; L172-S176 PolarHBondContact O-N 2.94Å; L172-S176 PolarHBondContact O-OG 3.5Å; L172-L218 HydrophobicContact CB-CD2 3.92Å; L172-L218 WeakPolarHBondContact O-CD2 3.37Å; L172-H222 HydrophobicContact CD1-CB 4.29Å; L172-H222 HydrophobicContact CD2-CB 3.87Å
173	L	60.9	Low	60.1	Low	28 Å²	28	46.2 Å²	46.2	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-39.2	174.1	-75.5	165.4	0	0	0	110.4	I50 L169 S176 L177 P213 I215 L218	I50-L173 HydrophobicContact CD1-CD1 4.22Å; L169-L173 VanDerWaalsContact O-CB 3.29Å; L169-L173 WeakPolarHBondContact O-CB 3.25Å; L169-L173 WeakPolarHBondContact O-CD1 3.29Å; L169-L173 VanDerWaalsContact O-CG 3.25Å; L169-L173 WeakPolarHBondContact O-CG 3.29Å; L169-L173 PolarHBondContact O-N 3.27Å; L173-S176 PolarHBondContact O-OG 3.09Å; L173-S176 VanDerWaalsContact O-OG 3.12Å; L173-L177 WeakPolarHBondContact O-CB 3.2Å; L173-L177 WeakPolarHBondContact O-CD1 3.49Å; L173-L177 WeakPolarHBondContact O-CG 3.24Å; L173-L177 PolarHBondContact O-N 3.34Å; L173-P213 HydrophobicContact CD2-CB 4.13Å; L173-P213 HydrophobicContact CD2-CG 4.15Å; L173-I215 HydrophobicContact CD2-CG1 4.31Å; L173-L218 HydrophobicContact CD2-CD1 4.46Å
174	S	60.3	Low	60.1	Low	39 Å²	39	44 Å²	44	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-66.7	-39.7	178.5	81.6	0	0	0	0	113.2	I170 C171 L172 V178	I170-S174 WeakPolarHBondContact O-CB 3.36Å; I170-S174 PolarHBondContact O-N 3.46Å; C171-S174 PolarHBondContact O-N 3.34Å; C171-S174 PolarHBondContact O-OG 2.99Å; L172-S174 PolarHBondContact O-N 3.43Å; S174-V178 WeakPolarHBondContact O-CB 3.35Å; S174-V178 WeakPolarHBondContact O-CG2 3.36Å; S174-V178 PolarHBondContact O-N 2.86Å
175	S	57.9	Low	60.1	Low	17 Å²	17	45.2 Å²	45.2	12%	0.119	24%	0.243	C	C	.	.	H	α-helix	trans	-70.1	-49.1	179.4	58.1	0	0	0	0	111.6	F106 C171 L172 L177 V178 E179	F106-S175 VanDerWaalsContact CE1-CB 3.43Å; C171-S175 PolarHBondContact O-N 3.41Å; L172-S175 PolarHBondContact O-N 3.43Å; L172-S175 PolarHBondContact O-OG 3.01Å; S175-L177 PolarHBondContact O-N 3.48Å; S175-V178 WeakPolarHBondContact O-CB 3.29Å; S175-V178 PolarHBondContact O-N 3.35Å; S175-E179 WeakPolarHBondContact O-CG 3.43Å; S175-E179 PolarHBondContact O-N 3.33Å
176	S	57.8	Low	60.1	Low	9 Å²	9	45.4 Å²	45.4	6%	0.063	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-37.9	179.8	48.9	0	0	0	0	114.3	L172 L173 V178 E179 Q180 L218	L172-S176 PolarHBondContact O-N 2.94Å; L172-S176 PolarHBondContact O-OG 3.5Å; L173-S176 PolarHBondContact O-OG 3.09Å; L173-S176 VanDerWaalsContact O-OG 3.12Å; S176-V178 VanDerWaalsContact C-N 3.27Å; S176-V178 PolarHBondContact O-N 3.41Å; S176-E179 PolarHBondContact O-N 3.32Å; S176-Q180 WeakPolarHBondContact O-CB 3.31Å; S176-Q180 VanDerWaalsContact O-CG 3.3Å; S176-Q180 WeakPolarHBondContact O-CG 3.39Å; S176-Q180 PolarHBondContact O-N 3.26Å; S176-L218 VanDerWaalsContact CB-CG 3.43Å; S176-L218 WeakPolarHBondContact OG-CD1 3.47Å; S176-L218 WeakPolarHBondContact OG-CD2 3.28Å; S176-L218 WeakPolarHBondContact OG-CG 3.22Å
177	L	58.5	Low	60.2	Low	41 Å²	41	44 Å²	44	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-41.7	176.5	-78	172.7	0	0	0	110	M48 L173 S175 Q180 V181 P213	M48-L177 HydrophobicContact SD-CD1 4.25Å; L173-L177 WeakPolarHBondContact O-CB 3.2Å; L173-L177 WeakPolarHBondContact O-CD1 3.49Å; L173-L177 WeakPolarHBondContact O-CG 3.24Å; L173-L177 PolarHBondContact O-N 3.34Å; S175-L177 PolarHBondContact O-N 3.48Å; L177-Q180 PolarHBondContact O-N 3.49Å; L177-V181 WeakPolarHBondContact O-CB 3.41Å; L177-V181 VanDerWaalsContact O-CG2 3.23Å; L177-V181 WeakPolarHBondContact O-CG2 3.5Å; L177-V181 PolarHBondContact O-N 3.18Å; L177-P213 HydrophobicContact CD2-CB 3.79Å; L177-P213 HydrophobicContact CD2-CG 3.93Å; L177-P213 HydrophobicContact CG-CB 4.27Å
178	V	59	Low	60	Low	27 Å²	27	40.5 Å²	40.5	16%	0.164	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-47.5	175.4	168.4	0	0	0	0	110.5	F102 F106 S174 S175 S176 Q180 V181 F182	F102-V178 HydrophobicContact CD1-CG1 3.45Å; F102-V178 VanDerWaalsContact CD1-CG1 3.45Å; F102-V178 HydrophobicContact CE1-CG1 3.48Å; F102-V178 VanDerWaalsContact CE1-CG1 3.48Å; F102-V178 HydrophobicContact CE1-CG2 4.2Å; F106-V178 HydrophobicContact CD2-CG1 4.36Å; F106-V178 HydrophobicContact CE2-CB 4.01Å; F106-V178 HydrophobicContact CE2-CG1 3.84Å; F106-V178 HydrophobicContact CE2-CG2 3.85Å; F106-V178 HydrophobicContact CZ-CB 4.19Å; F106-V178 HydrophobicContact CZ-CG2 3.96Å; S174-V178 WeakPolarHBondContact O-CB 3.35Å; S174-V178 WeakPolarHBondContact O-CG2 3.36Å; S174-V178 PolarHBondContact O-N 2.86Å; S175-V178 WeakPolarHBondContact O-CB 3.29Å; S175-V178 PolarHBondContact O-N 3.35Å; S176-V178 VanDerWaalsContact C-N 3.27Å; S176-V178 PolarHBondContact O-N 3.41Å; V178-Q180 VanDerWaalsContact C-N 3.33Å; V178-Q180 PolarHBondContact O-N 3.34Å; V178-V181 PolarHBondContact O-N 3.12Å; V178-F182 HydrophobicContact CG1-CD2 3.77Å; V178-F182 HydrophobicContact CG1-CE2 4.01Å; V178-F182 WeakPolarHBondContact O-CB 3.33Å; V178-F182 WeakPolarHBondContact O-CD2 3.46Å; V178-F182 PolarHBondContact O-N 3.3Å
179	E	62.2	Low	60	Low	138 Å²	138	39.9 Å²	39.9	65%	0.645	22%	0.223	S	C	*	.	H	α-helix	trans	-60.5	-40.6	177.1	-73.6	-175.6	167.3	0	0	112.8	S175 S176 F182 S183	S175-E179 WeakPolarHBondContact O-CG 3.43Å; S175-E179 PolarHBondContact O-N 3.33Å; S176-E179 PolarHBondContact O-N 3.32Å; E179-F182 PolarHBondContact O-N 3.33Å; E179-S183 VanDerWaalsContact O-CB 3.32Å; E179-S183 WeakPolarHBondContact O-CB 3.36Å; E179-S183 PolarHBondContact O-N 3.49Å
180	Q	62	Low	60	Low	63 Å²	63	41.5 Å²	41.5	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-68.1	-45.3	177.6	-75.7	-177.3	72.1	0	0	112	S176 L177 V178 F182 S183 I184 I211	S176-Q180 WeakPolarHBondContact O-CB 3.31Å; S176-Q180 VanDerWaalsContact O-CG 3.3Å; S176-Q180 WeakPolarHBondContact O-CG 3.39Å; S176-Q180 PolarHBondContact O-N 3.26Å; L177-Q180 PolarHBondContact O-N 3.49Å; V178-Q180 VanDerWaalsContact C-N 3.33Å; V178-Q180 PolarHBondContact O-N 3.34Å; Q180-F182 VanDerWaalsContact C-N 3.29Å; Q180-F182 PolarHBondContact O-N 3.12Å; Q180-S183 WeakPolarHBondContact O-CB 3.23Å; Q180-S183 PolarHBondContact O-N 3.44Å; Q180-I184 WeakPolarHBondContact O-CG1 3.34Å; Q180-I184 PolarHBondContact O-N 2.76Å; Q180-I211 HydrophobicContact CB-CD1 4.29Å; Q180-I211 HydrophobicContact CB-CG2 3.92Å; Q180-I211 HydrophobicContact CG-CG2 4.41Å
181	V	59.9	Low	60.1	Low	46 Å²	46	45.8 Å²	45.8	28%	0.279	25%	0.25	S	S	.	.	H	α-helix	trans	-60.3	-43.3	175.1	171.9	0	0	0	0	110.2	L177 V178 I184 V185 V208 I211	L177-V181 WeakPolarHBondContact O-CB 3.41Å; L177-V181 VanDerWaalsContact O-CG2 3.23Å; L177-V181 WeakPolarHBondContact O-CG2 3.5Å; L177-V181 PolarHBondContact O-N 3.18Å; V178-V181 PolarHBondContact O-N 3.12Å; V181-I184 PolarHBondContact O-N 2.99Å; V181-V185 HydrophobicContact CG1-CG2 4.47Å; V181-V185 VanDerWaalsContact O-CG2 3.29Å; V181-V185 WeakPolarHBondContact O-CG2 3.37Å; V181-V185 PolarHBondContact O-N 3.45Å; V181-V208 HydrophobicContact CG2-CG1 4.31Å; V181-I211 HydrophobicContact CG2-CD1 3.97Å
182	F	62.3	Low	60.1	Low	32 Å²	32	45.9 Å²	45.9	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-43.3	174.8	-96.5	-80.4	0	0	0	112.3	M98 R99 F102 V178 E179 Q180 I184 V185 T186	M98-F182 HydrophobicContact CB-CE1 3.93Å; M98-F182 HydrophobicContact CB-CZ 4.18Å; R99-F182 HydrophobicContact CB-CD1 4.32Å; R99-F182 HydrophobicContact CB-CE1 4.3Å; F102-F182 HydrophobicContact CB-CE2 4.08Å; F102-F182 HydrophobicContact CB-CZ 4.14Å; F102-F182 AromaticContact CD1-CE2 3.71Å; F102-F182 HydrophobicContact CD1-CE2 3.71Å; F102-F182 HydrophobicContact CD1-CZ 4.41Å; F102-F182 AromaticContact CD2-CE2 3.84Å; F102-F182 HydrophobicContact CD2-CE2 3.84Å; F102-F182 AromaticContact CD2-CZ 3.75Å; F102-F182 HydrophobicContact CD2-CZ 3.75Å; F102-F182 AromaticContact CE1-CE2 3.9Å; F102-F182 HydrophobicContact CE1-CE2 3.9Å; F102-F182 HydrophobicContact CE2-CE2 4.11Å; F102-F182 HydrophobicContact CE2-CZ 4.19Å; F102-F182 AromaticContact CG-CE2 3.62Å; F102-F182 HydrophobicContact CG-CE2 3.62Å; F102-F182 AromaticContact CG-CZ 3.87Å; F102-F182 HydrophobicContact CG-CZ 3.87Å; F102-F182 HydrophobicContact CZ-CE2 4.12Å; V178-F182 HydrophobicContact CG1-CD2 3.77Å; V178-F182 HydrophobicContact CG1-CE2 4.01Å; V178-F182 WeakPolarHBondContact O-CB 3.33Å; V178-F182 WeakPolarHBondContact O-CD2 3.46Å; V178-F182 PolarHBondContact O-N 3.3Å; E179-F182 PolarHBondContact O-N 3.33Å; Q180-F182 VanDerWaalsContact C-N 3.29Å; Q180-F182 PolarHBondContact O-N 3.12Å; F182-I184 VanDerWaalsContact C-N 3.31Å; F182-I184 PolarHBondContact O-N 2.98Å; F182-V185 PolarHBondContact O-N 3.48Å; F182-T186 WeakPolarHBondContact O-CB 3.25Å; F182-T186 WeakPolarHBondContact O-CG2 3.46Å; F182-T186 PolarHBondContact O-N 2.86Å; F182-T186 PolarHBondContact O-OG1 3.31Å; F182-T186 VanDerWaalsContact O-OG1 3.04Å
183	S	63	Low	59.7	Low	69 Å²	69	55.8 Å²	55.8	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-57.2	-45.3	176.6	-175.6	0	0	0	0	111	E179 Q180 T186 D187	E179-S183 VanDerWaalsContact O-CB 3.32Å; E179-S183 WeakPolarHBondContact O-CB 3.36Å; E179-S183 PolarHBondContact O-N 3.49Å; Q180-S183 WeakPolarHBondContact O-CB 3.23Å; Q180-S183 PolarHBondContact O-N 3.44Å; S183-T186 VanDerWaalsContact CA-OG1 3.28Å; S183-T186 WeakPolarHBondContact CA-OG1 3.44Å; S183-T186 PolarHBondContact O-N 3.44Å; S183-T186 PolarHBondContact O-OG1 3.09Å; S183-D187 WeakPolarHBondContact O-CB 3.48Å; S183-D187 PolarHBondContact O-N 3.19Å
184	I	60.1	Low	59.3	Low	32 Å²	32	57.3 Å²	57.3	16%	0.164	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-43.3	176.8	-65.2	-170.6	0	0	0	111.9	Q180 V181 F182 T186 D187 L188 L204 R207 I211	Q180-I184 WeakPolarHBondContact O-CG1 3.34Å; Q180-I184 PolarHBondContact O-N 2.76Å; V181-I184 PolarHBondContact O-N 2.99Å; F182-I184 VanDerWaalsContact C-N 3.31Å; F182-I184 PolarHBondContact O-N 2.98Å; I184-T186 VanDerWaalsContact C-N 3.31Å; I184-T186 PolarHBondContact O-N 3.37Å; I184-D187 PolarHBondContact O-N 2.74Å; I184-L188 VanDerWaalsContact O-CB 3.26Å; I184-L188 WeakPolarHBondContact O-CB 3.49Å; I184-L188 PolarHBondContact O-N 3.17Å; I184-L204 HydrophobicContact CG2-CD1 3.93Å; I184-R207 HydrophobicContact CD1-CB 4.16Å; I184-R207 HydrophobicContact CG2-CB 3.84Å; I184-I211 HydrophobicContact CD1-CD1 3.27Å; I184-I211 HydrophobicContact CD1-CG1 3.46Å; I184-I211 VanDerWaalsContact CD1-CG1 3.46Å; I184-I211 HydrophobicContact CG1-CD1 4.17Å
185	V	59.1	Low	59	Low	41 Å²	41	62 Å²	62	25%	0.248	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-42.1	175.9	171.9	0	0	0	0	110.4	V95 V181 F182 V189 L204	V95-V185 HydrophobicContact CG1-CG1 4.21Å; V95-V185 HydrophobicContact CG2-CG1 4.25Å; V181-V185 HydrophobicContact CG1-CG2 4.47Å; V181-V185 VanDerWaalsContact O-CG2 3.29Å; V181-V185 WeakPolarHBondContact O-CG2 3.37Å; V181-V185 PolarHBondContact O-N 3.45Å; F182-V185 PolarHBondContact O-N 3.48Å; V185-V189 WeakPolarHBondContact O-CB 3.29Å; V185-V189 VanDerWaalsContact O-CG2 3.26Å; V185-V189 WeakPolarHBondContact O-CG2 3.38Å; V185-V189 PolarHBondContact O-N 3.26Å; V185-L204 HydrophobicContact CG2-CD1 4.11Å
186	T	59.7	Low	58.5	Low	38 Å²	38	68.4 Å²	68.4	23%	0.233	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-46.9	176.4	51.7	0	0	0	0	112	V95 F182 S183 I184 L188 V189 T190	V95-T186 HydrophobicContact CG1-CG2 3.37Å; F182-T186 WeakPolarHBondContact O-CB 3.25Å; F182-T186 WeakPolarHBondContact O-CG2 3.46Å; F182-T186 PolarHBondContact O-N 2.86Å; F182-T186 PolarHBondContact O-OG1 3.31Å; F182-T186 VanDerWaalsContact O-OG1 3.04Å; S183-T186 VanDerWaalsContact CA-OG1 3.28Å; S183-T186 WeakPolarHBondContact CA-OG1 3.44Å; S183-T186 PolarHBondContact O-N 3.44Å; S183-T186 PolarHBondContact O-OG1 3.09Å; I184-T186 VanDerWaalsContact C-N 3.31Å; I184-T186 PolarHBondContact O-N 3.37Å; T186-L188 VanDerWaalsContact C-N 3.3Å; T186-L188 PolarHBondContact O-N 3.47Å; T186-V189 PolarHBondContact O-N 3.4Å; T186-T190 WeakPolarHBondContact O-CB 3.32Å; T186-T190 VanDerWaalsContact O-CG2 3.25Å; T186-T190 WeakPolarHBondContact O-CG2 3.35Å; T186-T190 PolarHBondContact O-N 3.34Å; T186-T190 PolarHBondContact O-OG1 3.49Å
187	D	63.1	Low	57.8	Low	36 Å²	36	72.6 Å²	72.6	19%	0.193	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-41.6	179	-173.5	68	0	0	0	110.8	S183 I184 T190 K191 R207	S183-D187 WeakPolarHBondContact O-CB 3.48Å; S183-D187 PolarHBondContact O-N 3.19Å; I184-D187 PolarHBondContact O-N 2.74Å; D187-T190 WeakPolarHBondContact CA-OG1 3.08Å; D187-T190 PolarHBondContact O-N 2.8Å; D187-T190 PolarHBondContact O-OG1 3.27Å; D187-K191 VanDerWaalsContact O-CB 3.28Å; D187-K191 WeakPolarHBondContact O-CB 3.45Å; D187-K191 PolarHBondContact O-N 3.37Å; D187-K191 WeakPolarHBondContact OD1-CD 3.43Å; D187-K191 WeakPolarHBondContact OD1-CE 3.16Å; D187-K191 IonicContact OD1-NZ 2.69Å; D187-K191 PolarHBondContact OD1-NZ 2.96Å; D187-K191 IonicContact OD2-NZ 2.71Å; D187-R207 IonicContact OD2-CZ 3.7Å; D187-R207 IonicContact OD2-NH1 3.66Å; D187-R207 PolarHBondContact OD2-NH1 3.31Å
188	L	56.8	Low	57.3	Low	16 Å²	16	73.2 Å²	73.2	8%	0.084	37%	0.369	C	S	.	.	H	α-helix	trans	-64.4	-43.9	176.9	-170.9	67.5	0	0	0	111.3	I184 T186 K192 V198 L204	I184-L188 VanDerWaalsContact O-CB 3.26Å; I184-L188 WeakPolarHBondContact O-CB 3.49Å; I184-L188 PolarHBondContact O-N 3.17Å; T186-L188 VanDerWaalsContact C-N 3.3Å; T186-L188 PolarHBondContact O-N 3.47Å; L188-K192 HydrophobicContact CD1-CD 4.09Å; L188-K192 WeakPolarHBondContact O-CB 3.42Å; L188-K192 PolarHBondContact O-N 3.24Å; L188-V198 HydrophobicContact CD2-CG1 4.05Å; L188-V198 HydrophobicContact CG-CG1 4.34Å; L188-V198 HydrophobicContact CG-CG2 4.29Å; L188-L204 HydrophobicContact CD2-CB 3.79Å; L188-L204 HydrophobicContact CD2-CD1 3.69Å; L188-L204 HydrophobicContact CD2-CD2 4.47Å; L188-L204 HydrophobicContact CD2-CG 4.17Å
189	V	58.3	Low	56.8	Low	17 Å²	17	77.1 Å²	77.1	10%	0.103	39%	0.393	C	S	.	.	H	α-helix	trans	-69.7	-38.3	178.4	170.5	0	0	0	0	111.5	H88 I91 V92 V95 V185 T186	H88-V189 PolarHBondContact NE2-O 3.42Å; I91-V189 HydrophobicContact CB-CG1 4.31Å; I91-V189 HydrophobicContact CG2-CG1 3.68Å; I91-V189 HydrophobicContact CG2-CG2 4.03Å; V92-V189 HydrophobicContact CG2-CG1 3.76Å; V95-V189 HydrophobicContact CG2-CG1 4.46Å; V95-V189 HydrophobicContact CG2-CG2 4.09Å; V185-V189 WeakPolarHBondContact O-CB 3.29Å; V185-V189 VanDerWaalsContact O-CG2 3.26Å; V185-V189 WeakPolarHBondContact O-CG2 3.38Å; V185-V189 PolarHBondContact O-N 3.26Å; T186-V189 PolarHBondContact O-N 3.4Å
190	T	59.7	Low	56	Low	68 Å²	68	79.7 Å²	79.7	42%	0.417	40%	0.397	S	S	.	.	H	α-helix	trans	-80	-40.7	-176.2	56.3	0	0	0	0	112.8	T186 D187	T186-T190 WeakPolarHBondContact O-CB 3.32Å; T186-T190 VanDerWaalsContact O-CG2 3.25Å; T186-T190 WeakPolarHBondContact O-CG2 3.35Å; T186-T190 PolarHBondContact O-N 3.34Å; T186-T190 PolarHBondContact O-OG1 3.49Å; D187-T190 WeakPolarHBondContact CA-OG1 3.08Å; D187-T190 PolarHBondContact O-N 2.8Å; D187-T190 PolarHBondContact O-OG1 3.27Å
191	K	63.3	Low	55.5	Low	149 Å²	149	85.3 Å²	85.3	65%	0.648	42%	0.415	S	S	*	.	H	α-helix	trans	-82.6	-36.4	-177.1	-72.5	-174.6	176.7	148.8	0	114.1	D187 R193	D187-K191 VanDerWaalsContact O-CB 3.28Å; D187-K191 WeakPolarHBondContact O-CB 3.45Å; D187-K191 PolarHBondContact O-N 3.37Å; D187-K191 WeakPolarHBondContact OD1-CD 3.43Å; D187-K191 WeakPolarHBondContact OD1-CE 3.16Å; D187-K191 IonicContact OD1-NZ 2.69Å; D187-K191 PolarHBondContact OD1-NZ 2.96Å; D187-K191 IonicContact OD2-NZ 2.71Å; K191-R193 VanDerWaalsContact C-N 3.29Å; K191-R193 PolarHBondContact O-N 3.37Å
192	K	57.5	Low	54.9	Low	39 Å²	39	84.7 Å²	84.7	17%	0.17	42%	0.418	C	S	.	.			trans	-80.8	80.9	175.4	-88.7	-174.7	167	177.1	0	109.9	L188 S194 Q197 V198 D203	L188-K192 HydrophobicContact CD1-CD 4.09Å; L188-K192 WeakPolarHBondContact O-CB 3.42Å; L188-K192 PolarHBondContact O-N 3.24Å; K192-S194 PolarHBondContact O-N 3.44Å; K192-S194 VanDerWaalsContact O-N 3.17Å; K192-Q197 HydrophobicContact CD-CB 3.67Å; K192-Q197 PolarHBondContact NZ-O 3.33Å; K192-V198 HydrophobicContact CB-CG2 3.71Å; K192-V198 HydrophobicContact CD-CG2 4.13Å; K192-D203 IonicContact NZ-OD2 2.73Å; K192-D203 PolarHBondContact NZ-OD2 2.89Å
193	R	51.7	Low	54.2	Low	227 Å²	227	86.6 Å²	86.6	86%	0.857	43%	0.43	S	S	*	.			trans	-61.8	-10.8	169.2	-74	-169.9	176.9	177.8	-0.2	113.6	K191	K191-R193 VanDerWaalsContact C-N 3.29Å; K191-R193 PolarHBondContact O-N 3.37Å
194	S	54.2	Low	53.3	Low	59 Å²	59	86.4 Å²	86.4	41%	0.413	42%	0.423	S	S	.	.			trans	-94.7	105.8	169.6	66.9	0	0	0	0	110.6	K192 L196 Q197	K192-S194 PolarHBondContact O-N 3.44Å; K192-S194 VanDerWaalsContact O-N 3.17Å; S194-L196 PolarHBondContact O-N 3.43Å; S194-Q197 PolarHBondContact O-N 2.84Å; S194-Q197 VanDerWaalsContact O-N 3.07Å
195	Q	52.4	Low	52.8	Low	139 Å²	139	92 Å²	92	65%	0.65	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	-25.9	176.5	-159.1	172.4	10.4	0	0	113.4	G86	G86-Q195 PolarHBondContact O-NE2 3.09Å
196	L	48.3	Very low	52.3	Low	151 Å²	151	95.9 Å²	95.9	79%	0.791	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-25.5	-178.1	-90.2	158.4	0	0	0	115.4	S194	S194-L196 PolarHBondContact O-N 3.43Å
197	Q	42.7	Very low	51.9	Low	96 Å²	96	99.6 Å²	99.6	45%	0.449	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-11	-172.3	-75.6	-153.5	9	0	0	115.3	K192 S194 V199	K192-Q197 HydrophobicContact CD-CB 3.67Å; K192-Q197 PolarHBondContact NZ-O 3.33Å; S194-Q197 PolarHBondContact O-N 2.84Å; S194-Q197 VanDerWaalsContact O-N 3.07Å; Q197-V199 VanDerWaalsContact C-N 3.26Å
198	V	48.9	Very low	51	Low	54 Å²	54	99.8 Å²	99.8	33%	0.327	47%	0.473	S	S	.	.	S	Bend	trans	-71.7	-27.7	171	177.9	0	0	0	0	110.5	L188 K192	L188-V198 HydrophobicContact CD2-CG1 4.05Å; L188-V198 HydrophobicContact CG-CG1 4.34Å; L188-V198 HydrophobicContact CG-CG2 4.29Å; K192-V198 HydrophobicContact CB-CG2 3.71Å; K192-V198 HydrophobicContact CD-CG2 4.13Å
199	V	46.8	Very low	50.6	Low	110 Å²	110	103.8 Å²	103.8	67%	0.667	50%	0.498	S	S	*	.	S	Bend	trans	-85.3	-7.7	179	-168.9	0	0	0	0	112.9	Q197 R201	Q197-V199 VanDerWaalsContact C-N 3.26Å; V199-R201 PolarHBondContact O-N 3.2Å
200	R	46.8	Very low	50.3	Low	192 Å²	192	107.2 Å²	107.2	73%	0.725	52%	0.523	S	S	*	.	S	Bend	trans	-67.1	82.7	160.5	-80.5	-163.5	173.8	-152.9	0.3	107.5	G202 D203	R200-G202 PolarHBondContact O-N 3.05Å; R200-D203 PolarHBondContact O-N 2.95Å
201	R	51.9	Low	50.1	Low	181 Å²	181	104.8 Å²	104.8	68%	0.683	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.7	-4.6	-168.1	-99.2	175.2	165.2	-163.3	-1.7	117.6	V199 R205	V199-R201 PolarHBondContact O-N 3.2Å; R201-R205 WeakPolarHBondContact O-CD 3.41Å; R201-R205 WeakPolarHBondContact O-CG 3.35Å
202	G	47	Very low	49.7	Very low	33 Å²	33	105.8 Å²	105.8	34%	0.34	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-38	-176.2	0	0	0	0	0	115	R200 L204 R205 L206	R200-G202 PolarHBondContact O-N 3.05Å; G202-L204 PolarHBondContact O-N 2.93Å; G202-R205 WeakPolarHBondContact O-CB 3.35Å; G202-R205 PolarHBondContact O-N 3.37Å; G202-L206 PolarHBondContact O-N 3.39Å
203	D	46	Very low	49.6	Very low	71 Å²	71	104.8 Å²	104.8	38%	0.38	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-40.8	-167.2	-77.9	0.7	0	0	0	113.2	K192 R200 R205 R207	K192-D203 IonicContact NZ-OD2 2.73Å; K192-D203 PolarHBondContact NZ-OD2 2.89Å; R200-D203 PolarHBondContact O-N 2.95Å; D203-R205 VanDerWaalsContact C-N 3.31Å; D203-R205 PolarHBondContact O-N 3.28Å; D203-R207 PolarHBondContact O-N 3.17Å; D203-R207 VanDerWaalsContact O-N 3.11Å
204	L	45.8	Very low	49.9	Very low	66 Å²	66	98 Å²	98	35%	0.346	49%	0.492	S	S	.	.	H	α-helix	trans	-66.9	-35.9	176.6	-170.8	65.6	0	0	0	111.1	I184 V185 L188 G202 V208	I184-L204 HydrophobicContact CG2-CD1 3.93Å; V185-L204 HydrophobicContact CG2-CD1 4.11Å; L188-L204 HydrophobicContact CD2-CB 3.79Å; L188-L204 HydrophobicContact CD2-CD1 3.69Å; L188-L204 HydrophobicContact CD2-CD2 4.47Å; L188-L204 HydrophobicContact CD2-CG 4.17Å; G202-L204 PolarHBondContact O-N 2.93Å; L204-V208 HydrophobicContact CD1-CG2 4.25Å; L204-V208 HydrophobicContact CG-CG2 4.38Å; L204-V208 WeakPolarHBondContact O-CB 3.38Å; L204-V208 VanDerWaalsContact O-CG2 3.27Å; L204-V208 WeakPolarHBondContact O-CG2 3.38Å; L204-V208 PolarHBondContact O-N 3.09Å
205	R	48.3	Very low	50	Low	149 Å²	149	97.9 Å²	97.9	56%	0.562	49%	0.486	S	S	*	.	H	α-helix	trans	-63.9	-49.8	178	-62.9	-179.2	80.3	-161.9	6.4	110.2	R201 G202 D203 R207 V208 T209	R201-R205 WeakPolarHBondContact O-CD 3.41Å; R201-R205 WeakPolarHBondContact O-CG 3.35Å; G202-R205 WeakPolarHBondContact O-CB 3.35Å; G202-R205 PolarHBondContact O-N 3.37Å; D203-R205 VanDerWaalsContact C-N 3.31Å; D203-R205 PolarHBondContact O-N 3.28Å; R205-R207 PolarHBondContact O-N 3.19Å; R205-V208 PolarHBondContact O-N 3.35Å; R205-T209 WeakPolarHBondContact O-CG2 3.34Å; R205-T209 PolarHBondContact O-N 3.36Å; R205-T209 PolarHBondContact O-OG1 2.89Å
206	L	48.3	Very low	50	Low	122 Å²	122	95.8 Å²	95.8	64%	0.639	48%	0.48	S	S	*	.	H	α-helix	trans	-59.3	-44	179.8	-95	153.6	0	0	0	112.2	G202 T209 S210	G202-L206 PolarHBondContact O-N 3.39Å; L206-T209 PolarHBondContact O-OG1 3.26Å; L206-S210 PolarHBondContact O-N 3.46Å; L206-S210 PolarHBondContact O-OG 3.09Å
207	R	52.4	Low	50.7	Low	116 Å²	116	97.4 Å²	97.4	44%	0.438	48%	0.475	S	S	.	.	H	α-helix	trans	-71.6	-35.6	-179.5	-78.9	-173.1	155.2	-156.1	-5	113.8	I184 D187 D203 R205 S210 I211	I184-R207 HydrophobicContact CD1-CB 4.16Å; I184-R207 HydrophobicContact CG2-CB 3.84Å; D187-R207 IonicContact OD2-CZ 3.7Å; D187-R207 IonicContact OD2-NH1 3.66Å; D187-R207 PolarHBondContact OD2-NH1 3.31Å; D203-R207 PolarHBondContact O-N 3.17Å; D203-R207 VanDerWaalsContact O-N 3.11Å; R205-R207 PolarHBondContact O-N 3.19Å; R207-S210 PolarHBondContact O-OG 3.09Å; R207-I211 WeakPolarHBondContact O-CG1 3.4Å
208	V	44.6	Very low	51.2	Low	41 Å²	41	94 Å²	94	25%	0.248	46%	0.46	C	S	.	.	H	α-helix	trans	-73.8	-36.1	178.4	173.8	0	0	0	0	111.4	V181 L204 R205 S210 I211	V181-V208 HydrophobicContact CG2-CG1 4.31Å; L204-V208 HydrophobicContact CD1-CG2 4.25Å; L204-V208 HydrophobicContact CG-CG2 4.38Å; L204-V208 WeakPolarHBondContact O-CB 3.38Å; L204-V208 VanDerWaalsContact O-CG2 3.27Å; L204-V208 WeakPolarHBondContact O-CG2 3.38Å; L204-V208 PolarHBondContact O-N 3.09Å; R205-V208 PolarHBondContact O-N 3.35Å; V208-S210 VanDerWaalsContact C-N 3.29Å; V208-S210 PolarHBondContact O-N 3.25Å; V208-I211 WeakPolarHBondContact O-CG1 3.36Å; V208-I211 PolarHBondContact O-N 3.29Å
209	T	48.7	Very low	51.3	Low	100 Å²	100	92.2 Å²	92.2	61%	0.613	45%	0.449	S	S	*	.	H	α-helix	trans	-70.1	-25.5	176.4	49.7	0	0	0	0	113.4	R205 L206 I211	R205-T209 WeakPolarHBondContact O-CG2 3.34Å; R205-T209 PolarHBondContact O-N 3.36Å; R205-T209 PolarHBondContact O-OG1 2.89Å; L206-T209 PolarHBondContact O-OG1 3.26Å; T209-I211 VanDerWaalsContact C-N 3.33Å
210	S	50.7	Low	51.8	Low	88 Å²	88	93.2 Å²	93.2	62%	0.615	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	0.6	178.1	75.6	0	0	0	0	113.8	L206 R207 V208 E212	L206-S210 PolarHBondContact O-N 3.46Å; L206-S210 PolarHBondContact O-OG 3.09Å; R207-S210 PolarHBondContact O-OG 3.09Å; V208-S210 VanDerWaalsContact C-N 3.29Å; V208-S210 PolarHBondContact O-N 3.25Å; S210-E212 PolarHBondContact O-N 3.12Å
211	I	55.3	Low	52	Low	18 Å²	18	87.7 Å²	87.7	9%	0.092	44%	0.437	C	S	.	.			trans	-76	92.4	177.3	-48.9	-179.7	0	0	0	108.4	Q180 V181 I184 R207 V208 T209 P213	Q180-I211 HydrophobicContact CB-CD1 4.29Å; Q180-I211 HydrophobicContact CB-CG2 3.92Å; Q180-I211 HydrophobicContact CG-CG2 4.41Å; V181-I211 HydrophobicContact CG2-CD1 3.97Å; I184-I211 HydrophobicContact CD1-CD1 3.27Å; I184-I211 HydrophobicContact CD1-CG1 3.46Å; I184-I211 VanDerWaalsContact CD1-CG1 3.46Å; I184-I211 HydrophobicContact CG1-CD1 4.17Å; R207-I211 WeakPolarHBondContact O-CG1 3.4Å; V208-I211 WeakPolarHBondContact O-CG1 3.36Å; V208-I211 PolarHBondContact O-N 3.29Å; T209-I211 VanDerWaalsContact C-N 3.33Å; I211-P213 WeakPolarHBondContact O-CD 3.42Å
212	E	56.2	Low	52.1	Low	170 Å²	170	80.2 Å²	80.2	79%	0.794	41%	0.41	S	S	*	.			trans	-82.6	116.5	163	-162.7	171.4	179.4	0	0	108.2	S210 N214	S210-E212 PolarHBondContact O-N 3.12Å; E212-N214 PolarHBondContact O-N 3.44Å; E212-N214 VanDerWaalsContact O-N 3.08Å
213	P	54.4	Low	52.3	Low	18 Å²	18	83.5 Å²	83.5	12%	0.117	42%	0.419	C	S	.	.			trans	-63.3	117.5	-179.2	24	-31.4	0	0	0	108.7	M48 L173 L177 I211 I215 L218	M48-P213 HydrophobicContact CE-CG 4.19Å; L173-P213 HydrophobicContact CD2-CB 4.13Å; L173-P213 HydrophobicContact CD2-CG 4.15Å; L177-P213 HydrophobicContact CD2-CB 3.79Å; L177-P213 HydrophobicContact CD2-CG 3.93Å; L177-P213 HydrophobicContact CG-CB 4.27Å; I211-P213 WeakPolarHBondContact O-CD 3.42Å; P213-I215 VanDerWaalsContact C-N 3.26Å; P213-I215 WeakPolarHBondContact O-CG1 3.36Å; P213-I215 PolarHBondContact O-N 2.89Å; P213-L218 HydrophobicContact CB-CD1 4.36Å
214	N	58.4	Low	52.7	Low	84 Å²	84	89.2 Å²	89.2	45%	0.449	44%	0.436	S	S	.	.			trans	-71.7	86.9	174.8	-170.3	-37.5	0	0	0	109.3	E212 N216 R217 L218	E212-N214 PolarHBondContact O-N 3.44Å; E212-N214 VanDerWaalsContact O-N 3.08Å; N214-N216 PolarHBondContact O-N 3.42Å; N214-N216 PolarHBondContact OD1-N 2.98Å; N214-R217 HydrophobicContact CB-CB 4.26Å; N214-R217 PolarHBondContact O-N 3.09Å; N214-R217 VanDerWaalsContact O-N 3.09Å; N214-R217 PolarHBondContact OD1-N 2.68Å; N214-R217 VanDerWaalsContact OD1-N 3.15Å; N214-L218 PolarHBondContact O-N 2.78Å
215	I	55.3	Low	53.1	Low	56 Å²	56	91 Å²	91	29%	0.287	44%	0.442	S	S	.	.	H	α-helix	trans	-54.1	-37.1	-175.7	-49.5	-179.6	0	0	0	110.7	L173 P213 L218 V219	L173-I215 HydrophobicContact CD2-CG1 4.31Å; P213-I215 VanDerWaalsContact C-N 3.26Å; P213-I215 WeakPolarHBondContact O-CG1 3.36Å; P213-I215 PolarHBondContact O-N 2.89Å; I215-L218 VanDerWaalsContact O-CB 3.24Å; I215-L218 WeakPolarHBondContact O-CB 3.41Å; I215-L218 PolarHBondContact O-N 3.43Å; I215-V219 HydrophobicContact CG2-CG2 4.41Å; I215-V219 WeakPolarHBondContact O-CG2 3.47Å; I215-V219 PolarHBondContact O-N 3.29Å
216	N	52.5	Low	53.1	Low	95 Å²	95	87.9 Å²	87.9	51%	0.508	44%	0.436	S	S	.	.	H	α-helix	trans	-64.7	-45	179.3	-73.8	-29.1	0	0	0	112.3	N214 L218 V219 Q220	N214-N216 PolarHBondContact O-N 3.42Å; N214-N216 PolarHBondContact OD1-N 2.98Å; N216-L218 VanDerWaalsContact C-N 3.3Å; N216-L218 PolarHBondContact O-N 3.2Å; N216-V219 PolarHBondContact O-N 2.89Å; N216-Q220 WeakPolarHBondContact O-CG 3.25Å; N216-Q220 PolarHBondContact O-N 2.78Å
217	R	62.8	Low	53	Low	186 Å²	186	86.1 Å²	86.1	70%	0.702	43%	0.434	S	S	*	.	H	α-helix	trans	-61.3	-41.1	175.6	-85.4	-171.9	157.5	-164.8	-4.6	112	N214 Q220 S221	N214-R217 HydrophobicContact CB-CB 4.26Å; N214-R217 PolarHBondContact O-N 3.09Å; N214-R217 VanDerWaalsContact O-N 3.09Å; N214-R217 PolarHBondContact OD1-N 2.68Å; N214-R217 VanDerWaalsContact OD1-N 3.15Å; R217-Q220 PolarHBondContact O-N 3.44Å; R217-S221 PolarHBondContact O-N 3.39Å; R217-S221 PolarHBondContact O-OG 3.16Å
218	L	54.1	Low	52.9	Low	23 Å²	23	84.8 Å²	84.8	12%	0.12	44%	0.443	C	S	.	.	H	α-helix	trans	-58.1	-50.8	177.2	-107.2	141.3	0	0	0	113.1	L172 L173 S176 P213 N214 I215 N216 Q220 S221 H222	L172-L218 HydrophobicContact CB-CD2 3.92Å; L172-L218 WeakPolarHBondContact O-CD2 3.37Å; L173-L218 HydrophobicContact CD2-CD1 4.46Å; S176-L218 VanDerWaalsContact CB-CG 3.43Å; S176-L218 WeakPolarHBondContact OG-CD1 3.47Å; S176-L218 WeakPolarHBondContact OG-CD2 3.28Å; S176-L218 WeakPolarHBondContact OG-CG 3.22Å; P213-L218 HydrophobicContact CB-CD1 4.36Å; N214-L218 PolarHBondContact O-N 2.78Å; I215-L218 VanDerWaalsContact O-CB 3.24Å; I215-L218 WeakPolarHBondContact O-CB 3.41Å; I215-L218 PolarHBondContact O-N 3.43Å; N216-L218 VanDerWaalsContact C-N 3.3Å; N216-L218 PolarHBondContact O-N 3.2Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-S221 PolarHBondContact O-N 3.25Å; L218-H222 PolarHBondContact O-N 2.91Å; L218-H222 VanDerWaalsContact O-N 3.09Å
219	V	50.9	Low	53.1	Low	18 Å²	18	87.3 Å²	87.3	11%	0.109	46%	0.462	C	S	.	.	H	α-helix	trans	-63.3	-42.8	177.9	170.7	0	0	0	0	110.2	Y145 I215 N216 S221 H222 L223	Y145-V219 HydrophobicContact CD2-CG1 4.47Å; Y145-V219 HydrophobicContact CD2-CG2 4.05Å; Y145-V219 HydrophobicContact CE2-CB 4.35Å; Y145-V219 HydrophobicContact CE2-CG1 3.75Å; Y145-V219 HydrophobicContact CE2-CG2 3.75Å; I215-V219 HydrophobicContact CG2-CG2 4.41Å; I215-V219 WeakPolarHBondContact O-CG2 3.47Å; I215-V219 PolarHBondContact O-N 3.29Å; N216-V219 PolarHBondContact O-N 2.89Å; V219-S221 PolarHBondContact O-N 3.04Å; V219-H222 PolarHBondContact O-N 3.44Å; V219-L223 HydrophobicContact CG1-CD1 3.75Å; V219-L223 HydrophobicContact CG1-CG 4.17Å; V219-L223 WeakPolarHBondContact O-CB 3.4Å; V219-L223 WeakPolarHBondContact O-CG 3.12Å; V219-L223 PolarHBondContact O-N 3.34Å
220	Q	56.2	Low	52.6	Low	131 Å²	131	94 Å²	94	61%	0.612	49%	0.486	S	S	*	.	H	α-helix	trans	-62.1	-43.4	177.9	-77.8	-172.6	0.4	0	0	112.9	N216 R217 L218 H222 L223 R224	N216-Q220 WeakPolarHBondContact O-CG 3.25Å; N216-Q220 PolarHBondContact O-N 2.78Å; R217-Q220 PolarHBondContact O-N 3.44Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; Q220-H222 VanDerWaalsContact C-N 3.31Å; Q220-H222 PolarHBondContact O-N 2.91Å; Q220-L223 PolarHBondContact O-N 2.94Å; Q220-R224 WeakPolarHBondContact O-CB 3.27Å; Q220-R224 PolarHBondContact O-N 2.8Å
221	S	52.9	Low	52.7	Low	75 Å²	75	94.3 Å²	94.3	52%	0.524	48%	0.479	S	S	.	.	H	α-helix	trans	-60.7	-42.9	175.6	-71.4	0	0	0	0	111.5	R217 L218 V219 R224 E225	R217-S221 PolarHBondContact O-N 3.39Å; R217-S221 PolarHBondContact O-OG 3.16Å; L218-S221 PolarHBondContact O-N 3.25Å; V219-S221 PolarHBondContact O-N 3.04Å; S221-R224 PolarHBondContact O-N 2.83Å; S221-E225 PolarHBondContact O-N 2.82Å
222	H	53	Low	52.6	Low	24 Å²	24	98.3 Å²	98.3	11%	0.111	50%	0.499	C	S	.	.	H	α-helix	trans	-68.1	-42.5	178.7	-165.8	57	0	0	0	112.7	L172 L218 V219 Q220 R224 E225 L226	L172-H222 HydrophobicContact CD1-CB 4.29Å; L172-H222 HydrophobicContact CD2-CB 3.87Å; L218-H222 PolarHBondContact O-N 2.91Å; L218-H222 VanDerWaalsContact O-N 3.09Å; V219-H222 PolarHBondContact O-N 3.44Å; Q220-H222 VanDerWaalsContact C-N 3.31Å; Q220-H222 PolarHBondContact O-N 2.91Å; H222-R224 VanDerWaalsContact C-N 3.29Å; H222-R224 PolarHBondContact O-N 3.34Å; H222-E225 PolarHBondContact O-N 2.61Å; H222-L226 WeakPolarHBondContact O-CG 3.4Å; H222-L226 PolarHBondContact O-N 2.84Å
223	L	52.1	Low	52.4	Low	103 Å²	103	94.3 Å²	94.3	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-38.3	175.2	-74.7	174.5	0	0	0	111.5	V219 Q220 L226 S227	V219-L223 HydrophobicContact CG1-CD1 3.75Å; V219-L223 HydrophobicContact CG1-CG 4.17Å; V219-L223 WeakPolarHBondContact O-CB 3.4Å; V219-L223 WeakPolarHBondContact O-CG 3.12Å; V219-L223 PolarHBondContact O-N 3.34Å; Q220-L223 PolarHBondContact O-N 2.94Å; L223-L226 PolarHBondContact O-N 3.49Å; L223-S227 WeakPolarHBondContact O-CB 3.31Å; L223-S227 PolarHBondContact O-N 3.03Å; L223-S227 PolarHBondContact O-OG 3.38Å; L223-S227 VanDerWaalsContact O-OG 3.09Å
224	R	53.5	Low	52.3	Low	191 Å²	191	98.8 Å²	98.8	72%	0.721	51%	0.505	S	S	*	.	H	α-helix	trans	-62.8	-46.6	175.8	-174.2	179.9	-71.9	177.6	-3.6	111.5	Q220 S221 H222 L226 S227 S228	Q220-R224 WeakPolarHBondContact O-CB 3.27Å; Q220-R224 PolarHBondContact O-N 2.8Å; S221-R224 PolarHBondContact O-N 2.83Å; H222-R224 VanDerWaalsContact C-N 3.29Å; H222-R224 PolarHBondContact O-N 3.34Å; R224-L226 VanDerWaalsContact C-N 3.33Å; R224-L226 PolarHBondContact O-N 3.35Å; R224-S227 WeakPolarHBondContact CA-OG 3.28Å; R224-S227 PolarHBondContact O-N 3.45Å; R224-S227 PolarHBondContact O-OG 2.84Å; R224-S228 PolarHBondContact O-N 3.1Å; R224-S228 VanDerWaalsContact O-N 3.12Å
225	E	54.3	Low	51.9	Low	103 Å²	103	99.7 Å²	99.7	48%	0.481	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-38.4	176	-76.7	179.9	174.8	0	0	112.8	S221 H222 S228	S221-E225 PolarHBondContact O-N 2.82Å; H222-E225 PolarHBondContact O-N 2.61Å; E225-S228 PolarHBondContact O-OG 3.39Å
226	L	48	Very low	51.6	Low	84 Å²	84	102.6 Å²	102.6	44%	0.44	52%	0.523	S	S	.	.	H	α-helix	trans	-67.2	-40.1	175.2	-76.7	166.2	0	0	0	111.7	H222 L223 R224 S228	H222-L226 WeakPolarHBondContact O-CG 3.4Å; H222-L226 PolarHBondContact O-N 2.84Å; L223-L226 PolarHBondContact O-N 3.49Å; R224-L226 VanDerWaalsContact C-N 3.33Å; R224-L226 PolarHBondContact O-N 3.35Å; L226-S228 VanDerWaalsContact C-N 3.34Å; L226-S228 PolarHBondContact O-N 3.06Å
227	S	47.5	Very low	51.6	Low	84 Å²	84	103.1 Å²	103.1	59%	0.587	52%	0.524	S	S	*	.	H	α-helix	trans	-71.3	-23.9	-179.5	59.5	0	0	0	0	114.2	L223 R224 S229	L223-S227 WeakPolarHBondContact O-CB 3.31Å; L223-S227 PolarHBondContact O-N 3.03Å; L223-S227 PolarHBondContact O-OG 3.38Å; L223-S227 VanDerWaalsContact O-OG 3.09Å; R224-S227 WeakPolarHBondContact CA-OG 3.28Å; R224-S227 PolarHBondContact O-N 3.45Å; R224-S227 PolarHBondContact O-OG 2.84Å; S227-S229 VanDerWaalsContact C-N 3.32Å
228	S	49.8	Very low	50.7	Low	89 Å²	89	96.8 Å²	96.8	62%	0.622	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.4	-179.7	72.9	0	0	0	0	114.1	R224 E225 L226 H230	R224-S228 PolarHBondContact O-N 3.1Å; R224-S228 VanDerWaalsContact O-N 3.12Å; E225-S228 PolarHBondContact O-OG 3.39Å; L226-S228 VanDerWaalsContact C-N 3.34Å; L226-S228 PolarHBondContact O-N 3.06Å; S228-H230 VanDerWaalsContact C-N 3.33Å
229	S	47.5	Very low	50.4	Low	94 Å²	94	102.9 Å²	102.9	66%	0.657	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	19.6	178.3	-63.1	0	0	0	0	113.1	S227	S227-S229 VanDerWaalsContact C-N 3.32Å
230	H	39.6	Very low	50.4	Low	239 Å²	239	110.6 Å²	110.6	100%	1.106	58%	0.582	S	S	*	*			trans	-114.1	0	175.1	-139.4	-53.2	0	0	0	110.7	S228	S228-H230 VanDerWaalsContact C-N 3.33Å

Retrieved 230 of 230 residues in 56.2 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).