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Calponin

Thin filament-associated protein that is implicated in the regulation and modulation of smooth muscle contraction. It is capable of binding to actin, calmodulin and tropomyosin. The interaction of calponin with actin inhibits the actomyosin Mg-ATPase activity.

AlphaFold DB , UniProt , Accession A0A087X271, Species HUMAN (Homo sapiens, Human), Gene CNN2, Length 179 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	39.9	Very low	247 Å²	247	136.3 Å²	136.3	100%	1.217	77%	0.768	S	S	*	*				0	103.4	0	-66.4	-168.7	172.2	0	0	107.2
2	S	36.2	Very low	39.5	Very low	117 Å²	117	141.5 Å²	141.5	82%	0.818	77%	0.769	S	S	*	*			trans	-100	111.2	-177.3	-164	0	0	0	0	108.4	T4	S2-T4 PolarHBondContact O-N 2.9Å
3	S	36	Very low	40.9	Very low	111 Å²	111	134.4 Å²	134.4	78%	0.776	75%	0.749	S	S	*	*			trans	-75.4	99.2	178	46.7	0	0	0	0	109.8	Q5	S3-Q5 PolarHBondContact O-N 3.34Å; S3-Q5 VanDerWaalsContact O-N 3.11Å
4	T	42.3	Very low	40.6	Very low	121 Å²	121	134.6 Å²	134.6	74%	0.742	75%	0.747	S	S	*	*			trans	-67.3	103.9	171.4	-29.4	0	0	0	0	109.2	S2 F6	S2-T4 PolarHBondContact O-N 2.9Å; T4-F6 PolarHBondContact O-N 3.04Å
5	Q	37.7	Very low	40.2	Very low	164 Å²	164	131.5 Å²	131.5	77%	0.766	74%	0.738	S	S	*	*			trans	-79.5	104.2	178.4	-145.1	162.5	15.1	0	0	108.5	S3 N7	S3-Q5 PolarHBondContact O-N 3.34Å; S3-Q5 VanDerWaalsContact O-N 3.11Å; Q5-N7 VanDerWaalsContact C-N 3.28Å; Q5-N7 PolarHBondContact O-N 3.37Å
6	F	40.7	Very low	39.6	Very low	203 Å²	203	125.5 Å²	125.5	89%	0.89	71%	0.71	S	S	*	*			trans	-67.6	84	171.2	-85.6	-92.5	0	0	0	109.8	T4 K8	T4-F6 PolarHBondContact O-N 3.04Å; F6-K8 PolarHBondContact O-N 3.48Å
7	N	44.7	Very low	39.3	Very low	121 Å²	121	123.9 Å²	123.9	65%	0.647	70%	0.695	S	S	*	*			trans	-95.3	94.5	171.8	-103.2	-50.1	0	0	0	110	Q5	Q5-N7 VanDerWaalsContact C-N 3.28Å; Q5-N7 PolarHBondContact O-N 3.37Å
8	K	46.3	Very low	39	Very low	180 Å²	180	121.3 Å²	121.3	78%	0.783	68%	0.683	S	S	*	*			trans	68.9	107.8	162.5	-57.8	177.8	-179.1	179.5	0	115.7	F6	F6-K8 PolarHBondContact O-N 3.48Å
9	G	38.9	Very low	38.6	Very low	65 Å²	65	120.6 Å²	120.6	67%	0.67	67%	0.671	S	S	*	*			trans	-66.1	166.7	164.5	0	0	0	0	0	112.2	S11	G9-S11 PolarHBondContact O-N 3.31Å
10	P	43.8	Very low	38.4	Very low	97 Å²	97	120 Å²	120	63%	0.63	67%	0.667	S	S	*	*			trans	-60.1	135	-175	-12.5	24.1	0	0	0	111.1	Y12	P10-Y12 HydrophobicContact CB-CD2 4.27Å; P10-Y12 HydrophobicContact CB-CE2 3.61Å; P10-Y12 HydrophobicContact CG-CE2 4.05Å; P10-Y12 VanDerWaalsContact O-CD2 3.25Å; P10-Y12 WeakPolarHBondContact O-CD2 3.32Å; P10-Y12 PolarHBondContact O-N 2.94Å
11	S	37.9	Very low	38.4	Very low	73 Å²	73	122 Å²	122	51%	0.51	67%	0.665	S	S	.	*			trans	-72.8	113.2	179.5	62.2	0	0	0	0	110.5	G9	G9-S11 PolarHBondContact O-N 3.31Å
12	Y	35.2	Very low	38.4	Very low	199 Å²	199	112.1 Å²	112.1	78%	0.78	62%	0.616	S	S	*	*			trans	-113.1	150.5	171.2	-64.6	-77.8	0	0	0	110.7	P10	P10-Y12 HydrophobicContact CB-CD2 4.27Å; P10-Y12 HydrophobicContact CB-CE2 3.61Å; P10-Y12 HydrophobicContact CG-CE2 4.05Å; P10-Y12 VanDerWaalsContact O-CD2 3.25Å; P10-Y12 WeakPolarHBondContact O-CD2 3.32Å; P10-Y12 PolarHBondContact O-N 2.94Å
13	G	57	Low	38.3	Very low	49 Å²	49	111.3 Å²	111.3	51%	0.505	60%	0.602	S	S	.	*	S	Bend	trans	95.3	-149.2	171.9	0	0	0	0	0	115.7	S15 A16 E17	G13-S15 PolarHBondContact O-N 3.31Å; G13-S15 VanDerWaalsContact O-N 3.1Å; G13-A16 WeakPolarHBondContact O-CB 3.23Å; G13-A16 PolarHBondContact O-N 2.87Å; G13-E17 PolarHBondContact O-N 3.4Å
14	L	37	Very low	38.4	Very low	138 Å²	138	110.7 Å²	110.7	72%	0.723	60%	0.598	S	S	*	*	H	α-helix	trans	-51.2	-35.4	-176	-120	86.3	0	0	0	113.2	A16 E17 V18	L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 3.45Å; L14-E17 PolarHBondContact O-N 2.84Å; L14-V18 WeakPolarHBondContact O-CB 3.38Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.37Å; L14-V18 PolarHBondContact O-N 2.86Å
15	S	33.9	Very low	38.6	Very low	87 Å²	87	113 Å²	113	61%	0.608	60%	0.598	S	S	*	*	H	α-helix	trans	-66.7	-29.8	177.5	-64.1	0	0	0	0	113.5	G13 K19	G13-S15 PolarHBondContact O-N 3.31Å; G13-S15 VanDerWaalsContact O-N 3.1Å; S15-K19 VanDerWaalsContact O-CB 3.25Å; S15-K19 WeakPolarHBondContact O-CB 3.4Å; S15-K19 PolarHBondContact O-N 3.11Å; S15-K19 VanDerWaalsContact O-N 3.17Å
16	A	31.7	Very low	39.1	Very low	36 Å²	36	108.9 Å²	108.9	30%	0.298	58%	0.576	S	S	.	*	H	α-helix	trans	-77.8	-36.6	174.9	0	0	0	0	0	111.5	G13 L14 K19 N20	G13-A16 WeakPolarHBondContact O-CB 3.23Å; G13-A16 PolarHBondContact O-N 2.87Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 3.45Å; A16-K19 PolarHBondContact O-N 3.42Å; A16-N20 WeakPolarHBondContact O-CB 3.23Å; A16-N20 PolarHBondContact O-N 2.98Å
17	E	33.3	Very low	40	Very low	98 Å²	98	101.8 Å²	101.8	46%	0.458	55%	0.547	S	S	.	.	H	α-helix	trans	-67.6	-42	174	-98.1	-168.4	101.8	0	0	112.8	G13 L14 K19 N20 R21	G13-E17 PolarHBondContact O-N 3.4Å; L14-E17 PolarHBondContact O-N 2.84Å; E17-K19 VanDerWaalsContact C-N 3.35Å; E17-N20 PolarHBondContact O-N 3.49Å; E17-R21 WeakPolarHBondContact O-CB 3.3Å; E17-R21 VanDerWaalsContact O-CG 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.45Å; E17-R21 PolarHBondContact O-N 3.35Å; E17-R21 IonicContact OE1-CZ 3.93Å; E17-R21 IonicContact OE1-NH2 3.6Å; E17-R21 PolarHBondContact OE1-NH2 3.4Å
18	V	34.1	Very low	41	Very low	77 Å²	77	100.2 Å²	100.2	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-62.9	-44.8	174.9	171.9	0	0	0	0	109.7	L14 N20 R21 L22	L14-V18 WeakPolarHBondContact O-CB 3.38Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.37Å; L14-V18 PolarHBondContact O-N 2.86Å; V18-N20 PolarHBondContact O-N 2.67Å; V18-R21 PolarHBondContact O-N 3.27Å; V18-L22 HydrophobicContact CG1-CD1 3.67Å; V18-L22 WeakPolarHBondContact O-CB 3.12Å; V18-L22 WeakPolarHBondContact O-CD1 3.49Å; V18-L22 PolarHBondContact O-N 3.39Å
19	K	32	Very low	41.9	Very low	108 Å²	108	98.4 Å²	98.4	47%	0.47	54%	0.538	S	S	.	.	H	α-helix	trans	-61.4	-39.9	174.6	-164.9	174	-176.4	176.6	0	112.6	S15 A16 E17 L22 L23	S15-K19 VanDerWaalsContact O-CB 3.25Å; S15-K19 WeakPolarHBondContact O-CB 3.4Å; S15-K19 PolarHBondContact O-N 3.11Å; S15-K19 VanDerWaalsContact O-N 3.17Å; A16-K19 PolarHBondContact O-N 3.42Å; E17-K19 VanDerWaalsContact C-N 3.35Å; K19-L22 PolarHBondContact O-N 2.98Å; K19-L23 HydrophobicContact CG-CD1 4.16Å; K19-L23 WeakPolarHBondContact O-CB 3.4Å; K19-L23 WeakPolarHBondContact O-CD1 3.43Å; K19-L23 VanDerWaalsContact O-CG 3.29Å; K19-L23 WeakPolarHBondContact O-CG 3.41Å; K19-L23 PolarHBondContact O-N 2.81Å
20	N	33.3	Very low	43.1	Very low	109 Å²	109	97.9 Å²	97.9	58%	0.583	52%	0.517	S	S	*	.	H	α-helix	trans	-69.4	-37	176	-109	6	0	0	0	113.2	A16 E17 V18 L22 L23 S24	A16-N20 WeakPolarHBondContact O-CB 3.23Å; A16-N20 PolarHBondContact O-N 2.98Å; E17-N20 PolarHBondContact O-N 3.49Å; V18-N20 PolarHBondContact O-N 2.67Å; N20-L22 VanDerWaalsContact C-N 3.34Å; N20-L23 PolarHBondContact O-N 3.17Å; N20-S24 WeakPolarHBondContact O-CB 3.46Å; N20-S24 PolarHBondContact O-N 2.84Å; N20-S24 PolarHBondContact O-OG 2.78Å
21	R	38.9	Very low	44.3	Very low	163 Å²	163	94.9 Å²	94.9	62%	0.615	50%	0.495	S	S	*	.	H	α-helix	trans	-69.8	-33	175.3	-71.3	176.5	-166.9	-172.8	7.8	112.1	E17 V18	E17-R21 WeakPolarHBondContact O-CB 3.3Å; E17-R21 VanDerWaalsContact O-CG 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.45Å; E17-R21 PolarHBondContact O-N 3.35Å; E17-R21 IonicContact OE1-CZ 3.93Å; E17-R21 IonicContact OE1-NH2 3.6Å; E17-R21 PolarHBondContact OE1-NH2 3.4Å; V18-R21 PolarHBondContact O-N 3.27Å
22	L	34.8	Very low	45.8	Very low	38 Å²	38	93.9 Å²	93.9	20%	0.199	49%	0.491	C	S	.	.	H	α-helix	trans	-69.4	-48.9	171	-91.4	130.5	0	0	0	110.5	V18 K19 N20 S24 K25 N116 T118 Q119	V18-L22 HydrophobicContact CG1-CD1 3.67Å; V18-L22 WeakPolarHBondContact O-CB 3.12Å; V18-L22 WeakPolarHBondContact O-CD1 3.49Å; V18-L22 PolarHBondContact O-N 3.39Å; K19-L22 PolarHBondContact O-N 2.98Å; N20-L22 VanDerWaalsContact C-N 3.34Å; L22-S24 VanDerWaalsContact C-N 3.26Å; L22-S24 PolarHBondContact O-N 3.1Å; L22-K25 PolarHBondContact O-N 2.8Å; L22-K25 VanDerWaalsContact O-N 3.15Å; L22-N116 VanDerWaalsContact CD1-OD1 3.3Å; L22-N116 WeakPolarHBondContact CD1-OD1 3.37Å; L22-N116 WeakPolarHBondContact CD2-OD1 3.39Å; L22-T118 VanDerWaalsContact CB-OG1 3.27Å; L22-T118 WeakPolarHBondContact CB-OG1 3.29Å; L22-T118 WeakPolarHBondContact CD2-OG1 3.46Å; L22-T118 VanDerWaalsContact O-CB 3.23Å; L22-T118 WeakPolarHBondContact O-CB 3.3Å; L22-T118 WeakPolarHBondContact O-CG2 3.45Å; L22-T118 PolarHBondContact O-OG1 3.29Å; L22-T118 VanDerWaalsContact O-OG1 3.07Å; L22-Q119 HydrophobicContact CD2-CG 4.18Å
23	L	34.8	Very low	47.6	Very low	100 Å²	100	88.9 Å²	88.9	52%	0.524	48%	0.475	S	S	.	.	H	α-helix	trans	-61.2	-31.3	176.5	-75.1	161.8	0	0	0	113.6	K19 N20 K25 Y26	K19-L23 HydrophobicContact CG-CD1 4.16Å; K19-L23 WeakPolarHBondContact O-CB 3.4Å; K19-L23 WeakPolarHBondContact O-CD1 3.43Å; K19-L23 VanDerWaalsContact O-CG 3.29Å; K19-L23 WeakPolarHBondContact O-CG 3.41Å; K19-L23 PolarHBondContact O-N 2.81Å; N20-L23 PolarHBondContact O-N 3.17Å; L23-K25 PolarHBondContact O-N 2.86Å; L23-K25 VanDerWaalsContact O-N 3.11Å; L23-Y26 WeakPolarHBondContact O-CB 3.33Å; L23-Y26 PolarHBondContact O-N 3.22Å
24	S	37.5	Very low	48.2	Very low	99 Å²	99	86.8 Å²	86.8	69%	0.692	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.8	177.9	-61.7	0	0	0	0	113.8	N20 L22	N20-S24 WeakPolarHBondContact O-CB 3.46Å; N20-S24 PolarHBondContact O-N 2.84Å; N20-S24 PolarHBondContact O-OG 2.78Å; L22-S24 VanDerWaalsContact C-N 3.26Å; L22-S24 PolarHBondContact O-N 3.1Å
25	K	47.3	Very low	50.1	Low	170 Å²	170	83.4 Å²	83.4	74%	0.739	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	0.8	177.8	-64.6	-173.2	179.7	-175	0	114	L22 L23 D27	L22-K25 PolarHBondContact O-N 2.8Å; L22-K25 VanDerWaalsContact O-N 3.15Å; L23-K25 PolarHBondContact O-N 2.86Å; L23-K25 VanDerWaalsContact O-N 3.11Å; K25-D27 PolarHBondContact O-N 3.05Å
26	Y	48.5	Very low	52.2	Low	76 Å²	76	84 Å²	84	30%	0.298	43%	0.43	S	S	.	.			trans	-75	119	-179.5	-177.1	-100.2	0	0	0	109.1	L23 P28 E31 M117 T118	L23-Y26 WeakPolarHBondContact O-CB 3.33Å; L23-Y26 PolarHBondContact O-N 3.22Å; Y26-P28 HydrophobicContact CE1-CB 4.49Å; Y26-E31 VanDerWaalsContact CE2-OE2 3.31Å; Y26-E31 WeakPolarHBondContact CE2-OE2 3.36Å; Y26-E31 VanDerWaalsContact CZ-OE2 3.22Å; Y26-E31 PolarHBondContact OH-OE1 3.47Å; Y26-E31 PolarHBondContact OH-OE2 3.26Å; Y26-M117 HydrophobicContact CD2-CG 4.42Å; Y26-M117 HydrophobicContact CE2-CG 3.96Å; Y26-T118 HydrophobicContact CD2-CG2 4.17Å; Y26-T118 HydrophobicContact CG-CG2 4.34Å
27	D	58.9	Low	54.5	Low	54 Å²	54	84.5 Å²	84.5	29%	0.289	42%	0.424	S	S	.	.			trans	-114.3	106.1	-178.4	-169.7	-13.9	0	0	0	108.4	K25 Q29 K30 E31 Q121	K25-D27 PolarHBondContact O-N 3.05Å; D27-Q29 PolarHBondContact O-N 3.43Å; D27-Q29 VanDerWaalsContact O-N 3.07Å; D27-Q29 WeakPolarHBondContact OD1-CB 3.22Å; D27-Q29 PolarHBondContact OD1-N 3.33Å; D27-K30 HydrophobicContact CB-CB 4.29Å; D27-K30 HydrophobicContact CB-CD 4.07Å; D27-K30 HydrophobicContact CB-CG 4.02Å; D27-K30 PolarHBondContact O-N 2.83Å; D27-K30 WeakPolarHBondContact OD2-CE 3.29Å; D27-E31 PolarHBondContact O-N 2.86Å; D27-Q121 PolarHBondContact O-OE1 3.06Å
28	P	65.1	Low	56.5	Low	89 Å²	89	80 Å²	80	58%	0.578	40%	0.403	S	S	*	.	H	α-helix	trans	-60.1	-22.6	-177.2	23.4	-31.9	0	0	0	112.3	Y26 A32	Y26-P28 HydrophobicContact CE1-CB 4.49Å; P28-A32 PolarHBondContact O-N 3.03Å
29	Q	65.9	Low	58.9	Low	142 Å²	142	78.7 Å²	78.7	66%	0.664	39%	0.392	S	S	*	.	H	α-helix	trans	-71.1	-41	177.6	-141.1	168.1	6.6	0	0	111.6	D27 E31 A32 E33	D27-Q29 PolarHBondContact O-N 3.43Å; D27-Q29 VanDerWaalsContact O-N 3.07Å; D27-Q29 WeakPolarHBondContact OD1-CB 3.22Å; D27-Q29 PolarHBondContact OD1-N 3.33Å; Q29-E31 VanDerWaalsContact C-N 3.32Å; Q29-E31 PolarHBondContact O-N 3.33Å; Q29-A32 PolarHBondContact O-N 3.31Å; Q29-E33 PolarHBondContact O-N 3.28Å; Q29-E33 VanDerWaalsContact O-N 3.17Å
30	K	63.7	Low	61.2	Low	53 Å²	53	76.7 Å²	76.7	23%	0.23	40%	0.402	C	S	.	.	H	α-helix	trans	-68.3	-32.4	175.5	-65.7	-175.9	-164.5	164.7	0	112.3	D27 A32 E33 L34 K125	D27-K30 HydrophobicContact CB-CB 4.29Å; D27-K30 HydrophobicContact CB-CD 4.07Å; D27-K30 HydrophobicContact CB-CG 4.02Å; D27-K30 PolarHBondContact O-N 2.83Å; D27-K30 WeakPolarHBondContact OD2-CE 3.29Å; K30-A32 VanDerWaalsContact C-N 3.31Å; K30-A32 PolarHBondContact O-N 3.45Å; K30-E33 PolarHBondContact O-N 2.84Å; K30-L34 VanDerWaalsContact O-CB 3.29Å; K30-L34 WeakPolarHBondContact O-CB 3.42Å; K30-L34 WeakPolarHBondContact O-CD1 3.25Å; K30-L34 VanDerWaalsContact O-CG 3.25Å; K30-L34 WeakPolarHBondContact O-CG 3.39Å; K30-L34 PolarHBondContact O-N 2.71Å; K30-K125 HydrophobicContact CD-CD 4.38Å
31	E	68.4	Low	63.4	Low	34 Å²	34	74.6 Å²	74.6	16%	0.159	39%	0.39	C	S	.	.	H	α-helix	trans	-58.8	-46.9	173.2	-166.4	164.1	110.6	0	0	111.6	Y26 D27 Q29 L34 R35 F50 Q121	Y26-E31 VanDerWaalsContact CE2-OE2 3.31Å; Y26-E31 WeakPolarHBondContact CE2-OE2 3.36Å; Y26-E31 VanDerWaalsContact CZ-OE2 3.22Å; Y26-E31 PolarHBondContact OH-OE1 3.47Å; Y26-E31 PolarHBondContact OH-OE2 3.26Å; D27-E31 PolarHBondContact O-N 2.86Å; Q29-E31 VanDerWaalsContact C-N 3.32Å; Q29-E31 PolarHBondContact O-N 3.33Å; E31-L34 PolarHBondContact O-N 3.28Å; E31-R35 VanDerWaalsContact O-CB 3.3Å; E31-R35 WeakPolarHBondContact O-CB 3.3Å; E31-R35 PolarHBondContact O-N 3.06Å; E31-F50 HydrophobicContact CG-CB 4.07Å; E31-F50 HydrophobicContact CG-CD1 3.93Å; E31-F50 HydrophobicContact CG-CD2 4.1Å; E31-F50 HydrophobicContact CG-CE1 4.37Å; E31-F50 HydrophobicContact CG-CG 3.78Å; E31-F50 WeakPolarHBondContact OE1-CB 3.44Å; E31-Q121 VanDerWaalsContact CB-NE2 3.29Å; E31-Q121 PolarHBondContact OE2-NE2 2.88Å; E31-Q121 VanDerWaalsContact OE2-NE2 3.14Å
32	A	71.1	Confident	65.4	Low	53 Å²	53	67.6 Å²	67.6	44%	0.438	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-46.2	-178.6	0	0	0	0	0	111	P28 Q29 K30 L34 R35 T36	P28-A32 PolarHBondContact O-N 3.03Å; Q29-A32 PolarHBondContact O-N 3.31Å; K30-A32 VanDerWaalsContact C-N 3.31Å; K30-A32 PolarHBondContact O-N 3.45Å; A32-L34 VanDerWaalsContact C-N 3.3Å; A32-L34 PolarHBondContact O-N 3.5Å; A32-R35 PolarHBondContact O-N 2.94Å; A32-T36 PolarHBondContact O-N 3.25Å; A32-T36 PolarHBondContact O-OG1 3.2Å; A32-T36 VanDerWaalsContact O-OG1 3.11Å
33	E	72.5	Confident	67.8	Low	94 Å²	94	69 Å²	69	44%	0.439	39%	0.389	S	S	.	.	H	α-helix	trans	-58.6	-43.1	175.4	-71.5	177.4	177.1	0	0	111.9	Q29 K30 T36 W37 Q128	Q29-E33 PolarHBondContact O-N 3.28Å; Q29-E33 VanDerWaalsContact O-N 3.17Å; K30-E33 PolarHBondContact O-N 2.84Å; E33-T36 PolarHBondContact O-N 3.43Å; E33-W37 WeakPolarHBondContact O-CB 3.29Å; E33-W37 PolarHBondContact O-N 3.3Å; E33-Q128 PolarHBondContact O-NE2 2.94Å
34	L	69.6	Low	70	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-67.2	-42.6	179.6	-81.8	165.8	0	0	0	113.4	K30 E31 A32 W37 I38 F50 Q121 T124	K30-L34 VanDerWaalsContact O-CB 3.29Å; K30-L34 WeakPolarHBondContact O-CB 3.42Å; K30-L34 WeakPolarHBondContact O-CD1 3.25Å; K30-L34 VanDerWaalsContact O-CG 3.25Å; K30-L34 WeakPolarHBondContact O-CG 3.39Å; K30-L34 PolarHBondContact O-N 2.71Å; E31-L34 PolarHBondContact O-N 3.28Å; A32-L34 VanDerWaalsContact C-N 3.3Å; A32-L34 PolarHBondContact O-N 3.5Å; L34-W37 HydrophobicContact CD2-CE3 4.37Å; L34-W37 PolarHBondContact O-N 3.35Å; L34-I38 WeakPolarHBondContact O-CB 3.33Å; L34-I38 VanDerWaalsContact O-CG1 3.22Å; L34-I38 WeakPolarHBondContact O-CG1 3.24Å; L34-I38 PolarHBondContact O-N 3.18Å; L34-F50 HydrophobicContact CB-CZ 4.18Å; L34-Q121 HydrophobicContact CD1-CB 4.18Å; L34-Q121 HydrophobicContact CD1-CG 3.96Å; L34-T124 WeakPolarHBondContact CD1-OG1 3.26Å; L34-T124 HydrophobicContact CD2-CG2 3.69Å; L34-T124 WeakPolarHBondContact CD2-OG1 3.22Å
35	R	76.8	Confident	72.1	Confident	67 Å²	67	67.3 Å²	67.3	25%	0.253	38%	0.38	S	S	.	.	H	α-helix	trans	-57	-53.2	174	177.1	179.5	-178.5	146.7	7.9	109.9	E31 A32 W37 I38 E39 I46 G47 F50	E31-R35 VanDerWaalsContact O-CB 3.3Å; E31-R35 WeakPolarHBondContact O-CB 3.3Å; E31-R35 PolarHBondContact O-N 3.06Å; A32-R35 PolarHBondContact O-N 2.94Å; R35-W37 VanDerWaalsContact C-N 3.26Å; R35-W37 PolarHBondContact O-N 3.11Å; R35-I38 PolarHBondContact O-N 2.8Å; R35-E39 HydrophobicContact CG-CG 4.17Å; R35-E39 IonicContact CZ-OE1 2.73Å; R35-E39 IonicContact NE-OE1 3.87Å; R35-E39 PolarHBondContact NE-OE1 3.41Å; R35-E39 IonicContact NE-OE2 3.39Å; R35-E39 IonicContact NH2-OE1 2.68Å; R35-E39 VanDerWaalsContact O-CB 3.3Å; R35-E39 WeakPolarHBondContact O-CB 2.98Å; R35-E39 VanDerWaalsContact O-CG 3.23Å; R35-E39 WeakPolarHBondContact O-CG 3.44Å; R35-E39 PolarHBondContact O-N 3.07Å; R35-I46 HydrophobicContact CG-CD1 4.26Å; R35-G47 PolarHBondContact NH1-O 3.07Å; R35-G47 PolarHBondContact NH2-O 3.34Å; R35-F50 HydrophobicContact CB-CD2 4.13Å; R35-F50 HydrophobicContact CB-CE2 4.07Å
36	T	78.4	Confident	73.6	Confident	99 Å²	99	59.7 Å²	59.7	61%	0.607	35%	0.347	S	S	*	.	H	α-helix	trans	-59.5	-39.6	179.8	-57.5	0	0	0	0	111.8	A32 E33 G40	A32-T36 PolarHBondContact O-N 3.25Å; A32-T36 PolarHBondContact O-OG1 3.2Å; A32-T36 VanDerWaalsContact O-OG1 3.11Å; E33-T36 PolarHBondContact O-N 3.43Å; T36-G40 PolarHBondContact O-N 3.45Å
37	W	78.6	Confident	75.1	Confident	48 Å²	48	57.1 Å²	57.1	18%	0.182	34%	0.343	C	S	.	.	H	α-helix	trans	-67.8	-46.4	179.2	-178.2	72.1	0	0	0	112.8	E33 L34 R35 G40 L41 L63 L67 L127 Q128	E33-W37 WeakPolarHBondContact O-CB 3.29Å; E33-W37 PolarHBondContact O-N 3.3Å; L34-W37 HydrophobicContact CD2-CE3 4.37Å; L34-W37 PolarHBondContact O-N 3.35Å; R35-W37 VanDerWaalsContact C-N 3.26Å; R35-W37 PolarHBondContact O-N 3.11Å; W37-G40 PolarHBondContact O-N 2.95Å; W37-L41 HydrophobicContact CD2-CD1 4.06Å; W37-L41 HydrophobicContact CH2-CD1 3.75Å; W37-L41 HydrophobicContact CZ2-CD1 3.18Å; W37-L41 HydrophobicContact CZ3-CD1 4.49Å; W37-L41 PolarHBondContact O-N 3.12Å; W37-L63 HydrophobicContact CH2-CD1 4.09Å; W37-L63 HydrophobicContact CH2-CD2 4.2Å; W37-L63 HydrophobicContact CZ3-CD1 4.27Å; W37-L63 HydrophobicContact CZ3-CD2 3.92Å; W37-L67 HydrophobicContact CH2-CD1 4.41Å; W37-L127 HydrophobicContact CH2-CB 4.03Å; W37-L127 HydrophobicContact CH2-CD2 3.1Å; W37-L127 HydrophobicContact CH2-CG 3.32Å; W37-L127 HydrophobicContact CZ2-CB 4.22Å; W37-L127 HydrophobicContact CZ2-CD2 3.88Å; W37-L127 HydrophobicContact CZ2-CG 3.54Å; W37-L127 HydrophobicContact CZ3-CB 4.47Å; W37-L127 HydrophobicContact CZ3-CD2 3.73Å; W37-L127 HydrophobicContact CZ3-CG 4.16Å; W37-Q128 HydrophobicContact CG-CG 4.17Å
38	I	77.1	Confident	76	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-46.4	177.5	-65.1	169.8	0	0	0	110.6	L34 R35 G40 L41 T42 I46 F50 L54 I59 L63	L34-I38 WeakPolarHBondContact O-CB 3.33Å; L34-I38 VanDerWaalsContact O-CG1 3.22Å; L34-I38 WeakPolarHBondContact O-CG1 3.24Å; L34-I38 PolarHBondContact O-N 3.18Å; R35-I38 PolarHBondContact O-N 2.8Å; I38-G40 VanDerWaalsContact C-N 3.3Å; I38-G40 PolarHBondContact O-N 2.99Å; I38-L41 PolarHBondContact O-N 3.26Å; I38-T42 HydrophobicContact CG2-CG2 4.28Å; I38-T42 WeakPolarHBondContact O-CB 3.44Å; I38-T42 WeakPolarHBondContact O-CG2 3.38Å; I38-T42 PolarHBondContact O-N 3.41Å; I38-T42 PolarHBondContact O-OG1 3.32Å; I38-I46 HydrophobicContact CB-CD1 4.12Å; I38-I46 HydrophobicContact CD1-CD1 4.38Å; I38-I46 HydrophobicContact CG2-CD1 3.97Å; I38-F50 HydrophobicContact CD1-CE2 4.37Å; I38-F50 HydrophobicContact CD1-CZ 4.24Å; I38-L54 HydrophobicContact CD1-CD1 4.45Å; I38-I59 HydrophobicContact CG2-CG2 3.5Å; I38-L63 HydrophobicContact CG1-CD2 4.15Å
39	E	84.1	Confident	76.6	Confident	49 Å²	49	59.9 Å²	59.9	23%	0.229	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-38.7	178	-67.2	-171.4	152.6	0	0	110.6	R35 G43 L44 S45 I46	R35-E39 HydrophobicContact CG-CG 4.17Å; R35-E39 IonicContact CZ-OE1 2.73Å; R35-E39 IonicContact NE-OE1 3.87Å; R35-E39 PolarHBondContact NE-OE1 3.41Å; R35-E39 IonicContact NE-OE2 3.39Å; R35-E39 IonicContact NH2-OE1 2.68Å; R35-E39 VanDerWaalsContact O-CB 3.3Å; R35-E39 WeakPolarHBondContact O-CB 2.98Å; R35-E39 VanDerWaalsContact O-CG 3.23Å; R35-E39 WeakPolarHBondContact O-CG 3.44Å; R35-E39 PolarHBondContact O-N 3.07Å; E39-G43 VanDerWaalsContact O-CA 3.23Å; E39-G43 WeakPolarHBondContact O-CA 3.41Å; E39-G43 PolarHBondContact O-N 3.28Å; E39-L44 WeakPolarHBondContact CG-O 3.2Å; E39-S45 WeakPolarHBondContact OE1-CA 3.17Å; E39-S45 PolarHBondContact OE1-OG 2.93Å; E39-S45 VanDerWaalsContact OE1-OG 3.1Å; E39-I46 HydrophobicContact CG-CD1 4.27Å; E39-I46 HydrophobicContact CG-CG1 4.02Å; E39-I46 PolarHBondContact OE1-N 3.47Å
40	G	80.3	Confident	76.9	Confident	66 Å²	66	53.6 Å²	53.6	68%	0.68	33%	0.331	S	S	*	.	H	α-helix	trans	-65.7	-38	176.6	0	0	0	0	0	114.1	T36 W37 I38	T36-G40 PolarHBondContact O-N 3.45Å; W37-G40 PolarHBondContact O-N 2.95Å; I38-G40 VanDerWaalsContact C-N 3.3Å; I38-G40 PolarHBondContact O-N 2.99Å
41	L	79.8	Confident	77.2	Confident	65 Å²	65	53.1 Å²	53.1	34%	0.34	33%	0.329	S	S	.	.	H	α-helix	trans	-81.5	-39.1	179	-73.9	177.8	0	0	0	113.5	W37 I38 L63 L67	W37-L41 HydrophobicContact CD2-CD1 4.06Å; W37-L41 HydrophobicContact CH2-CD1 3.75Å; W37-L41 HydrophobicContact CZ2-CD1 3.18Å; W37-L41 HydrophobicContact CZ3-CD1 4.49Å; W37-L41 PolarHBondContact O-N 3.12Å; I38-L41 PolarHBondContact O-N 3.26Å; L41-L63 HydrophobicContact CB-CD1 3.7Å; L41-L63 HydrophobicContact CD1-CD1 3.6Å; L41-L63 HydrophobicContact CG-CD1 4.33Å; L41-L67 HydrophobicContact CD1-CD2 4.17Å
42	T	80.9	Confident	77.6	Confident	15 Å²	15	58 Å²	58	9%	0.092	35%	0.35	C	S	.	.	H	α-helix	trans	-88.7	-26.9	-175.9	60.5	0	0	0	0	113.1	I38 L44 I59 L63	I38-T42 HydrophobicContact CG2-CG2 4.28Å; I38-T42 WeakPolarHBondContact O-CB 3.44Å; I38-T42 WeakPolarHBondContact O-CG2 3.38Å; I38-T42 PolarHBondContact O-N 3.41Å; I38-T42 PolarHBondContact O-OG1 3.32Å; T42-L44 PolarHBondContact O-N 2.99Å; T42-L44 PolarHBondContact OG1-N 3.4Å; T42-I59 HydrophobicContact CG2-CG2 4.21Å; T42-L63 HydrophobicContact CG2-CB 3.59Å; T42-L63 HydrophobicContact CG2-CD1 4.02Å; T42-L63 HydrophobicContact CG2-CG 4.43Å
43	G	83.4	Confident	77.9	Confident	68 Å²	68	56.2 Å²	56.2	70%	0.701	34%	0.337	S	S	*	.			trans	68.7	10.7	-169.2	0	0	0	0	0	113.7	E39	E39-G43 VanDerWaalsContact O-CA 3.23Å; E39-G43 WeakPolarHBondContact O-CA 3.41Å; E39-G43 PolarHBondContact O-N 3.28Å
44	L	81.3	Confident	78.1	Confident	75 Å²	75	51.8 Å²	51.8	39%	0.393	32%	0.316	S	S	.	.			trans	-105	136.9	-179.4	-63.3	176.4	0	0	0	109.6	E39 T42 I59 T62	E39-L44 WeakPolarHBondContact CG-O 3.2Å; T42-L44 PolarHBondContact O-N 2.99Å; T42-L44 PolarHBondContact OG1-N 3.4Å; L44-I59 HydrophobicContact CB-CG1 4.32Å; L44-I59 HydrophobicContact CD1-CG1 4.17Å; L44-T62 HydrophobicContact CD1-CG2 4.24Å
45	S	82.7	Confident	78.5	Confident	89 Å²	89	55 Å²	55	62%	0.622	33%	0.33	S	S	*	.			trans	-84.3	134.9	175.1	-168.3	0	0	0	0	111.5	E39	E39-S45 WeakPolarHBondContact OE1-CA 3.17Å; E39-S45 PolarHBondContact OE1-OG 2.93Å; E39-S45 VanDerWaalsContact OE1-OG 3.1Å
46	I	77.8	Confident	78.6	Confident	9 Å²	9	55 Å²	55	5%	0.046	34%	0.335	C	S	.	.			trans	-80.2	-23.8	178.7	-56.1	177.6	0	0	0	110.8	R35 I38 E39 F50 G53 L54 I59	R35-I46 HydrophobicContact CG-CD1 4.26Å; I38-I46 HydrophobicContact CB-CD1 4.12Å; I38-I46 HydrophobicContact CD1-CD1 4.38Å; I38-I46 HydrophobicContact CG2-CD1 3.97Å; E39-I46 HydrophobicContact CG-CD1 4.27Å; E39-I46 HydrophobicContact CG-CG1 4.02Å; E39-I46 PolarHBondContact OE1-N 3.47Å; I46-F50 HydrophobicContact CD1-CD2 3.86Å; I46-F50 HydrophobicContact CD1-CE2 3.61Å; I46-F50 HydrophobicContact CG2-CD2 4.01Å; I46-F50 WeakPolarHBondContact CG2-O 3.08Å; I46-G53 VanDerWaalsContact O-CA 3.29Å; I46-G53 WeakPolarHBondContact O-CA 3.48Å; I46-L54 HydrophobicContact CD1-CD2 4.1Å; I46-L54 HydrophobicContact CG1-CD2 4.4Å; I46-L54 HydrophobicContact CG2-CD2 4.44Å; I46-L54 HydrophobicContact CG2-CG 4.2Å; I46-I59 HydrophobicContact CB-CD1 4.44Å; I46-I59 HydrophobicContact CG1-CD1 3.98Å
47	G	81.5	Confident	78.6	Confident	22 Å²	22	50.2 Å²	50.2	23%	0.227	31%	0.306	C	S	.	.			trans	87	-175.1	-177.6	0	0	0	0	0	113.7	R35 D49	R35-G47 PolarHBondContact NH1-O 3.07Å; R35-G47 PolarHBondContact NH2-O 3.34Å; G47-D49 VanDerWaalsContact C-N 3.34Å; G47-D49 PolarHBondContact O-N 3.03Å
48	P	76.5	Confident	79	Confident	124 Å²	124	49.3 Å²	49.3	81%	0.805	31%	0.305	S	S	*	.	S	Bend	trans	-67.1	-34.8	-173	26	-33.8	0	0	0	112.8
49	D	77.8	Confident	79.4	Confident	77 Å²	77	49.6 Å²	49.6	41%	0.412	31%	0.307	S	S	.	.			trans	-98.6	101.2	178.7	-71	-47.8	0	0	0	110.1	G47 Q51 K52 G53	G47-D49 VanDerWaalsContact C-N 3.34Å; G47-D49 PolarHBondContact O-N 3.03Å; D49-Q51 VanDerWaalsContact C-N 3.27Å; D49-Q51 PolarHBondContact O-N 3.23Å; D49-K52 HydrophobicContact CB-CB 3.85Å; D49-K52 HydrophobicContact CB-CD 3.91Å; D49-K52 HydrophobicContact CB-CG 3.88Å; D49-K52 PolarHBondContact O-N 2.98Å; D49-K52 VanDerWaalsContact O-N 3.12Å; D49-K52 WeakPolarHBondContact OD2-CD 3.41Å; D49-K52 WeakPolarHBondContact OD2-CE 3.48Å; D49-K52 IonicContact OD2-NZ 3.67Å; D49-K52 PolarHBondContact OD2-NZ 2.73Å; D49-G53 PolarHBondContact O-N 3.45Å
50	F	73	Confident	79.4	Confident	11 Å²	11	47.6 Å²	47.6	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-53	-43.7	-179.1	-175.7	-104.2	0	0	0	112.6	E31 L34 R35 I38 I46 L54 V120	E31-F50 HydrophobicContact CG-CB 4.07Å; E31-F50 HydrophobicContact CG-CD1 3.93Å; E31-F50 HydrophobicContact CG-CD2 4.1Å; E31-F50 HydrophobicContact CG-CE1 4.37Å; E31-F50 HydrophobicContact CG-CG 3.78Å; E31-F50 WeakPolarHBondContact OE1-CB 3.44Å; L34-F50 HydrophobicContact CB-CZ 4.18Å; R35-F50 HydrophobicContact CB-CD2 4.13Å; R35-F50 HydrophobicContact CB-CE2 4.07Å; I38-F50 HydrophobicContact CD1-CE2 4.37Å; I38-F50 HydrophobicContact CD1-CZ 4.24Å; I46-F50 HydrophobicContact CD1-CD2 3.86Å; I46-F50 HydrophobicContact CD1-CE2 3.61Å; I46-F50 HydrophobicContact CG2-CD2 4.01Å; I46-F50 WeakPolarHBondContact CG2-O 3.08Å; F50-L54 HydrophobicContact CD1-CD1 4.06Å; F50-L54 HydrophobicContact CD2-CD1 4.41Å; F50-L54 HydrophobicContact CE1-CD1 3.48Å; F50-L54 VanDerWaalsContact CE1-CD1 3.48Å; F50-L54 HydrophobicContact CE2-CD1 3.89Å; F50-L54 HydrophobicContact CG-CD1 4.49Å; F50-L54 HydrophobicContact CZ-CD1 3.4Å; F50-L54 WeakPolarHBondContact O-CG 3.29Å; F50-L54 PolarHBondContact O-N 3.43Å; F50-V120 HydrophobicContact CE1-CG1 4.42Å
51	Q	68.9	Low	79.7	Confident	43 Å²	43	44.5 Å²	44.5	20%	0.201	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-43.4	179.3	-162.1	-174.7	-98.1	0	0	112.9	D49 L54 K55 M117	D49-Q51 VanDerWaalsContact C-N 3.27Å; D49-Q51 PolarHBondContact O-N 3.23Å; Q51-L54 PolarHBondContact O-N 3.04Å; Q51-K55 WeakPolarHBondContact O-CB 3.48Å; Q51-K55 PolarHBondContact O-N 3Å; Q51-M117 HydrophobicContact CB-SD 3.57Å; Q51-M117 VanDerWaalsContact CB-SD 3.57Å; Q51-M117 VanDerWaalsContact CD-SD 3.57Å; Q51-M117 HydrophobicContact CG-SD 3.81Å; Q51-M117 PolarHBondContact OE1-SD 3.44Å
52	K	77.1	Confident	80	Confident	135 Å²	135	42.9 Å²	42.9	59%	0.587	26%	0.259	S	S	*	.	H	α-helix	trans	-69.3	-38.4	-177.8	-67	-176	-168.4	152.3	0	110.8	D49 L54 K55	D49-K52 HydrophobicContact CB-CB 3.85Å; D49-K52 HydrophobicContact CB-CD 3.91Å; D49-K52 HydrophobicContact CB-CG 3.88Å; D49-K52 PolarHBondContact O-N 2.98Å; D49-K52 VanDerWaalsContact O-N 3.12Å; D49-K52 WeakPolarHBondContact OD2-CD 3.41Å; D49-K52 WeakPolarHBondContact OD2-CE 3.48Å; D49-K52 IonicContact OD2-NZ 3.67Å; D49-K52 PolarHBondContact OD2-NZ 2.73Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 3.39Å; K52-K55 WeakPolarHBondContact O-CB 3.31Å; K52-K55 PolarHBondContact O-N 3.22Å
53	G	77.6	Confident	80.1	Confident	16 Å²	16	42.5 Å²	42.5	17%	0.165	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-33	177.6	0	0	0	0	0	113.7	I46 D49	I46-G53 VanDerWaalsContact O-CA 3.29Å; I46-G53 WeakPolarHBondContact O-CA 3.48Å; D49-G53 PolarHBondContact O-N 3.45Å
54	L	77.3	Confident	80.1	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-87.7	-16.4	177	-63.5	-178.1	0	0	0	114	I38 I46 F50 Q51 K52 D56 G57 I59 L60 L111	I38-L54 HydrophobicContact CD1-CD1 4.45Å; I46-L54 HydrophobicContact CD1-CD2 4.1Å; I46-L54 HydrophobicContact CG1-CD2 4.4Å; I46-L54 HydrophobicContact CG2-CD2 4.44Å; I46-L54 HydrophobicContact CG2-CG 4.2Å; F50-L54 HydrophobicContact CD1-CD1 4.06Å; F50-L54 HydrophobicContact CD2-CD1 4.41Å; F50-L54 HydrophobicContact CE1-CD1 3.48Å; F50-L54 VanDerWaalsContact CE1-CD1 3.48Å; F50-L54 HydrophobicContact CE2-CD1 3.89Å; F50-L54 HydrophobicContact CG-CD1 4.49Å; F50-L54 HydrophobicContact CZ-CD1 3.4Å; F50-L54 WeakPolarHBondContact O-CG 3.29Å; F50-L54 PolarHBondContact O-N 3.43Å; Q51-L54 PolarHBondContact O-N 3.04Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 3.39Å; L54-D56 PolarHBondContact O-N 3.31Å; L54-G57 PolarHBondContact O-N 3.43Å; L54-I59 HydrophobicContact CD2-CB 4.13Å; L54-I59 HydrophobicContact CD2-CG2 4.09Å; L54-L60 HydrophobicContact CB-CD1 4.49Å; L54-L60 HydrophobicContact CD2-CD2 4.04Å; L54-L60 HydrophobicContact CD2-CG 4.13Å; L54-L111 HydrophobicContact CB-CD2 4.35Å; L54-L111 WeakPolarHBondContact O-CD2 3.5Å
55	K	77.8	Confident	80.4	Confident	71 Å²	71	37.9 Å²	37.9	31%	0.309	22%	0.215	S	C	.	.	H	α-helix	trans	-57.4	-36.2	-176.8	-174	-179.8	177.5	-178	0	113	Q51 K52 G57 F112	Q51-K55 WeakPolarHBondContact O-CB 3.48Å; Q51-K55 PolarHBondContact O-N 3Å; K52-K55 WeakPolarHBondContact O-CB 3.31Å; K52-K55 PolarHBondContact O-N 3.22Å; K55-G57 PolarHBondContact O-N 3.43Å; K55-F112 WeakPolarHBondContact CE-O 3.35Å; K55-F112 HydrophobicContact CG-CD2 4.45Å
56	D	77.8	Confident	80.5	Confident	67 Å²	67	40 Å²	40	36%	0.358	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.7	-179	-66.3	-23.4	0	0	0	112.9	L54 T58 Q84 N87	L54-D56 PolarHBondContact O-N 3.31Å; D56-T58 HydrophobicContact CB-CG2 4.22Å; D56-T58 PolarHBondContact O-N 3.22Å; D56-Q84 PolarHBondContact OD1-NE2 3.22Å; D56-N87 PolarHBondContact O-ND2 3.38Å
57	G	79.5	Confident	80.6	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	69.8	-5.2	-178.8	0	0	0	0	0	114.5	L54 K55 L60 C61	L54-G57 PolarHBondContact O-N 3.43Å; K55-G57 PolarHBondContact O-N 3.43Å; G57-L60 PolarHBondContact O-N 3.39Å; G57-C61 PolarHBondContact O-N 3.14Å; G57-C61 PolarHBondContact O-SG 2.51Å
58	T	87	Confident	80.5	Confident	28 Å²	28	44.2 Å²	44.2	17%	0.172	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-45.1	-177.1	53.8	0	0	0	0	112.3	D56 L60 T62 I75 N76 R77	D56-T58 HydrophobicContact CB-CG2 4.22Å; D56-T58 PolarHBondContact O-N 3.22Å; T58-L60 VanDerWaalsContact C-N 3.35Å; T58-T62 WeakPolarHBondContact O-CB 3.47Å; T58-T62 PolarHBondContact O-N 3.23Å; T58-T62 PolarHBondContact O-OG1 3.31Å; T58-I75 HydrophobicContact CG2-CG2 4.07Å; T58-N76 WeakPolarHBondContact CG2-O 3.36Å; T58-R77 HydrophobicContact CG2-CG 4.35Å
59	I	86.3	Confident	80.9	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.051	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-43.4	177.5	-59.7	179.7	0	0	0	110	I38 T42 L44 I46 L54 T62 L63	I38-I59 HydrophobicContact CG2-CG2 3.5Å; T42-I59 HydrophobicContact CG2-CG2 4.21Å; L44-I59 HydrophobicContact CB-CG1 4.32Å; L44-I59 HydrophobicContact CD1-CG1 4.17Å; I46-I59 HydrophobicContact CB-CD1 4.44Å; I46-I59 HydrophobicContact CG1-CD1 3.98Å; L54-I59 HydrophobicContact CD2-CB 4.13Å; L54-I59 HydrophobicContact CD2-CG2 4.09Å; I59-T62 PolarHBondContact O-N 3.06Å; I59-L63 WeakPolarHBondContact O-CB 3.38Å; I59-L63 PolarHBondContact O-N 2.99Å
60	L	83	Confident	81.3	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-45.5	179.9	-65.7	173.6	0	0	0	112.2	L54 G57 T58 T62 L63 M64 L88 F91 F106 L111	L54-L60 HydrophobicContact CB-CD1 4.49Å; L54-L60 HydrophobicContact CD2-CD2 4.04Å; L54-L60 HydrophobicContact CD2-CG 4.13Å; G57-L60 PolarHBondContact O-N 3.39Å; T58-L60 VanDerWaalsContact C-N 3.35Å; L60-T62 VanDerWaalsContact C-N 3.28Å; L60-T62 PolarHBondContact O-N 3.12Å; L60-L63 WeakPolarHBondContact O-CB 3.48Å; L60-L63 PolarHBondContact O-N 3.34Å; L60-M64 PolarHBondContact O-N 3.33Å; L60-L88 HydrophobicContact CD1-CD2 3.74Å; L60-F91 HydrophobicContact CB-CB 4.43Å; L60-F91 HydrophobicContact CB-CD1 4.23Å; L60-F91 HydrophobicContact CB-CD2 3.73Å; L60-F91 HydrophobicContact CB-CE1 4.43Å; L60-F91 HydrophobicContact CB-CE2 3.93Å; L60-F91 HydrophobicContact CB-CG 3.86Å; L60-F91 HydrophobicContact CB-CZ 4.26Å; L60-F91 HydrophobicContact CD1-CD1 4.38Å; L60-F91 HydrophobicContact CD1-CE1 4.46Å; L60-F91 HydrophobicContact CD2-CE1 4.39Å; L60-F91 HydrophobicContact CD2-CE2 4.42Å; L60-F91 HydrophobicContact CD2-CZ 4.09Å; L60-F91 WeakPolarHBondContact O-CD2 2.94Å; L60-F91 WeakPolarHBondContact O-CE2 3.27Å; L60-F106 HydrophobicContact CD1-CZ 3.97Å; L60-L111 HydrophobicContact CD1-CD2 4.11Å
61	C	86.5	Confident	81.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-38	174.4	-68.6	0	0	0	0	112.2	G57 M64 N65 V72 I75 N87	G57-C61 PolarHBondContact O-N 3.14Å; G57-C61 PolarHBondContact O-SG 2.51Å; C61-M64 PolarHBondContact O-N 3.25Å; C61-N65 PolarHBondContact O-N 2.9Å; C61-N65 VanDerWaalsContact O-N 3.07Å; C61-V72 HydrophobicContact CB-CB 4.24Å; C61-V72 HydrophobicContact CB-CG1 3.92Å; C61-V72 HydrophobicContact CB-CG2 4.18Å; C61-I75 HydrophobicContact CB-CB 4.49Å; C61-I75 HydrophobicContact CB-CD1 3.64Å; C61-I75 HydrophobicContact CB-CG1 3.69Å; C61-I75 HydrophobicContact CB-CG2 4.14Å; C61-N87 PolarHBondContact SG-O 3.48Å
62	T	85.7	Confident	82.6	Confident	32 Å²	32	41.8 Å²	41.8	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-42.5	177.6	-53.1	0	0	0	0	111	L44 T58 I59 L60 M64 N65 K66	L44-T62 HydrophobicContact CD1-CG2 4.24Å; T58-T62 WeakPolarHBondContact O-CB 3.47Å; T58-T62 PolarHBondContact O-N 3.23Å; T58-T62 PolarHBondContact O-OG1 3.31Å; I59-T62 PolarHBondContact O-N 3.06Å; L60-T62 VanDerWaalsContact C-N 3.28Å; L60-T62 PolarHBondContact O-N 3.12Å; T62-M64 VanDerWaalsContact C-N 3.31Å; T62-M64 PolarHBondContact O-N 2.73Å; T62-N65 PolarHBondContact O-N 3.04Å; T62-K66 WeakPolarHBondContact O-CG 3.46Å; T62-K66 PolarHBondContact O-N 3.32Å
63	L	83.2	Confident	82.8	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-56.1	-48	174	176.7	69.1	0	0	0	110.8	W37 I38 L41 T42 I59 L60 N65 K66 L67	W37-L63 HydrophobicContact CH2-CD1 4.09Å; W37-L63 HydrophobicContact CH2-CD2 4.2Å; W37-L63 HydrophobicContact CZ3-CD1 4.27Å; W37-L63 HydrophobicContact CZ3-CD2 3.92Å; I38-L63 HydrophobicContact CG1-CD2 4.15Å; L41-L63 HydrophobicContact CB-CD1 3.7Å; L41-L63 HydrophobicContact CD1-CD1 3.6Å; L41-L63 HydrophobicContact CG-CD1 4.33Å; T42-L63 HydrophobicContact CG2-CB 3.59Å; T42-L63 HydrophobicContact CG2-CD1 4.02Å; T42-L63 HydrophobicContact CG2-CG 4.43Å; I59-L63 WeakPolarHBondContact O-CB 3.38Å; I59-L63 PolarHBondContact O-N 2.99Å; L60-L63 WeakPolarHBondContact O-CB 3.48Å; L60-L63 PolarHBondContact O-N 3.34Å; L63-N65 VanDerWaalsContact C-N 3.33Å; L63-N65 PolarHBondContact O-N 3.41Å; L63-K66 WeakPolarHBondContact O-CB 3.35Å; L63-K66 PolarHBondContact O-N 3.02Å; L63-L67 HydrophobicContact CG-CD1 4.34Å; L63-L67 WeakPolarHBondContact O-CG 3.31Å; L63-L67 PolarHBondContact O-N 2.91Å
64	M	83.6	Confident	83.2	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-40.3	-179.3	-166	61.8	-140.6	0	0	112.3	L60 C61 T62 K66 L67 Q68 V72 F91 A94 M95 Y98	L60-M64 PolarHBondContact O-N 3.33Å; C61-M64 PolarHBondContact O-N 3.25Å; T62-M64 VanDerWaalsContact C-N 3.31Å; T62-M64 PolarHBondContact O-N 2.73Å; M64-K66 PolarHBondContact O-N 3.14Å; M64-L67 PolarHBondContact O-N 3.35Å; M64-Q68 HydrophobicContact CE-CB 4.11Å; M64-Q68 PolarHBondContact O-N 3.17Å; M64-V72 HydrophobicContact CB-CG2 4.32Å; M64-V72 HydrophobicContact CG-CG2 4.45Å; M64-F91 HydrophobicContact CB-CD2 3.96Å; M64-F91 HydrophobicContact CB-CE2 4.16Å; M64-A94 HydrophobicContact CE-CB 4.46Å; M64-A94 HydrophobicContact CG-CB 3.49Å; M64-A94 VanDerWaalsContact CG-CB 3.49Å; M64-A94 HydrophobicContact SD-CB 4.33Å; M64-M95 HydrophobicContact SD-CG 4.11Å; M64-Y98 HydrophobicContact CE-CD2 3.5Å; M64-Y98 VanDerWaalsContact CE-CD2 3.5Å; M64-Y98 HydrophobicContact CE-CE2 4.34Å; M64-Y98 HydrophobicContact CE-CG 3.69Å
65	N	87.5	Confident	83.7	Confident	44 Å²	44	49.3 Å²	49.3	24%	0.235	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-23.1	174	-80.9	-21.7	0	0	0	113.8	C61 T62 L63 Q68 P69 S71 V72	C61-N65 PolarHBondContact O-N 2.9Å; C61-N65 VanDerWaalsContact O-N 3.07Å; T62-N65 PolarHBondContact O-N 3.04Å; L63-N65 VanDerWaalsContact C-N 3.33Å; L63-N65 PolarHBondContact O-N 3.41Å; N65-Q68 WeakPolarHBondContact CA-O 2.98Å; N65-Q68 CarbonylContact O-C 3.55Å; N65-P69 WeakPolarHBondContact O-CA 3.27Å; N65-S71 PolarHBondContact OD1-N 2.69Å; N65-V72 PolarHBondContact ND2-O 3.45Å; N65-V72 PolarHBondContact OD1-N 2.99Å; N65-V72 PolarHBondContact OD1-O 2.98Å
66	K	84.9	Confident	84.2	Confident	134 Å²	134	46.4 Å²	46.4	58%	0.583	26%	0.264	S	S	*	.	H	α-helix	trans	-77.5	-37.3	172.4	-69.9	-71.5	-173.2	175.8	0	112	T62 L63 M64	T62-K66 WeakPolarHBondContact O-CG 3.46Å; T62-K66 PolarHBondContact O-N 3.32Å; L63-K66 WeakPolarHBondContact O-CB 3.35Å; L63-K66 PolarHBondContact O-N 3.02Å; M64-K66 PolarHBondContact O-N 3.14Å
67	L	79.1	Confident	84.5	Confident	50 Å²	50	53.6 Å²	53.6	26%	0.262	29%	0.287	S	S	.	.	H	α-helix	trans	-73.2	-43.6	177.5	-65.6	173.5	0	0	0	111.8	W37 L41 L63 M64 Y98 L127	W37-L67 HydrophobicContact CH2-CD1 4.41Å; L41-L67 HydrophobicContact CD1-CD2 4.17Å; L63-L67 HydrophobicContact CG-CD1 4.34Å; L63-L67 WeakPolarHBondContact O-CG 3.31Å; L63-L67 PolarHBondContact O-N 2.91Å; M64-L67 PolarHBondContact O-N 3.35Å; L67-Y98 HydrophobicContact CB-CE2 4.41Å; L67-L127 HydrophobicContact CD1-CD2 4.04Å
68	Q	79.8	Confident	84.6	Confident	69 Å²	69	56 Å²	56	32%	0.322	30%	0.303	S	S	.	.	S	Bend	trans	-137.7	108.6	176.1	176.3	178	-37.2	0	0	109.2	M64 N65 G70 S71 Y98	M64-Q68 HydrophobicContact CE-CB 4.11Å; M64-Q68 PolarHBondContact O-N 3.17Å; N65-Q68 WeakPolarHBondContact CA-O 2.98Å; N65-Q68 CarbonylContact O-C 3.55Å; Q68-G70 PolarHBondContact O-N 3.48Å; Q68-S71 WeakPolarHBondContact CB-OG 3.37Å; Q68-S71 VanDerWaalsContact CG-OG 3.24Å; Q68-S71 WeakPolarHBondContact CG-OG 3.19Å; Q68-S71 VanDerWaalsContact O-CB 3.29Å; Q68-S71 WeakPolarHBondContact O-CB 3.05Å; Q68-S71 PolarHBondContact O-N 3.33Å; Q68-S71 PolarHBondContact O-OG 2.99Å; Q68-S71 VanDerWaalsContact O-OG 3.11Å; Q68-Y98 HydrophobicContact CB-CD2 4.07Å; Q68-Y98 HydrophobicContact CB-CE2 4.14Å; Q68-Y98 VanDerWaalsContact OE1-CD2 3.3Å
69	P	86.4	Confident	84.2	Confident	113 Å²	113	62.9 Å²	62.9	73%	0.734	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	132.1	177.9	-25	34.3	0	0	0	111.5	N65	N65-P69 WeakPolarHBondContact O-CA 3.27Å
70	G	84.8	Confident	83.8	Confident	66 Å²	66	67.2 Å²	67.2	68%	0.68	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	5	179.2	0	0	0	0	0	115.1	Q68	Q68-G70 PolarHBondContact O-N 3.48Å
71	S	83.1	Confident	83.7	Confident	22 Å²	22	71.7 Å²	71.7	15%	0.154	38%	0.379	C	S	.	.	S	Bend	trans	-62.8	-39.4	176.7	-82.7	0	0	0	0	114.4	N65 Q68	N65-S71 PolarHBondContact OD1-N 2.69Å; Q68-S71 WeakPolarHBondContact CB-OG 3.37Å; Q68-S71 VanDerWaalsContact CG-OG 3.24Å; Q68-S71 WeakPolarHBondContact CG-OG 3.19Å; Q68-S71 VanDerWaalsContact O-CB 3.29Å; Q68-S71 WeakPolarHBondContact O-CB 3.05Å; Q68-S71 PolarHBondContact O-N 3.33Å; Q68-S71 PolarHBondContact O-OG 2.99Å; Q68-S71 VanDerWaalsContact O-OG 3.11Å
72	V	86.6	Confident	83.5	Confident	4 Å²	4	78.5 Å²	78.5	2%	0.024	41%	0.405	C	S	.	.	S	Bend	trans	-118.9	107.4	175.8	-179.1	0	0	0	0	108.9	C61 M64 N65 K74 I75 N90 A94	C61-V72 HydrophobicContact CB-CB 4.24Å; C61-V72 HydrophobicContact CB-CG1 3.92Å; C61-V72 HydrophobicContact CB-CG2 4.18Å; M64-V72 HydrophobicContact CB-CG2 4.32Å; M64-V72 HydrophobicContact CG-CG2 4.45Å; N65-V72 PolarHBondContact ND2-O 3.45Å; N65-V72 PolarHBondContact OD1-N 2.99Å; N65-V72 PolarHBondContact OD1-O 2.98Å; V72-K74 WeakPolarHBondContact CG1-O 3.48Å; V72-K74 PolarHBondContact O-N 2.9Å; V72-I75 HydrophobicContact CG1-CG1 4.11Å; V72-N90 HydrophobicContact CG1-CB 4.09Å; V72-A94 HydrophobicContact CG2-CB 3.99Å
73	P	82	Confident	83.4	Confident	124 Å²	124	78.3 Å²	78.3	81%	0.805	40%	0.402	S	S	*	.	S	Bend	trans	-71.5	-31	-172.2	25.2	-33	0	0	0	113.3
74	K	85.8	Confident	83.4	Confident	141 Å²	141	78.8 Å²	78.8	61%	0.613	40%	0.404	S	S	*	.			trans	-141.4	131.5	-179.4	-172.7	-178.9	176.8	-169.6	0	110.8	V72 N76	V72-K74 WeakPolarHBondContact CG1-O 3.48Å; V72-K74 PolarHBondContact O-N 2.9Å; K74-N76 WeakPolarHBondContact CE-OD1 3.44Å
75	I	88.4	Confident	83.2	Confident	44 Å²	44	81 Å²	81	23%	0.226	42%	0.416	C	S	.	.			trans	-112.1	117	175.7	-52.1	-179.1	0	0	0	108	T58 C61 V72	T58-I75 HydrophobicContact CG2-CG2 4.07Å; C61-I75 HydrophobicContact CB-CB 4.49Å; C61-I75 HydrophobicContact CB-CD1 3.64Å; C61-I75 HydrophobicContact CB-CG1 3.69Å; C61-I75 HydrophobicContact CB-CG2 4.14Å; V72-I75 HydrophobicContact CG1-CG1 4.11Å
76	N	87.2	Confident	83.1	Confident	10 Å²	10	82.7 Å²	82.7	5%	0.053	42%	0.422	C	S	.	.			trans	-82.9	129.1	177.5	-61.5	-49.7	0	0	0	109.7	T58 K74 H83 E86 N87	T58-N76 WeakPolarHBondContact CG2-O 3.36Å; K74-N76 WeakPolarHBondContact CE-OD1 3.44Å; N76-H83 HydrophobicContact CB-CB 3.8Å; N76-E86 PolarHBondContact ND2-OE2 3.35Å; N76-N87 PolarHBondContact N-OD1 2.68Å; N76-N87 PolarHBondContact O-ND2 3.45Å
77	R	84.1	Confident	83.2	Confident	219 Å²	219	76.3 Å²	76.3	83%	0.826	40%	0.395	S	S	*	.			trans	-107.6	9.2	179.5	-61.7	-176.3	-179.1	-174.1	-0.8	113.7	T58	T58-R77 HydrophobicContact CG2-CG 4.35Å
78	S	82.7	Confident	83.4	Confident	49 Å²	49	74 Å²	74	34%	0.343	38%	0.382	S	S	.	.			trans	-76.2	146	-179.4	174.8	0	0	0	0	110.5	Q80 H83	S78-Q80 PolarHBondContact O-N 3.16Å; S78-Q80 VanDerWaalsContact O-N 3.13Å; S78-Q80 PolarHBondContact OG-N 3.25Å; S78-H83 WeakPolarHBondContact CB-ND1 3.4Å; S78-H83 PolarHBondContact OG-ND1 2.79Å
79	M	76.6	Confident	83.6	Confident	173 Å²	173	72.8 Å²	72.8	85%	0.852	38%	0.382	S	S	*	.	S	Bend	trans	-73	3.1	178.7	-61.6	-176.5	72.8	0	0	113.6
80	Q	79.8	Confident	83.6	Confident	102 Å²	102	68.9 Å²	68.9	48%	0.477	35%	0.354	S	S	.	.			trans	-75.9	132.5	-179.9	-61.8	-165.4	-52.5	0	0	111.3	S78 W82 H83 Q84	S78-Q80 PolarHBondContact O-N 3.16Å; S78-Q80 VanDerWaalsContact O-N 3.13Å; S78-Q80 PolarHBondContact OG-N 3.25Å; Q80-W82 VanDerWaalsContact C-N 3.25Å; Q80-W82 PolarHBondContact O-N 3.47Å; Q80-W82 VanDerWaalsContact O-N 3.13Å; Q80-H83 WeakPolarHBondContact O-CB 3.44Å; Q80-H83 PolarHBondContact O-N 3.25Å; Q80-Q84 PolarHBondContact O-N 3.42Å
81	N	79.8	Confident	83.5	Confident	101 Å²	101	66.1 Å²	66.1	54%	0.54	32%	0.324	S	S	.	.	H	α-helix	trans	-49	-42.3	-178.8	-70	10.7	0	0	0	114	H83 Q84 L85 F112	N81-H83 VanDerWaalsContact C-N 3.34Å; N81-H83 PolarHBondContact O-N 3.34Å; N81-Q84 PolarHBondContact O-N 3.29Å; N81-L85 PolarHBondContact O-N 3Å; N81-F112 HydrophobicContact CB-CE1 4.48Å; N81-F112 HydrophobicContact CB-CE2 4.18Å; N81-F112 HydrophobicContact CB-CZ 3.55Å
82	W	82	Confident	83.4	Confident	144 Å²	144	66.7 Å²	66.7	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-68.4	-32.5	-178.8	68.6	-93.4	0	0	0	112.7	Q80 L85 E86	Q80-W82 VanDerWaalsContact C-N 3.25Å; Q80-W82 PolarHBondContact O-N 3.47Å; Q80-W82 VanDerWaalsContact O-N 3.13Å; W82-L85 PolarHBondContact O-N 3.4Å; W82-E86 WeakPolarHBondContact O-CB 3.39Å; W82-E86 PolarHBondContact O-N 2.74Å
83	H	84.8	Confident	83.3	Confident	27 Å²	27	72.6 Å²	72.6	13%	0.125	35%	0.35	C	S	.	.	H	α-helix	trans	-68.8	-37.6	174.2	-74.5	132.3	0	0	0	111.8	N76 S78 Q80 N81 E86 N87	N76-H83 HydrophobicContact CB-CB 3.8Å; S78-H83 WeakPolarHBondContact CB-ND1 3.4Å; S78-H83 PolarHBondContact OG-ND1 2.79Å; Q80-H83 WeakPolarHBondContact O-CB 3.44Å; Q80-H83 PolarHBondContact O-N 3.25Å; N81-H83 VanDerWaalsContact C-N 3.34Å; N81-H83 PolarHBondContact O-N 3.34Å; H83-E86 PolarHBondContact O-N 2.88Å; H83-N87 VanDerWaalsContact O-CG 3.28Å; H83-N87 PolarHBondContact O-N 3.36Å; H83-N87 PolarHBondContact O-ND2 3.24Å
84	Q	82.5	Confident	83.2	Confident	16 Å²	16	66.9 Å²	66.9	8%	0.075	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-44.8	175.7	-62	173.9	-19.9	0	0	110.5	D56 Q80 N81 E86 N87 L88 F112	D56-Q84 PolarHBondContact OD1-NE2 3.22Å; Q80-Q84 PolarHBondContact O-N 3.42Å; N81-Q84 PolarHBondContact O-N 3.29Å; Q84-E86 PolarHBondContact O-N 3.11Å; Q84-N87 PolarHBondContact O-N 3.02Å; Q84-L88 WeakPolarHBondContact O-CG 3.23Å; Q84-L88 PolarHBondContact O-N 3.13Å; Q84-L88 VanDerWaalsContact O-N 3.11Å; Q84-F112 HydrophobicContact CB-CD2 4.31Å; Q84-F112 HydrophobicContact CB-CE2 4.02Å; Q84-F112 VanDerWaalsContact OE1-CE2 3.26Å
85	L	80.2	Confident	82.8	Confident	50 Å²	50	61 Å²	61	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-40.9	173.9	-74.5	170.9	0	0	0	112.6	N81 W82 L88 S89 A108 F112	N81-L85 PolarHBondContact O-N 3Å; W82-L85 PolarHBondContact O-N 3.4Å; L85-L88 PolarHBondContact O-N 3.49Å; L85-S89 PolarHBondContact O-N 3.11Å; L85-A108 HydrophobicContact CD2-CB 4.46Å; L85-F112 HydrophobicContact CD1-CD1 4.49Å; L85-F112 HydrophobicContact CD1-CE1 4.5Å; L85-F112 HydrophobicContact CD2-CB 3.68Å; L85-F112 HydrophobicContact CD2-CD1 3.98Å; L85-F112 HydrophobicContact CD2-CD2 3.96Å; L85-F112 HydrophobicContact CD2-CG 3.59Å; L85-F112 HydrophobicContact CG-CD1 4.3Å; L85-F112 HydrophobicContact CG-CD2 4.01Å; L85-F112 HydrophobicContact CG-CE2 4.26Å; L85-F112 HydrophobicContact CG-CG 4.05Å
86	E	85.4	Confident	82.3	Confident	78 Å²	78	62.2 Å²	62.2	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-42.7	177.7	-168.4	-178.2	-174.2	0	0	111.6	N76 W82 H83 Q84 L88 S89 N90	N76-E86 PolarHBondContact ND2-OE2 3.35Å; W82-E86 WeakPolarHBondContact O-CB 3.39Å; W82-E86 PolarHBondContact O-N 2.74Å; H83-E86 PolarHBondContact O-N 2.88Å; Q84-E86 PolarHBondContact O-N 3.11Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 2.9Å; E86-S89 PolarHBondContact O-N 3.15Å; E86-N90 WeakPolarHBondContact O-CB 3.41Å; E86-N90 VanDerWaalsContact O-CG 3.24Å; E86-N90 PolarHBondContact O-N 3.07Å; E86-N90 PolarHBondContact O-ND2 3.02Å
87	N	86.5	Confident	81.9	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-58.5	-46.9	174	-69.7	-25.6	0	0	0	111.4	D56 C61 N76 H83 Q84 S89 N90 F91	D56-N87 PolarHBondContact O-ND2 3.38Å; C61-N87 PolarHBondContact SG-O 3.48Å; N76-N87 PolarHBondContact N-OD1 2.68Å; N76-N87 PolarHBondContact O-ND2 3.45Å; H83-N87 VanDerWaalsContact O-CG 3.28Å; H83-N87 PolarHBondContact O-N 3.36Å; H83-N87 PolarHBondContact O-ND2 3.24Å; Q84-N87 PolarHBondContact O-N 3.02Å; N87-S89 PolarHBondContact O-N 3.29Å; N87-N90 PolarHBondContact O-N 3.25Å; N87-F91 WeakPolarHBondContact O-CB 3.43Å; N87-F91 PolarHBondContact O-N 2.7Å
88	L	82.1	Confident	81.4	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-42.2	178.7	-69.6	164.6	0	0	0	111.8	L60 Q84 L85 E86 N90 F91 I92 F106 A108 L111 F112	L60-L88 HydrophobicContact CD1-CD2 3.74Å; Q84-L88 WeakPolarHBondContact O-CG 3.23Å; Q84-L88 PolarHBondContact O-N 3.13Å; Q84-L88 VanDerWaalsContact O-N 3.11Å; L85-L88 PolarHBondContact O-N 3.49Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 2.9Å; L88-N90 PolarHBondContact O-N 3.19Å; L88-F91 PolarHBondContact O-N 2.93Å; L88-I92 WeakPolarHBondContact O-CD1 3.36Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.23Å; L88-I92 PolarHBondContact O-N 2.86Å; L88-F106 HydrophobicContact CD2-CE2 4.22Å; L88-A108 HydrophobicContact CB-CB 3.6Å; L88-L111 HydrophobicContact CD1-CD2 4.24Å; L88-L111 HydrophobicContact CD2-CD2 3.37Å; L88-L111 HydrophobicContact CG-CD2 4.46Å; L88-F112 HydrophobicContact CD1-CB 4.38Å
89	S	83.9	Confident	80.6	Confident	44 Å²	44	60.7 Å²	60.7	31%	0.308	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-43.4	174.9	-173.6	0	0	0	0	112	L85 E86 N87 I92 K93	L85-S89 PolarHBondContact O-N 3.11Å; E86-S89 PolarHBondContact O-N 3.15Å; N87-S89 PolarHBondContact O-N 3.29Å; S89-I92 PolarHBondContact O-N 3.46Å; S89-K93 WeakPolarHBondContact O-CG 3.42Å; S89-K93 PolarHBondContact O-N 3.14Å
90	N	86.5	Confident	80.1	Confident	31 Å²	31	53 Å²	53	17%	0.166	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-39.4	178.2	-71.2	-22.1	0	0	0	111.9	V72 E86 N87 L88 K93 A94	V72-N90 HydrophobicContact CG1-CB 4.09Å; E86-N90 WeakPolarHBondContact O-CB 3.41Å; E86-N90 VanDerWaalsContact O-CG 3.24Å; E86-N90 PolarHBondContact O-N 3.07Å; E86-N90 PolarHBondContact O-ND2 3.02Å; N87-N90 PolarHBondContact O-N 3.25Å; L88-N90 PolarHBondContact O-N 3.19Å; N90-K93 PolarHBondContact O-N 3.3Å; N90-A94 WeakPolarHBondContact O-CB 3.37Å; N90-A94 PolarHBondContact O-N 3.39Å
91	F	83.6	Confident	78.8	Confident	9 Å²	9	53 Å²	53	4%	0.039	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-48.2	172.6	173.5	-103.8	0	0	0	112.1	L60 M64 N87 L88 K93 A94 M95 F106	L60-F91 HydrophobicContact CB-CB 4.43Å; L60-F91 HydrophobicContact CB-CD1 4.23Å; L60-F91 HydrophobicContact CB-CD2 3.73Å; L60-F91 HydrophobicContact CB-CE1 4.43Å; L60-F91 HydrophobicContact CB-CE2 3.93Å; L60-F91 HydrophobicContact CB-CG 3.86Å; L60-F91 HydrophobicContact CB-CZ 4.26Å; L60-F91 HydrophobicContact CD1-CD1 4.38Å; L60-F91 HydrophobicContact CD1-CE1 4.46Å; L60-F91 HydrophobicContact CD2-CE1 4.39Å; L60-F91 HydrophobicContact CD2-CE2 4.42Å; L60-F91 HydrophobicContact CD2-CZ 4.09Å; L60-F91 WeakPolarHBondContact O-CD2 2.94Å; L60-F91 WeakPolarHBondContact O-CE2 3.27Å; M64-F91 HydrophobicContact CB-CD2 3.96Å; M64-F91 HydrophobicContact CB-CE2 4.16Å; N87-F91 WeakPolarHBondContact O-CB 3.43Å; N87-F91 PolarHBondContact O-N 2.7Å; L88-F91 PolarHBondContact O-N 2.93Å; F91-K93 PolarHBondContact O-N 2.8Å; F91-A94 WeakPolarHBondContact O-CB 3.29Å; F91-A94 PolarHBondContact O-N 2.82Å; F91-M95 HydrophobicContact CD1-CG 4.3Å; F91-M95 HydrophobicContact CD2-CG 4.28Å; F91-M95 HydrophobicContact CE1-CE 3.76Å; F91-M95 HydrophobicContact CE1-CG 3.9Å; F91-M95 HydrophobicContact CE1-SD 3.62Å; F91-M95 HydrophobicContact CE2-CG 3.91Å; F91-M95 HydrophobicContact CE2-SD 3.78Å; F91-M95 HydrophobicContact CG-CG 4.49Å; F91-M95 HydrophobicContact CZ-CE 3.9Å; F91-M95 HydrophobicContact CZ-CG 3.73Å; F91-M95 HydrophobicContact CZ-SD 3.17Å; F91-M95 WeakPolarHBondContact CZ-SD 2.82Å; F91-M95 VanDerWaalsContact O-CG 3.27Å; F91-M95 WeakPolarHBondContact O-CG 3.42Å; F91-M95 PolarHBondContact O-N 3.18Å; F91-F106 HydrophobicContact CD1-CE1 4.48Å; F91-F106 AromaticContact CD1-CZ 3.85Å; F91-F106 HydrophobicContact CD1-CZ 3.85Å; F91-F106 AromaticContact CE1-CE1 3.77Å; F91-F106 HydrophobicContact CE1-CE1 3.77Å; F91-F106 AromaticContact CE1-CZ 3.52Å; F91-F106 HydrophobicContact CE1-CZ 3.52Å
92	I	81.2	Confident	77.6	Confident	34 Å²	34	52.4 Å²	52.4	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-47.2	178.8	-67.6	163	0	0	0	110.6	L88 S89 A94 M95 V96 L105 F106 A108	L88-I92 WeakPolarHBondContact O-CD1 3.36Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.23Å; L88-I92 PolarHBondContact O-N 2.86Å; S89-I92 PolarHBondContact O-N 3.46Å; I92-A94 VanDerWaalsContact C-N 3.28Å; I92-A94 PolarHBondContact O-N 3.33Å; I92-M95 PolarHBondContact O-N 3.45Å; I92-M95 VanDerWaalsContact O-N 3.14Å; I92-V96 WeakPolarHBondContact O-CG2 3.45Å; I92-V96 PolarHBondContact O-N 3.11Å; I92-L105 HydrophobicContact CG2-CB 4.38Å; I92-L105 HydrophobicContact CG2-CD1 3.9Å; I92-F106 WeakPolarHBondContact CD1-O 3.21Å; I92-A108 HydrophobicContact CD1-CB 3.95Å
93	K	84.1	Confident	76.2	Confident	128 Å²	128	51.4 Å²	51.4	56%	0.557	29%	0.294	S	S	*	.	H	α-helix	trans	-57.5	-42.6	176.4	-72.2	172	-174.1	171.3	0	111.9	S89 N90 F91 V96 S97	S89-K93 WeakPolarHBondContact O-CG 3.42Å; S89-K93 PolarHBondContact O-N 3.14Å; N90-K93 PolarHBondContact O-N 3.3Å; F91-K93 PolarHBondContact O-N 2.8Å; K93-V96 PolarHBondContact O-N 2.99Å; K93-S97 PolarHBondContact O-N 3.49Å
94	A	80.9	Confident	74.5	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-66.9	-36.3	178.1	0	0	0	0	0	112.5	M64 V72 N90 F91 I92 S97 Y98	M64-A94 HydrophobicContact CE-CB 4.46Å; M64-A94 HydrophobicContact CG-CB 3.49Å; M64-A94 VanDerWaalsContact CG-CB 3.49Å; M64-A94 HydrophobicContact SD-CB 4.33Å; V72-A94 HydrophobicContact CG2-CB 3.99Å; N90-A94 WeakPolarHBondContact O-CB 3.37Å; N90-A94 PolarHBondContact O-N 3.39Å; F91-A94 WeakPolarHBondContact O-CB 3.29Å; F91-A94 PolarHBondContact O-N 2.82Å; I92-A94 VanDerWaalsContact C-N 3.28Å; I92-A94 PolarHBondContact O-N 3.33Å; A94-S97 WeakPolarHBondContact O-CB 3.33Å; A94-S97 PolarHBondContact O-N 2.9Å; A94-Y98 WeakPolarHBondContact O-CB 3.27Å; A94-Y98 PolarHBondContact O-N 2.89Å
95	M	76.4	Confident	73.4	Confident	16 Å²	16	53 Å²	53	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-37.6	174.9	-61.9	-129.9	-55.5	0	0	112.7	M64 F91 I92 S97 Y98 G99 M100 L105	M64-M95 HydrophobicContact SD-CG 4.11Å; F91-M95 HydrophobicContact CD1-CG 4.3Å; F91-M95 HydrophobicContact CD2-CG 4.28Å; F91-M95 HydrophobicContact CE1-CE 3.76Å; F91-M95 HydrophobicContact CE1-CG 3.9Å; F91-M95 HydrophobicContact CE1-SD 3.62Å; F91-M95 HydrophobicContact CE2-CG 3.91Å; F91-M95 HydrophobicContact CE2-SD 3.78Å; F91-M95 HydrophobicContact CG-CG 4.49Å; F91-M95 HydrophobicContact CZ-CE 3.9Å; F91-M95 HydrophobicContact CZ-CG 3.73Å; F91-M95 HydrophobicContact CZ-SD 3.17Å; F91-M95 WeakPolarHBondContact CZ-SD 2.82Å; F91-M95 VanDerWaalsContact O-CG 3.27Å; F91-M95 WeakPolarHBondContact O-CG 3.42Å; F91-M95 PolarHBondContact O-N 3.18Å; I92-M95 PolarHBondContact O-N 3.45Å; I92-M95 VanDerWaalsContact O-N 3.14Å; M95-S97 VanDerWaalsContact C-N 3.33Å; M95-Y98 WeakPolarHBondContact O-CB 3.49Å; M95-Y98 PolarHBondContact O-N 3.31Å; M95-G99 PolarHBondContact O-N 2.66Å; M95-M100 HydrophobicContact CB-CB 4.41Å; M95-M100 HydrophobicContact CE-CE 3.16Å; M95-M100 WeakPolarHBondContact O-CB 3.26Å; M95-M100 PolarHBondContact O-N 3.13Å; M95-M100 HydrophobicContact SD-CE 3.66Å; M95-L105 HydrophobicContact CB-CD1 4.48Å; M95-L105 HydrophobicContact CB-CD2 3.66Å; M95-L105 HydrophobicContact CE-CD2 3.13Å; M95-L105 HydrophobicContact CG-CD2 4.45Å
96	V	77.9	Confident	72.4	Confident	71 Å²	71	51.2 Å²	51.2	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-60	-46.5	170.8	177.6	0	0	0	0	110.1	I92 K93 Y98 G99 L105	I92-V96 WeakPolarHBondContact O-CG2 3.45Å; I92-V96 PolarHBondContact O-N 3.11Å; K93-V96 PolarHBondContact O-N 2.99Å; V96-Y98 PolarHBondContact O-N 3.45Å; V96-G99 PolarHBondContact O-N 2.7Å; V96-L105 HydrophobicContact CB-CD1 4.4Å; V96-L105 HydrophobicContact CG2-CD1 3.22Å
97	S	78.8	Confident	70.9	Confident	91 Å²	91	53.4 Å²	53.4	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-62.3	-31.9	177.9	-168.8	0	0	0	0	112.7	K93 A94 M95 G99	K93-S97 PolarHBondContact O-N 3.49Å; A94-S97 WeakPolarHBondContact O-CB 3.33Å; A94-S97 PolarHBondContact O-N 2.9Å; M95-S97 VanDerWaalsContact C-N 3.33Å; S97-G99 PolarHBondContact O-N 2.99Å
98	Y	74.8	Confident	69.2	Low	92 Å²	92	54.1 Å²	54.1	36%	0.361	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12	174.4	-163.2	-105.5	0	0	0	113.5	M64 L67 Q68 A94 M95 V96 L127	M64-Y98 HydrophobicContact CE-CD2 3.5Å; M64-Y98 VanDerWaalsContact CE-CD2 3.5Å; M64-Y98 HydrophobicContact CE-CE2 4.34Å; M64-Y98 HydrophobicContact CE-CG 3.69Å; L67-Y98 HydrophobicContact CB-CE2 4.41Å; Q68-Y98 HydrophobicContact CB-CD2 4.07Å; Q68-Y98 HydrophobicContact CB-CE2 4.14Å; Q68-Y98 VanDerWaalsContact OE1-CD2 3.3Å; A94-Y98 WeakPolarHBondContact O-CB 3.27Å; A94-Y98 PolarHBondContact O-N 2.89Å; M95-Y98 WeakPolarHBondContact O-CB 3.49Å; M95-Y98 PolarHBondContact O-N 3.31Å; V96-Y98 PolarHBondContact O-N 3.45Å; Y98-L127 HydrophobicContact CE1-CD1 4.48Å
99	G	65.9	Low	67.7	Low	62 Å²	62	58.2 Å²	58.2	64%	0.639	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	13.8	179.4	0	0	0	0	0	114.6	M95 V96 S97	M95-G99 PolarHBondContact O-N 2.66Å; V96-G99 PolarHBondContact O-N 2.7Å; S97-G99 PolarHBondContact O-N 2.99Å
100	M	64.9	Low	66.4	Low	11 Å²	11	57.8 Å²	57.8	5%	0.054	33%	0.326	C	S	.	.			trans	-79	137.3	172.6	-66.4	-113	-74.4	0	0	111	M95 L105 I133	M95-M100 HydrophobicContact CB-CB 4.41Å; M95-M100 HydrophobicContact CE-CE 3.16Å; M95-M100 WeakPolarHBondContact O-CB 3.26Å; M95-M100 PolarHBondContact O-N 3.13Å; M95-M100 HydrophobicContact SD-CE 3.66Å; M100-L105 HydrophobicContact CB-CD2 4.04Å; M100-L105 HydrophobicContact CE-CD2 4.13Å; M100-I133 HydrophobicContact SD-CG2 3.85Å
101	N	52.2	Low	65	Low	103 Å²	103	56.6 Å²	56.6	55%	0.551	32%	0.32	S	S	*	.			trans	-65.8	135.6	177.8	-78.4	-36.7	0	0	0	110.9	V103 D104 L105	N101-V103 PolarHBondContact O-N 3.49Å; N101-D104 HydrophobicContact CB-CB 4.37Å; N101-D104 CarbonylContact O-C 3.43Å; N101-D104 VanDerWaalsContact O-CA 3.27Å; N101-D104 WeakPolarHBondContact O-CA 3.41Å; N101-D104 WeakPolarHBondContact O-CB 3.21Å; N101-D104 PolarHBondContact O-N 3.05Å; N101-L105 WeakPolarHBondContact O-CG 3.48Å; N101-L105 PolarHBondContact O-N 2.94Å
102	P	54.9	Low	63.4	Low	89 Å²	89	57.6 Å²	57.6	58%	0.578	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-63.3	-26	-179.6	24.4	-33.1	0	0	0	113.2	D104 L105	P102-D104 PolarHBondContact O-N 3.29Å; P102-L105 HydrophobicContact CB-CD1 4.48Å; P102-L105 PolarHBondContact O-N 2.97Å; P102-L105 VanDerWaalsContact O-N 3.11Å
103	V	52	Low	61.9	Low	122 Å²	122	62.1 Å²	62.1	74%	0.739	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-66.3	-23.7	172.5	-168.9	0	0	0	0	111.4	N101 K123	N101-V103 PolarHBondContact O-N 3.49Å; V103-K123 WeakPolarHBondContact O-CE 3.25Å; V103-K123 PolarHBondContact O-NZ 2.87Å
104	D	50.3	Low	60.3	Low	66 Å²	66	59.9 Å²	59.9	35%	0.353	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-97.1	14.9	175.3	-64.4	-41.3	0	0	0	112.9	N101 P102 K123	N101-D104 HydrophobicContact CB-CB 4.37Å; N101-D104 CarbonylContact O-C 3.43Å; N101-D104 VanDerWaalsContact O-CA 3.27Å; N101-D104 WeakPolarHBondContact O-CA 3.41Å; N101-D104 WeakPolarHBondContact O-CB 3.21Å; N101-D104 PolarHBondContact O-N 3.05Å; P102-D104 PolarHBondContact O-N 3.29Å; D104-K123 VanDerWaalsContact C-NZ 3.29Å; D104-K123 HydrophobicContact CB-CG 4.18Å; D104-K123 WeakPolarHBondContact O-CB 3.39Å; D104-K123 WeakPolarHBondContact O-CD 3.42Å; D104-K123 WeakPolarHBondContact O-CG 3.17Å
105	L	58.3	Low	58.6	Low	12 Å²	12	61.5 Å²	61.5	6%	0.063	36%	0.362	C	S	.	.	S	Bend	trans	-109	138.7	174.1	-57.9	178.2	0	0	0	110.8	I92 M95 V96 M100 N101 P102 K123	I92-L105 HydrophobicContact CG2-CB 4.38Å; I92-L105 HydrophobicContact CG2-CD1 3.9Å; M95-L105 HydrophobicContact CB-CD1 4.48Å; M95-L105 HydrophobicContact CB-CD2 3.66Å; M95-L105 HydrophobicContact CE-CD2 3.13Å; M95-L105 HydrophobicContact CG-CD2 4.45Å; V96-L105 HydrophobicContact CB-CD1 4.4Å; V96-L105 HydrophobicContact CG2-CD1 3.22Å; M100-L105 HydrophobicContact CB-CD2 4.04Å; M100-L105 HydrophobicContact CE-CD2 4.13Å; N101-L105 WeakPolarHBondContact O-CG 3.48Å; N101-L105 PolarHBondContact O-N 2.94Å; P102-L105 HydrophobicContact CB-CD1 4.48Å; P102-L105 PolarHBondContact O-N 2.97Å; P102-L105 VanDerWaalsContact O-N 3.11Å; L105-K123 VanDerWaalsContact N-NZ 3.13Å; L105-K123 PolarHBondContact O-NZ 3.31Å
106	F	59.4	Low	57.2	Low	11 Å²	11	62.1 Å²	62.1	5%	0.048	37%	0.366	C	S	.	.			trans	-78.7	146.3	170.7	58.1	-91.7	0	0	0	109.2	L60 L88 F91 I92 L111 Q119 V120	L60-F106 HydrophobicContact CD1-CZ 3.97Å; L88-F106 HydrophobicContact CD2-CE2 4.22Å; F91-F106 HydrophobicContact CD1-CE1 4.48Å; F91-F106 AromaticContact CD1-CZ 3.85Å; F91-F106 HydrophobicContact CD1-CZ 3.85Å; F91-F106 AromaticContact CE1-CE1 3.77Å; F91-F106 HydrophobicContact CE1-CE1 3.77Å; F91-F106 AromaticContact CE1-CZ 3.52Å; F91-F106 HydrophobicContact CE1-CZ 3.52Å; I92-F106 WeakPolarHBondContact CD1-O 3.21Å; F106-L111 HydrophobicContact CD2-CB 4.27Å; F106-L111 HydrophobicContact CE2-CB 4.32Å; F106-L111 HydrophobicContact CE2-CD2 4.23Å; F106-Q119 HydrophobicContact CB-CB 4.21Å; F106-V120 HydrophobicContact CD1-CG2 4.45Å; F106-V120 HydrophobicContact CG-CG2 4.34Å
107	E	53.7	Low	55.7	Low	125 Å²	125	62.1 Å²	62.1	58%	0.584	36%	0.362	S	S	*	.			trans	-75.3	145.5	174.6	-68.5	-173.3	-177	0	0	110.7	N109 D110	E107-N109 PolarHBondContact O-N 3.46Å; E107-N109 VanDerWaalsContact O-N 3.13Å; E107-D110 HydrophobicContact CB-CB 4.47Å; E107-D110 WeakPolarHBondContact O-CB 3.47Å; E107-D110 PolarHBondContact O-N 2.84Å
108	A	51.6	Low	54.1	Low	15 Å²	15	58.4 Å²	58.4	12%	0.124	34%	0.336	C	S	.	.	H	α-helix	trans	-56.6	-32	178.4	0	0	0	0	0	112	L85 L88 I92 F112	L85-A108 HydrophobicContact CD2-CB 4.46Å; L88-A108 HydrophobicContact CB-CB 3.6Å; I92-A108 HydrophobicContact CD1-CB 3.95Å; A108-F112 WeakPolarHBondContact O-CB 3.34Å; A108-F112 PolarHBondContact O-N 3.21Å
109	N	50.2	Low	52.8	Low	87 Å²	87	56.3 Å²	56.3	47%	0.465	33%	0.329	S	S	.	.	H	α-helix	trans	-72.5	-33.2	177.6	-63.7	-35.1	0	0	0	112.7	E107 L111 F112 E113	E107-N109 PolarHBondContact O-N 3.46Å; E107-N109 VanDerWaalsContact O-N 3.13Å; N109-L111 PolarHBondContact O-N 3.33Å; N109-F112 PolarHBondContact O-N 2.95Å; N109-E113 WeakPolarHBondContact O-CB 3.13Å; N109-E113 PolarHBondContact O-N 3.44Å
110	D	57.4	Low	51.9	Low	34 Å²	34	54 Å²	54	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-39.4	179.9	-84.8	-41.1	0	0	0	112.4	E107 N116 Q119	E107-D110 HydrophobicContact CB-CB 4.47Å; E107-D110 WeakPolarHBondContact O-CB 3.47Å; E107-D110 PolarHBondContact O-N 2.84Å; D110-N116 HydrophobicContact CB-CB 4.02Å; D110-N116 PolarHBondContact O-N 3.48Å; D110-N116 PolarHBondContact OD1-ND2 2.96Å; D110-Q119 PolarHBondContact OD2-NE2 3.23Å
111	L	56.6	Low	50.8	Low	6 Å²	6	53.7 Å²	53.7	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-77.6	-37.9	176.6	-164.6	81.7	0	0	0	111.6	L54 L60 L88 F106 N109 V120	L54-L111 HydrophobicContact CB-CD2 4.35Å; L54-L111 WeakPolarHBondContact O-CD2 3.5Å; L60-L111 HydrophobicContact CD1-CD2 4.11Å; L88-L111 HydrophobicContact CD1-CD2 4.24Å; L88-L111 HydrophobicContact CD2-CD2 3.37Å; L88-L111 HydrophobicContact CG-CD2 4.46Å; F106-L111 HydrophobicContact CD2-CB 4.27Å; F106-L111 HydrophobicContact CE2-CB 4.32Å; F106-L111 HydrophobicContact CE2-CD2 4.23Å; N109-L111 PolarHBondContact O-N 3.33Å; L111-V120 HydrophobicContact CD1-CG1 4.35Å; L111-V120 HydrophobicContact CD1-CG2 3.44Å; L111-V120 VanDerWaalsContact CD1-CG2 3.44Å
112	F	49.2	Very low	50.5	Low	30 Å²	30	52 Å²	52	13%	0.132	30%	0.301	C	S	.	.	H	α-helix	trans	-73.4	-37.5	-174.4	-173.7	-95.3	0	0	0	113.3	K55 N81 Q84 L85 L88 A108 N109 S114	K55-F112 WeakPolarHBondContact CE-O 3.35Å; K55-F112 HydrophobicContact CG-CD2 4.45Å; N81-F112 HydrophobicContact CB-CE1 4.48Å; N81-F112 HydrophobicContact CB-CE2 4.18Å; N81-F112 HydrophobicContact CB-CZ 3.55Å; Q84-F112 HydrophobicContact CB-CD2 4.31Å; Q84-F112 HydrophobicContact CB-CE2 4.02Å; Q84-F112 VanDerWaalsContact OE1-CE2 3.26Å; L85-F112 HydrophobicContact CD1-CD1 4.49Å; L85-F112 HydrophobicContact CD1-CE1 4.5Å; L85-F112 HydrophobicContact CD2-CB 3.68Å; L85-F112 HydrophobicContact CD2-CD1 3.98Å; L85-F112 HydrophobicContact CD2-CD2 3.96Å; L85-F112 HydrophobicContact CD2-CG 3.59Å; L85-F112 HydrophobicContact CG-CD1 4.3Å; L85-F112 HydrophobicContact CG-CD2 4.01Å; L85-F112 HydrophobicContact CG-CE2 4.26Å; L85-F112 HydrophobicContact CG-CG 4.05Å; L88-F112 HydrophobicContact CD1-CB 4.38Å; A108-F112 WeakPolarHBondContact O-CB 3.34Å; A108-F112 PolarHBondContact O-N 3.21Å; N109-F112 PolarHBondContact O-N 2.95Å; F112-S114 VanDerWaalsContact C-N 3.34Å; F112-S114 PolarHBondContact O-N 3.13Å
113	E	50.1	Low	50.3	Low	130 Å²	130	49.4 Å²	49.4	61%	0.607	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	7.9	-176.3	-69.6	-161.4	141.3	0	0	114.7	N109 G115	N109-E113 WeakPolarHBondContact O-CB 3.13Å; N109-E113 PolarHBondContact O-N 3.44Å; E113-G115 PolarHBondContact O-N 2.94Å
114	S	50.6	Low	49.9	Very low	80 Å²	80	44.9 Å²	44.9	56%	0.559	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	31.8	-176.5	61.8	0	0	0	0	113.5	F112	F112-S114 VanDerWaalsContact C-N 3.34Å; F112-S114 PolarHBondContact O-N 3.13Å
115	G	44.6	Very low	49.5	Very low	38 Å²	38	47.5 Å²	47.5	39%	0.392	26%	0.262	S	S	.	.			trans	-94.9	-30.5	-174.7	0	0	0	0	0	114.8	E113	E113-G115 PolarHBondContact O-N 2.94Å
116	N	47.8	Very low	48.8	Very low	30 Å²	30	47.5 Å²	47.5	16%	0.16	27%	0.265	C	S	.	.			trans	-147.5	75	-163.2	-95.9	-29.1	0	0	0	114.8	L22 D110 T118	L22-N116 VanDerWaalsContact CD1-OD1 3.3Å; L22-N116 WeakPolarHBondContact CD1-OD1 3.37Å; L22-N116 WeakPolarHBondContact CD2-OD1 3.39Å; D110-N116 HydrophobicContact CB-CB 4.02Å; D110-N116 PolarHBondContact O-N 3.48Å; D110-N116 PolarHBondContact OD1-ND2 2.96Å; N116-T118 PolarHBondContact O-N 3.46Å
117	M	46.6	Very low	48	Very low	71 Å²	71	48.6 Å²	48.6	35%	0.35	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6	179.1	-153.4	138.8	53.7	0	0	114.6	Y26 Q51	Y26-M117 HydrophobicContact CD2-CG 4.42Å; Y26-M117 HydrophobicContact CE2-CG 3.96Å; Q51-M117 HydrophobicContact CB-SD 3.57Å; Q51-M117 VanDerWaalsContact CB-SD 3.57Å; Q51-M117 VanDerWaalsContact CD-SD 3.57Å; Q51-M117 HydrophobicContact CG-SD 3.81Å; Q51-M117 PolarHBondContact OE1-SD 3.44Å
118	T	44.5	Very low	47.4	Very low	12 Å²	12	46.5 Å²	46.5	7%	0.074	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-14.7	-175.3	40.9	0	0	0	0	115.6	L22 Y26 N116 A122	L22-T118 VanDerWaalsContact CB-OG1 3.27Å; L22-T118 WeakPolarHBondContact CB-OG1 3.29Å; L22-T118 WeakPolarHBondContact CD2-OG1 3.46Å; L22-T118 VanDerWaalsContact O-CB 3.23Å; L22-T118 WeakPolarHBondContact O-CB 3.3Å; L22-T118 WeakPolarHBondContact O-CG2 3.45Å; L22-T118 PolarHBondContact O-OG1 3.29Å; L22-T118 VanDerWaalsContact O-OG1 3.07Å; Y26-T118 HydrophobicContact CD2-CG2 4.17Å; Y26-T118 HydrophobicContact CG-CG2 4.34Å; N116-T118 PolarHBondContact O-N 3.46Å; T118-A122 PolarHBondContact O-N 3.46Å
119	Q	47.2	Very low	46.9	Very low	48 Å²	48	48.3 Å²	48.3	22%	0.224	27%	0.273	C	S	.	.	H	α-helix	trans	-73.5	-32.5	167.7	-72.5	-163.7	69.1	0	0	112	L22 F106 D110 Q121 K123	L22-Q119 HydrophobicContact CD2-CG 4.18Å; F106-Q119 HydrophobicContact CB-CB 4.21Å; D110-Q119 PolarHBondContact OD2-NE2 3.23Å; Q119-Q121 VanDerWaalsContact C-N 3.32Å; Q119-Q121 PolarHBondContact O-N 3.44Å; Q119-K123 WeakPolarHBondContact O-CD 3.41Å
120	V	48.5	Very low	46.8	Very low	13 Å²	13	48.3 Å²	48.3	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-31	-175.7	-173.7	0	0	0	0	112.1	F50 F106 L111 T124	F50-V120 HydrophobicContact CE1-CG1 4.42Å; F106-V120 HydrophobicContact CD1-CG2 4.45Å; F106-V120 HydrophobicContact CG-CG2 4.34Å; L111-V120 HydrophobicContact CD1-CG1 4.35Å; L111-V120 HydrophobicContact CD1-CG2 3.44Å; L111-V120 VanDerWaalsContact CD1-CG2 3.44Å; V120-T124 PolarHBondContact O-OG1 2.9Å
121	Q	41.4	Very low	46	Very low	5 Å²	5	52.4 Å²	52.4	2%	0.023	32%	0.32	C	S	.	.	H	α-helix	trans	-89.9	-30.3	178	-70.2	-179.5	1.7	0	0	114.6	D27 E31 L34 Q119 K123 T124	D27-Q121 PolarHBondContact O-OE1 3.06Å; E31-Q121 VanDerWaalsContact CB-NE2 3.29Å; E31-Q121 PolarHBondContact OE2-NE2 2.88Å; E31-Q121 VanDerWaalsContact OE2-NE2 3.14Å; L34-Q121 HydrophobicContact CD1-CB 4.18Å; L34-Q121 HydrophobicContact CD1-CG 3.96Å; Q119-Q121 VanDerWaalsContact C-N 3.32Å; Q119-Q121 PolarHBondContact O-N 3.44Å; Q121-K123 VanDerWaalsContact C-N 3.28Å; Q121-K123 PolarHBondContact O-N 2.89Å; Q121-T124 PolarHBondContact O-OG1 2.91Å
122	A	46.1	Very low	44.9	Very low	68 Å²	68	57.7 Å²	57.7	56%	0.562	35%	0.348	S	S	*	.	H	α-helix	trans	-67.1	-32.7	-179.5	0	0	0	0	0	112.3	T118	T118-A122 PolarHBondContact O-N 3.46Å
123	K	49.9	Very low	44.3	Very low	34 Å²	34	60.4 Å²	60.4	15%	0.148	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-17.1	-168.9	-72.8	159	170.3	-149.5	0	114.1	V103 D104 L105 Q119 Q121	V103-K123 WeakPolarHBondContact O-CE 3.25Å; V103-K123 PolarHBondContact O-NZ 2.87Å; D104-K123 VanDerWaalsContact C-NZ 3.29Å; D104-K123 HydrophobicContact CB-CG 4.18Å; D104-K123 WeakPolarHBondContact O-CB 3.39Å; D104-K123 WeakPolarHBondContact O-CD 3.42Å; D104-K123 WeakPolarHBondContact O-CG 3.17Å; L105-K123 VanDerWaalsContact N-NZ 3.13Å; L105-K123 PolarHBondContact O-NZ 3.31Å; Q119-K123 WeakPolarHBondContact O-CD 3.41Å; Q121-K123 VanDerWaalsContact C-N 3.28Å; Q121-K123 PolarHBondContact O-N 2.89Å
124	T	44.8	Very low	43.5	Very low	27 Å²	27	55.8 Å²	55.8	17%	0.166	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-86.2	-9.9	177.3	30	0	0	0	0	113.7	L34 V120 Q121 G126 L127	L34-T124 WeakPolarHBondContact CD1-OG1 3.26Å; L34-T124 HydrophobicContact CD2-CG2 3.69Å; L34-T124 WeakPolarHBondContact CD2-OG1 3.22Å; V120-T124 PolarHBondContact O-OG1 2.9Å; Q121-T124 PolarHBondContact O-OG1 2.91Å; T124-G126 PolarHBondContact O-N 2.88Å; T124-L127 PolarHBondContact O-N 2.68Å; T124-L127 VanDerWaalsContact O-N 3.12Å
125	K	41.2	Very low	42.9	Very low	121 Å²	121	56.9 Å²	56.9	53%	0.526	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-63.4	-19.1	169.9	-126.3	-173.1	-177.9	-162.9	0	113.9	K30 L127	K30-K125 HydrophobicContact CD-CD 4.38Å; K125-L127 VanDerWaalsContact C-N 3.32Å
126	G	44.3	Very low	42.7	Very low	13 Å²	13	63.2 Å²	63.2	13%	0.134	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-73.1	-24.8	173.2	0	0	0	0	0	113.1	T124 I133	T124-G126 PolarHBondContact O-N 2.88Å; G126-I133 WeakPolarHBondContact O-CG1 3.23Å
127	L	42.2	Very low	42.3	Very low	33 Å²	33	71.2 Å²	71.2	17%	0.173	40%	0.399	C	S	.	.	S	Bend	trans	-92	-11.9	-167	-155.8	49.6	0	0	0	113.6	W37 L67 Y98 T124 K125 I133	W37-L127 HydrophobicContact CH2-CB 4.03Å; W37-L127 HydrophobicContact CH2-CD2 3.1Å; W37-L127 HydrophobicContact CH2-CG 3.32Å; W37-L127 HydrophobicContact CZ2-CB 4.22Å; W37-L127 HydrophobicContact CZ2-CD2 3.88Å; W37-L127 HydrophobicContact CZ2-CG 3.54Å; W37-L127 HydrophobicContact CZ3-CB 4.47Å; W37-L127 HydrophobicContact CZ3-CD2 3.73Å; W37-L127 HydrophobicContact CZ3-CG 4.16Å; L67-L127 HydrophobicContact CD1-CD2 4.04Å; Y98-L127 HydrophobicContact CE1-CD1 4.48Å; T124-L127 PolarHBondContact O-N 2.68Å; T124-L127 VanDerWaalsContact O-N 3.12Å; K125-L127 VanDerWaalsContact C-N 3.32Å; L127-I133 HydrophobicContact CD1-CD1 4.41Å
128	Q	40.8	Very low	41.7	Very low	81 Å²	81	73.2 Å²	73.2	38%	0.379	42%	0.421	S	S	.	.	S	Bend	trans	-90.3	-17.2	179.6	-104.4	172.1	-17.3	0	0	114.2	E33 W37	E33-Q128 PolarHBondContact O-NE2 2.94Å; W37-Q128 HydrophobicContact CG-CG 4.17Å
129	S	40.8	Very low	41.5	Very low	53 Å²	53	80.8 Å²	80.8	37%	0.371	46%	0.455	S	S	.	.	S	Bend	trans	-96.7	117.5	169.1	60.4	0	0	0	0	108.4	V131 D132	S129-V131 WeakPolarHBondContact CB-O 3.49Å; S129-V131 PolarHBondContact O-N 3.17Å; S129-V131 PolarHBondContact OG-O 2.91Å; S129-D132 PolarHBondContact OG-O 3.48Å
130	G	47.4	Very low	41.4	Very low	87 Å²	87	86.1 Å²	86.1	90%	0.897	48%	0.477	S	S	*	.	S	Bend	trans	-60.5	6.1	175	0	0	0	0	0	115.1
131	V	41.8	Very low	41	Very low	121 Å²	121	93.6 Å²	93.6	73%	0.733	51%	0.512	S	S	*	.	S	Bend	trans	-153.2	140.4	171.5	179.9	0	0	0	0	105.9	S129	S129-V131 WeakPolarHBondContact CB-O 3.49Å; S129-V131 PolarHBondContact O-N 3.17Å; S129-V131 PolarHBondContact OG-O 2.91Å
132	D	34	Very low	41.2	Very low	116 Å²	116	99.4 Å²	99.4	62%	0.62	54%	0.539	S	S	*	.			trans	76.7	62.7	180	-90.8	-4.9	0	0	0	117.7	S129 G134	S129-D132 PolarHBondContact OG-O 3.48Å; D132-G134 PolarHBondContact O-N 3.35Å
133	I	35.7	Very low	41.4	Very low	88 Å²	88	104.5 Å²	104.5	45%	0.451	54%	0.543	S	S	.	.			trans	-68.7	88.9	149.8	-61.1	161.9	0	0	0	107.3	M100 G126 L127	M100-I133 HydrophobicContact SD-CG2 3.85Å; G126-I133 WeakPolarHBondContact O-CG1 3.23Å; L127-I133 HydrophobicContact CD1-CD1 4.41Å
134	G	34.2	Very low	41.3	Very low	32 Å²	32	110.1 Å²	110.1	33%	0.33	58%	0.575	S	S	.	*	S	Bend	trans	150.1	125.1	171	0	0	0	0	0	110.6	D132 K136	D132-G134 PolarHBondContact O-N 3.35Å; G134-K136 PolarHBondContact O-N 3.31Å
135	V	37.2	Very low	41.6	Very low	103 Å²	103	113.3 Å²	113.3	62%	0.624	59%	0.587	S	S	*	*			trans	-50.5	115.3	148.6	174	0	0	0	0	105.1	Y137	V135-Y137 HydrophobicContact CB-CD2 3.77Å; V135-Y137 HydrophobicContact CB-CE2 3.45Å; V135-Y137 VanDerWaalsContact CB-CE2 3.45Å; V135-Y137 HydrophobicContact CG1-CD1 4.31Å; V135-Y137 HydrophobicContact CG1-CD2 3.65Å; V135-Y137 HydrophobicContact CG1-CE1 4.05Å; V135-Y137 HydrophobicContact CG1-CE2 3.35Å; V135-Y137 HydrophobicContact CG1-CG 4.13Å; V135-Y137 HydrophobicContact CG2-CE2 4.27Å; V135-Y137 VanDerWaalsContact O-CD2 3.31Å; V135-Y137 WeakPolarHBondContact O-CD2 3.45Å; V135-Y137 PolarHBondContact O-N 3.44Å
136	K	41.2	Very low	42.2	Very low	172 Å²	172	113.6 Å²	113.6	75%	0.748	59%	0.594	S	S	*	*			trans	-62.6	85.8	171.5	-173.9	172	-176.1	166.6	0	107.4	G134 S138	G134-K136 PolarHBondContact O-N 3.31Å; K136-S138 PolarHBondContact O-N 2.89Å
137	Y	37.5	Very low	42.9	Very low	197 Å²	197	118.7 Å²	118.7	77%	0.773	62%	0.618	S	S	*	*			trans	-73.4	118.3	165.1	-76.8	-74.6	0	0	0	105.7	V135 E139	V135-Y137 HydrophobicContact CB-CD2 3.77Å; V135-Y137 HydrophobicContact CB-CE2 3.45Å; V135-Y137 VanDerWaalsContact CB-CE2 3.45Å; V135-Y137 HydrophobicContact CG1-CD1 4.31Å; V135-Y137 HydrophobicContact CG1-CD2 3.65Å; V135-Y137 HydrophobicContact CG1-CE1 4.05Å; V135-Y137 HydrophobicContact CG1-CE2 3.35Å; V135-Y137 HydrophobicContact CG1-CG 4.13Å; V135-Y137 HydrophobicContact CG2-CE2 4.27Å; V135-Y137 VanDerWaalsContact O-CD2 3.31Å; V135-Y137 WeakPolarHBondContact O-CD2 3.45Å; V135-Y137 PolarHBondContact O-N 3.44Å; Y137-E139 PolarHBondContact O-N 3.43Å; Y137-E139 VanDerWaalsContact O-N 3.14Å
138	S	34.8	Very low	43.8	Very low	114 Å²	114	120.6 Å²	120.6	80%	0.797	64%	0.638	S	S	*	*			trans	-43.7	119.2	-172.7	-58.2	0	0	0	0	111.6	K136 K140	K136-S138 PolarHBondContact O-N 2.89Å; S138-K140 PolarHBondContact O-N 3.03Å
139	E	41.3	Very low	44.7	Very low	170 Å²	170	120.5 Å²	120.5	79%	0.794	64%	0.644	S	S	*	*			trans	-53.3	135.2	164.3	-156.8	163.4	-176.1	0	0	107.8	Y137 Q141	Y137-E139 PolarHBondContact O-N 3.43Å; Y137-E139 VanDerWaalsContact O-N 3.14Å; E139-Q141 PolarHBondContact O-N 3.5Å
140	K	43.3	Very low	45.6	Very low	160 Å²	160	123.3 Å²	123.3	70%	0.696	65%	0.652	S	S	*	*			trans	-55.4	104.4	175.6	179	-167.9	179.9	-162.7	0	107.1	S138 E142	S138-K140 PolarHBondContact O-N 3.03Å; K140-E142 HydrophobicContact CD-CG 3.84Å; K140-E142 WeakPolarHBondContact CE-OE1 3.43Å; K140-E142 HydrophobicContact CG-CG 4.12Å; K140-E142 IonicContact NZ-OE1 2.94Å; K140-E142 PolarHBondContact NZ-OE1 3.42Å; K140-E142 PolarHBondContact O-N 3.09Å
141	Q	40.9	Very low	46.3	Very low	171 Å²	171	126.2 Å²	126.2	80%	0.799	64%	0.64	S	S	*	*			trans	-70.6	90.9	169.7	-167.1	-174	5.4	0	0	106.2	E139 R143	E139-Q141 PolarHBondContact O-N 3.5Å; Q141-R143 VanDerWaalsContact C-N 3.28Å; Q141-R143 PolarHBondContact O-N 3.28Å
142	E	46.3	Very low	47.3	Very low	127 Å²	127	123.5 Å²	123.5	59%	0.593	63%	0.63	S	S	*	*			trans	-63.2	99.7	165.5	-78.2	-171.5	163.3	0	0	107.2	K140 N144	K140-E142 HydrophobicContact CD-CG 3.84Å; K140-E142 WeakPolarHBondContact CE-OE1 3.43Å; K140-E142 HydrophobicContact CG-CG 4.12Å; K140-E142 IonicContact NZ-OE1 2.94Å; K140-E142 PolarHBondContact NZ-OE1 3.42Å; K140-E142 PolarHBondContact O-N 3.09Å; E142-N144 PolarHBondContact O-N 2.77Å
143	R	49.6	Very low	48.5	Very low	175 Å²	175	120 Å²	120	66%	0.66	62%	0.622	S	S	*	*			trans	-66.6	94.1	165.6	-114.2	177.3	170.7	-159.1	-0.9	106.1	Q141 F145	Q141-R143 VanDerWaalsContact C-N 3.28Å; Q141-R143 PolarHBondContact O-N 3.28Å; R143-F145 HydrophobicContact CB-CD2 4.12Å; R143-F145 HydrophobicContact CB-CE1 4.36Å; R143-F145 HydrophobicContact CB-CE2 3.71Å; R143-F145 HydrophobicContact CB-CZ 3.87Å; R143-F145 HydrophobicContact CG-CE1 4.38Å; R143-F145 HydrophobicContact CG-CZ 4.22Å; R143-F145 VanDerWaalsContact O-CD2 3.26Å; R143-F145 WeakPolarHBondContact O-CD2 3.42Å; R143-F145 PolarHBondContact O-N 3.31Å
144	N	47	Very low	49.6	Very low	151 Å²	151	123.5 Å²	123.5	81%	0.807	64%	0.637	S	S	*	*			trans	-64.8	93.1	159.1	-85.5	-34.4	0	0	0	106.5	E142	E142-N144 PolarHBondContact O-N 2.77Å
145	F	52.5	Low	50.7	Low	95 Å²	95	127.2 Å²	127.2	42%	0.417	66%	0.657	S	S	.	*			trans	-70.2	129.5	167.4	-65.6	-78	0	0	0	107.1	R143 T149 M150	R143-F145 HydrophobicContact CB-CD2 4.12Å; R143-F145 HydrophobicContact CB-CE1 4.36Å; R143-F145 HydrophobicContact CB-CE2 3.71Å; R143-F145 HydrophobicContact CB-CZ 3.87Å; R143-F145 HydrophobicContact CG-CE1 4.38Å; R143-F145 HydrophobicContact CG-CZ 4.22Å; R143-F145 VanDerWaalsContact O-CD2 3.26Å; R143-F145 WeakPolarHBondContact O-CD2 3.42Å; R143-F145 PolarHBondContact O-N 3.31Å; F145-T149 HydrophobicContact CB-CG2 4.25Å; F145-T149 HydrophobicContact CD1-CG2 3.95Å; F145-T149 HydrophobicContact CG-CG2 4.44Å; F145-M150 HydrophobicContact CB-CG 4.17Å
146	D	54.2	Low	51.5	Low	126 Å²	126	127.9 Å²	127.9	67%	0.674	66%	0.66	S	S	*	*			trans	-56.3	148.2	175.9	-157.5	16.6	0	0	0	110	A148 T149 M150	D146-A148 PolarHBondContact O-N 3.5Å; D146-T149 WeakPolarHBondContact O-CA 3.37Å; D146-T149 WeakPolarHBondContact O-CB 3.44Å; D146-T149 PolarHBondContact O-N 3.41Å; D146-M150 PolarHBondContact O-N 3.49Å
147	D	59	Low	52.1	Low	121 Å²	121	126.7 Å²	126.7	65%	0.647	66%	0.661	S	S	*	*	H	α-helix	trans	-58.7	-30	-167.4	-161.9	43.3	0	0	0	112.2	T149 M150 K151	D147-T149 VanDerWaalsContact C-N 3.34Å; D147-T149 PolarHBondContact O-N 3.16Å; D147-M150 PolarHBondContact O-N 3.1Å; D147-K151 WeakPolarHBondContact O-CB 3.25Å; D147-K151 PolarHBondContact O-N 3.27Å; D147-K151 VanDerWaalsContact O-N 3.09Å
148	A	59.5	Low	53	Low	72 Å²	72	119.3 Å²	119.3	60%	0.595	64%	0.644	S	S	*	*	H	α-helix	trans	-62.9	-35	172.7	0	0	0	0	0	113.6	D146 A152	D146-A148 PolarHBondContact O-N 3.5Å; A148-A152 PolarHBondContact O-N 2.88Å; A148-A152 VanDerWaalsContact O-N 3.16Å
149	T	60.3	Low	54.1	Low	80 Å²	80	123.1 Å²	123.1	49%	0.491	66%	0.655	S	S	.	*	H	α-helix	trans	-77.7	-38.6	-179.6	-56.7	0	0	0	0	111.5	F145 D146 D147 K151 A152 G153	F145-T149 HydrophobicContact CB-CG2 4.25Å; F145-T149 HydrophobicContact CD1-CG2 3.95Å; F145-T149 HydrophobicContact CG-CG2 4.44Å; D146-T149 WeakPolarHBondContact O-CA 3.37Å; D146-T149 WeakPolarHBondContact O-CB 3.44Å; D146-T149 PolarHBondContact O-N 3.41Å; D147-T149 VanDerWaalsContact C-N 3.34Å; D147-T149 PolarHBondContact O-N 3.16Å; T149-K151 VanDerWaalsContact C-N 3.31Å; T149-K151 PolarHBondContact O-N 3.29Å; T149-A152 PolarHBondContact O-N 3.11Å; T149-G153 PolarHBondContact O-N 3.21Å
150	M	59.9	Low	54.8	Low	112 Å²	112	123.9 Å²	123.9	55%	0.552	66%	0.658	S	S	*	*	H	α-helix	trans	-64.8	-36.7	172.7	-88.4	-157.6	-85.2	0	0	112	F145 D146 D147 G153	F145-M150 HydrophobicContact CB-CG 4.17Å; D146-M150 PolarHBondContact O-N 3.49Å; D147-M150 PolarHBondContact O-N 3.1Å; M150-G153 PolarHBondContact O-N 3.3Å
151	K	62.4	Low	55.2	Low	147 Å²	147	124.5 Å²	124.5	64%	0.639	67%	0.666	S	S	*	*	H	α-helix	trans	-68.7	-36	177	-159.7	174.6	-174.7	-177.9	0	113	D147 T149 G153 Q154	D147-K151 WeakPolarHBondContact O-CB 3.25Å; D147-K151 PolarHBondContact O-N 3.27Å; D147-K151 VanDerWaalsContact O-N 3.09Å; T149-K151 VanDerWaalsContact C-N 3.31Å; T149-K151 PolarHBondContact O-N 3.29Å; K151-G153 VanDerWaalsContact C-N 3.28Å; K151-G153 PolarHBondContact O-N 3.42Å; K151-Q154 PolarHBondContact O-N 3.24Å
152	A	62.7	Low	55.9	Low	64 Å²	64	119.6 Å²	119.6	53%	0.529	66%	0.661	S	S	.	*	H	α-helix	trans	-65.4	-31.2	174.6	0	0	0	0	0	112.7	A148 T149 Q154 C155	A148-A152 PolarHBondContact O-N 2.88Å; A148-A152 VanDerWaalsContact O-N 3.16Å; T149-A152 PolarHBondContact O-N 3.11Å; A152-Q154 VanDerWaalsContact C-N 3.31Å; A152-Q154 PolarHBondContact O-N 3.36Å; A152-C155 PolarHBondContact O-N 3.43Å
153	G	58.9	Low	56.4	Low	44 Å²	44	119 Å²	119	45%	0.454	67%	0.666	S	S	.	*	H	α-helix	trans	-68.3	-23.6	176.2	0	0	0	0	0	114.5	T149 M150 K151 C155 V156	T149-G153 PolarHBondContact O-N 3.21Å; M150-G153 PolarHBondContact O-N 3.3Å; K151-G153 VanDerWaalsContact C-N 3.28Å; K151-G153 PolarHBondContact O-N 3.42Å; G153-C155 PolarHBondContact O-N 3.34Å; G153-V156 PolarHBondContact O-N 3.33Å
154	Q	58.1	Low	56.7	Low	160 Å²	160	116.9 Å²	116.9	75%	0.748	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-16.1	176.8	-67.4	178.6	-3.9	0	0	113.2	K151 A152	K151-Q154 PolarHBondContact O-N 3.24Å; A152-Q154 VanDerWaalsContact C-N 3.31Å; A152-Q154 PolarHBondContact O-N 3.36Å
155	C	57.2	Low	57	Low	111 Å²	111	119.1 Å²	119.1	75%	0.75	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-4.7	174.4	-78.1	0	0	0	0	113.7	A152 G153 I157	A152-C155 PolarHBondContact O-N 3.43Å; G153-C155 PolarHBondContact O-N 3.34Å; C155-I157 PolarHBondContact O-N 3.12Å
156	V	55.2	Low	57.1	Low	116 Å²	116	120.6 Å²	120.6	70%	0.703	69%	0.691	S	S	*	*			trans	-86.9	96.3	174.9	179.4	0	0	0	0	108.9	G153 G158	G153-V156 PolarHBondContact O-N 3.33Å; V156-G158 PolarHBondContact O-N 3.29Å; V156-G158 VanDerWaalsContact O-N 3.12Å
157	I	52.6	Low	57.2	Low	148 Å²	148	118 Å²	118	76%	0.759	69%	0.687	S	S	*	*			trans	-72.9	103.8	174.5	-59	171.2	0	0	0	107.9	C155	C155-I157 PolarHBondContact O-N 3.12Å
158	G	58.1	Low	57.3	Low	41 Å²	41	116.4 Å²	116.4	42%	0.423	69%	0.685	S	S	.	*			trans	-60	139.2	167.8	0	0	0	0	0	110.3	V156 Q160 M161	V156-G158 PolarHBondContact O-N 3.29Å; V156-G158 VanDerWaalsContact O-N 3.12Å; G158-Q160 PolarHBondContact O-N 3.25Å; G158-M161 PolarHBondContact O-N 2.72Å
159	L	58	Low	57.2	Low	194 Å²	194	120.8 Å²	120.8	100%	1.016	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	0.9	-174.8	-104.6	128	0	0	0	116.4
160	Q	55.8	Low	56.8	Low	186 Å²	186	122.1 Å²	122.1	87%	0.869	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.9	21.3	-170.3	-146.6	168.2	5.5	0	0	113.6	G158 G162	G158-Q160 PolarHBondContact O-N 3.25Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.25Å
161	M	51.6	Low	56.9	Low	173 Å²	173	120.2 Å²	120.2	85%	0.852	72%	0.715	S	S	*	*			trans	-90.4	65.9	168.4	-70.7	-69.3	-86.2	0	0	110.3	G158	G158-M161 PolarHBondContact O-N 2.72Å
162	G	54.3	Low	56.9	Low	68 Å²	68	120.6 Å²	120.6	70%	0.701	72%	0.721	S	S	*	*			trans	-122.6	116.1	170.8	0	0	0	0	0	109.7	Q160	Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.25Å
163	T	56.8	Low	57	Low	115 Å²	115	123.2 Å²	123.2	71%	0.706	73%	0.731	S	S	*	*			trans	-77.3	122.5	173.5	134.2	0	0	0	0	109.3	K165	T163-K165 PolarHBondContact O-N 3.24Å; T163-K165 WeakPolarHBondContact OG1-CB 3.47Å; T163-K165 PolarHBondContact OG1-N 2.86Å
164	N	56.3	Low	57.2	Low	130 Å²	130	124.8 Å²	124.8	70%	0.695	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-73.4	-1	175.7	-164.6	-44.6	0	0	0	112.5	C166 A167	N164-C166 PolarHBondContact O-N 3.26Å; N164-A167 PolarHBondContact O-N 3.04Å
165	K	52.9	Low	57.2	Low	198 Å²	198	129.1 Å²	129.1	86%	0.861	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-63.7	-5.8	-172.4	-66.6	-174.3	176.9	-179.2	0	115.5	T163	T163-K165 PolarHBondContact O-N 3.24Å; T163-K165 WeakPolarHBondContact OG1-CB 3.47Å; T163-K165 PolarHBondContact OG1-N 2.86Å
166	C	55.1	Low	57.6	Low	126 Å²	126	127.6 Å²	127.6	85%	0.851	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-124.8	6.2	174.4	-59.4	0	0	0	0	114.4	N164 S168	N164-C166 PolarHBondContact O-N 3.26Å; C166-S168 PolarHBondContact O-N 3.25Å
167	A	56.6	Low	57.7	Low	71 Å²	71	127.2 Å²	127.2	59%	0.587	75%	0.752	S	S	*	*			trans	-88.6	86.6	176.4	0	0	0	0	0	109.6	N164	N164-A167 PolarHBondContact O-N 3.04Å
168	S	61.7	Low	57.9	Low	88 Å²	88	131.9 Å²	131.9	62%	0.615	76%	0.76	S	S	*	*			trans	-79.1	140.9	170	77	0	0	0	0	110.3	C166 S170	C166-S168 PolarHBondContact O-N 3.25Å; S168-S170 PolarHBondContact O-N 3.03Å
169	Q	57	Low	57.7	Low	165 Å²	165	145.3 Å²	145.3	77%	0.771	80%	0.798	S	S	*	*			trans	-72.7	16.2	173.8	-160.5	-176.2	39.2	0	0	112.4	G171 M172	Q169-G171 PolarHBondContact O-N 3.13Å; Q169-G171 VanDerWaalsContact O-N 3.13Å; Q169-M172 HydrophobicContact CG-CB 4.35Å; Q169-M172 HydrophobicContact CG-CG 4.46Å; Q169-M172 HydrophobicContact CG-SD 4.18Å
170	S	52.5	Low	57.7	Low	107 Å²	107	142.9 Å²	142.9	75%	0.748	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	98.4	-179.2	-59.6	0	0	0	0	109.1	S168	S168-S170 PolarHBondContact O-N 3.03Å
171	G	62.1	Low	57.8	Low	72 Å²	72	140.6 Å²	140.6	74%	0.742	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.6	-3	177.3	0	0	0	0	0	115.3	Q169 T173	Q169-G171 PolarHBondContact O-N 3.13Å; Q169-G171 VanDerWaalsContact O-N 3.13Å; G171-T173 PolarHBondContact O-N 3.14Å; G171-T173 VanDerWaalsContact O-N 3.14Å
172	M	61.6	Low	58.2	Low	155 Å²	155	138.8 Å²	138.8	76%	0.764	78%	0.779	S	S	*	*			trans	-75.2	103.2	172.9	-69.2	-169.7	74	0	0	110.2	Q169	Q169-M172 HydrophobicContact CG-CB 4.35Å; Q169-M172 HydrophobicContact CG-CG 4.46Å; Q169-M172 HydrophobicContact CG-SD 4.18Å
173	T	64.4	Low	58.4	Low	120 Å²	120	142.9 Å²	142.9	74%	0.736	78%	0.783	S	S	*	*			trans	-79.4	122.8	167.9	7.2	0	0	0	0	108.8	G171 Y175	G171-T173 PolarHBondContact O-N 3.14Å; G171-T173 VanDerWaalsContact O-N 3.14Å; T173-Y175 PolarHBondContact O-N 3.43Å
174	A	63.2	Low	58.5	Low	77 Å²	77	144.7 Å²	144.7	64%	0.636	79%	0.788	S	S	*	*			trans	-64.5	130.6	175.5	0	0	0	0	0	110	G176 T177	A174-G176 PolarHBondContact O-N 3.47Å; A174-T177 PolarHBondContact O-N 3.26Å; A174-T177 PolarHBondContact O-OG1 3.5Å
175	Y	58.5	Low	58.6	Low	251 Å²	251	145.7 Å²	145.7	98%	0.984	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	110.6	173.7	-90.3	-91.6	0	0	0	109.6	T173	T173-Y175 PolarHBondContact O-N 3.43Å
176	G	65.9	Low	59	Low	78 Å²	78	141.9 Å²	141.9	80%	0.804	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	133.5	-7.7	176.4	0	0	0	0	0	116.3	A174 R178	A174-G176 PolarHBondContact O-N 3.47Å; G176-R178 PolarHBondContact O-N 3Å
177	T	57.7	Low	59.4	Low	109 Å²	109	143.2 Å²	143.2	67%	0.669	79%	0.785	S	S	*	*			trans	-85.5	112.7	172.9	33.4	0	0	0	0	110.6	A174	A174-T177 PolarHBondContact O-N 3.26Å; A174-T177 PolarHBondContact O-OG1 3.5Å
178	R	55.4	Low	59.6	Low	246 Å²	246	149.2 Å²	149.2	93%	0.928	80%	0.801	S	S	*	*			trans	-71	146.5	167.6	-75.4	-173.3	177.3	-167.8	-0.4	109.3	G176	G176-R178 PolarHBondContact O-N 3Å
179	R	55.1	Low	59.4	Low	322 Å²	322	154.7 Å²	154.7	100%	1.215	82%	0.818	S	S	*	*			trans	-63.6	0	176.2	-50.8	-179.6	-171	177.2	2.2	111.3

Retrieved 179 of 179 residues in 197.1 ms (Link to these results)

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