A0A3Q0KLB7_SCHMA Loading...

HMG box domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 189 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	33.6	Very low	43.6	Very low	241 Å²	241	139.5 Å²	139.5	100%	1.187	68%	0.683	S	S	*	*				0	111.4	0	-63.4	-173.3	-163.3	0	0	108.4	L3	M1-L3 PolarHBondContact O-N 3.1Å
2	Q	28.5	Very low	45.2	Very low	197 Å²	197	133.7 Å²	133.7	92%	0.921	65%	0.652	S	S	*	*			trans	-74.9	107.5	172.3	-71.9	176.8	-5.2	0	0	107	P4	Q2-P4 WeakPolarHBondContact O-CD 3.42Å
3	L	35.9	Very low	46.9	Very low	132 Å²	132	130.4 Å²	130.4	69%	0.691	64%	0.638	S	S	*	*			trans	-56.2	122.4	169.6	-79	163	0	0	0	107	M1 L5	M1-L3 PolarHBondContact O-N 3.1Å; L3-L5 PolarHBondContact O-N 3.1Å
4	P	33.9	Very low	48.3	Very low	89 Å²	89	123.2 Å²	123.2	58%	0.578	60%	0.603	S	S	*	*			trans	-58.2	121.9	178.3	21.8	-29.7	0	0	0	107.2	Q2 F6	Q2-P4 WeakPolarHBondContact O-CD 3.42Å; P4-F6 HydrophobicContact CB-CD2 3.66Å; P4-F6 HydrophobicContact CB-CE2 3.7Å; P4-F6 HydrophobicContact CG-CD2 3.68Å; P4-F6 HydrophobicContact CG-CE2 3.66Å; P4-F6 PolarHBondContact O-N 3.28Å
5	L	31.4	Very low	49.4	Very low	169 Å²	169	115.9 Å²	115.9	89%	0.885	57%	0.568	S	S	*	*			trans	-67.1	61.9	171.9	-70.9	164.6	0	0	0	108.3	L3 R7	L3-L5 PolarHBondContact O-N 3.1Å; L5-R7 PolarHBondContact O-N 3.22Å
6	F	42.4	Very low	50.3	Low	165 Å²	165	119.3 Å²	119.3	72%	0.724	57%	0.572	S	S	*	*			trans	-57.5	132.5	168.5	-89.6	-78.2	0	0	0	106.9	P4 I8	P4-F6 HydrophobicContact CB-CD2 3.66Å; P4-F6 HydrophobicContact CB-CE2 3.7Å; P4-F6 HydrophobicContact CG-CD2 3.68Å; P4-F6 HydrophobicContact CG-CE2 3.66Å; P4-F6 PolarHBondContact O-N 3.28Å; F6-I8 VanDerWaalsContact C-N 3.31Å; F6-I8 PolarHBondContact O-N 2.9Å
7	R	41.8	Very low	51.2	Low	199 Å²	199	120.4 Å²	120.4	75%	0.751	58%	0.576	S	S	*	*			trans	-49.8	97	-178.1	-65.4	-172.1	-179.3	-167.9	1.6	108.9	L5 N9 N10	L5-R7 PolarHBondContact O-N 3.22Å; R7-N9 PolarHBondContact O-N 3.37Å; R7-N10 PolarHBondContact O-N 3.03Å
8	I	49.1	Very low	51.7	Low	114 Å²	114	116.1 Å²	116.1	59%	0.585	56%	0.557	S	S	*	*	H	α-helix	trans	-49.1	-27.6	174.8	-67.9	166	0	0	0	109.9	F6 N10 F11 F12	F6-I8 VanDerWaalsContact C-N 3.31Å; F6-I8 PolarHBondContact O-N 2.9Å; I8-N10 PolarHBondContact O-N 3.2Å; I8-F11 PolarHBondContact O-N 3.42Å; I8-F12 HydrophobicContact CG2-CD2 3.83Å; I8-F12 HydrophobicContact CG2-CE2 3.46Å; I8-F12 VanDerWaalsContact CG2-CE2 3.46Å; I8-F12 VanDerWaalsContact O-CD2 3.27Å; I8-F12 WeakPolarHBondContact O-CD2 3.27Å
9	N	51.3	Low	52.1	Low	118 Å²	118	111.6 Å²	111.6	63%	0.631	54%	0.538	S	S	*	.	H	α-helix	trans	-55.5	-39.9	172.1	-69.3	3.1	0	0	0	114	R7 I13	R7-N9 PolarHBondContact O-N 3.37Å; N9-I13 VanDerWaalsContact O-CD1 3.29Å; N9-I13 WeakPolarHBondContact O-CD1 3.34Å; N9-I13 WeakPolarHBondContact O-CG1 3.47Å; N9-I13 PolarHBondContact O-N 2.98Å
10	N	64.4	Low	52	Low	87 Å²	87	112.4 Å²	112.4	47%	0.465	56%	0.555	S	S	.	*	H	α-helix	trans	-70.6	-37.8	-176.9	-79.7	9.4	0	0	0	112.6	R7 I8 I13 I14	R7-N10 PolarHBondContact O-N 3.03Å; I8-N10 PolarHBondContact O-N 3.2Å; N10-I13 PolarHBondContact O-N 2.97Å; N10-I14 VanDerWaalsContact O-CG1 3.28Å; N10-I14 WeakPolarHBondContact O-CG1 3.33Å; N10-I14 PolarHBondContact O-N 2.9Å
11	F	67	Low	51.7	Low	23 Å²	23	109.2 Å²	109.2	10%	0.101	54%	0.544	C	S	.	.	H	α-helix	trans	-60.2	-49	178.6	174.3	-94.9	0	0	0	111.3	I8 I13 I14 L15 I34 H35 F38 I54	I8-F11 PolarHBondContact O-N 3.42Å; F11-I13 PolarHBondContact O-N 3.07Å; F11-I14 PolarHBondContact O-N 2.88Å; F11-L15 HydrophobicContact CE1-CD2 3.94Å; F11-L15 HydrophobicContact CZ-CD1 4.45Å; F11-L15 HydrophobicContact CZ-CD2 4.33Å; F11-L15 VanDerWaalsContact O-CB 3.3Å; F11-L15 WeakPolarHBondContact O-CB 3.25Å; F11-L15 PolarHBondContact O-N 2.99Å; F11-I34 HydrophobicContact CE2-CG2 3.82Å; F11-I34 HydrophobicContact CZ-CB 4.27Å; F11-I34 HydrophobicContact CZ-CG2 3.65Å; F11-H35 HydrophobicContact CZ-CB 4.41Å; F11-F38 HydrophobicContact CD2-CD1 4.49Å; F11-F38 AromaticContact CD2-CD2 4Å; F11-F38 HydrophobicContact CD2-CD2 4Å; F11-F38 HydrophobicContact CD2-CE2 4.09Å; F11-F38 HydrophobicContact CD2-CG 4.21Å; F11-F38 HydrophobicContact CD2-CZ 4.37Å; F11-F38 HydrophobicContact CE2-CB 4.2Å; F11-F38 AromaticContact CE2-CD2 3.66Å; F11-F38 HydrophobicContact CE2-CD2 3.66Å; F11-F38 HydrophobicContact CE2-CE2 4.17Å; F11-F38 AromaticContact CE2-CG 3.87Å; F11-F38 HydrophobicContact CE2-CG 3.87Å; F11-I54 HydrophobicContact CD2-CD1 3.78Å; F11-I54 HydrophobicContact CD2-CG1 4.33Å; F11-I54 HydrophobicContact CE2-CD1 3.85Å; F11-I54 HydrophobicContact CE2-CG1 3.96Å
12	F	63.5	Low	52.1	Low	70 Å²	70	103.6 Å²	103.6	31%	0.307	53%	0.528	S	S	.	.	H	α-helix	trans	-70	-31.9	-178.2	-69.4	-66.1	0	0	0	113.1	I8 L15 R16 N26	I8-F12 HydrophobicContact CG2-CD2 3.83Å; I8-F12 HydrophobicContact CG2-CE2 3.46Å; I8-F12 VanDerWaalsContact CG2-CE2 3.46Å; I8-F12 VanDerWaalsContact O-CD2 3.27Å; I8-F12 WeakPolarHBondContact O-CD2 3.27Å; F12-L15 HydrophobicContact CD1-CD2 4.46Å; F12-R16 VanDerWaalsContact O-CB 3.31Å; F12-R16 WeakPolarHBondContact O-CB 3.35Å; F12-R16 PolarHBondContact O-N 3.47Å; F12-N26 WeakPolarHBondContact CE1-OD1 3.47Å
13	I	67.3	Low	52.6	Low	91 Å²	91	96.2 Å²	96.2	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-48.3	173.2	-69.2	165.8	0	0	0	110.1	N9 N10 F11 R16 Q17	N9-I13 VanDerWaalsContact O-CD1 3.29Å; N9-I13 WeakPolarHBondContact O-CD1 3.34Å; N9-I13 WeakPolarHBondContact O-CG1 3.47Å; N9-I13 PolarHBondContact O-N 2.98Å; N10-I13 PolarHBondContact O-N 2.97Å; F11-I13 PolarHBondContact O-N 3.07Å; I13-R16 PolarHBondContact O-N 3.32Å; I13-Q17 WeakPolarHBondContact O-CG 3.35Å; I13-Q17 PolarHBondContact O-N 2.94Å; I13-Q17 VanDerWaalsContact O-N 3.15Å
14	I	66.2	Low	52.7	Low	30 Å²	30	97.4 Å²	97.4	15%	0.154	50%	0.503	C	S	.	.	H	α-helix	trans	-65.9	-43.3	179	-65.4	166.9	0	0	0	110.9	N10 F11 R16 Q17 I18 N50 F51 I54	N10-I14 VanDerWaalsContact O-CG1 3.28Å; N10-I14 WeakPolarHBondContact O-CG1 3.33Å; N10-I14 PolarHBondContact O-N 2.9Å; F11-I14 PolarHBondContact O-N 2.88Å; I14-R16 VanDerWaalsContact C-N 3.32Å; I14-R16 PolarHBondContact O-N 3.21Å; I14-Q17 PolarHBondContact O-N 3.23Å; I14-Q17 VanDerWaalsContact O-N 3.16Å; I14-I18 HydrophobicContact CG2-CD1 3.63Å; I14-I18 HydrophobicContact CG2-CG1 4.4Å; I14-I18 WeakPolarHBondContact O-CG1 3.45Å; I14-I18 PolarHBondContact O-N 2.92Å; I14-N50 HydrophobicContact CD1-CB 4.2Å; I14-F51 HydrophobicContact CG2-CB 4.33Å; I14-F51 HydrophobicContact CG2-CD2 4.01Å; I14-I54 HydrophobicContact CB-CD1 4.05Å; I14-I54 HydrophobicContact CG2-CD1 3.61Å
15	L	64	Low	53.3	Low	13 Å²	13	98 Å²	98	7%	0.068	50%	0.501	C	S	.	.	H	α-helix	trans	-57.2	-46.6	177.2	-167.2	69.2	0	0	0	111.3	F11 F12 Q17 I18 T19 F30 A31 I34 I54	F11-L15 HydrophobicContact CE1-CD2 3.94Å; F11-L15 HydrophobicContact CZ-CD1 4.45Å; F11-L15 HydrophobicContact CZ-CD2 4.33Å; F11-L15 VanDerWaalsContact O-CB 3.3Å; F11-L15 WeakPolarHBondContact O-CB 3.25Å; F11-L15 PolarHBondContact O-N 2.99Å; F12-L15 HydrophobicContact CD1-CD2 4.46Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-Q17 PolarHBondContact O-N 3.17Å; L15-I18 PolarHBondContact O-N 3.16Å; L15-T19 HydrophobicContact CD1-CG2 4.4Å; L15-T19 WeakPolarHBondContact O-CG2 3.39Å; L15-T19 PolarHBondContact O-N 3.1Å; L15-T19 PolarHBondContact O-OG1 2.96Å; L15-T19 VanDerWaalsContact O-OG1 3.09Å; L15-F30 HydrophobicContact CD1-CD1 4.4Å; L15-F30 HydrophobicContact CD1-CE1 3.58Å; L15-F30 HydrophobicContact CD1-CZ 4.42Å; L15-F30 HydrophobicContact CG-CE1 4.33Å; L15-A31 HydrophobicContact CD2-CB 4.06Å; L15-I34 HydrophobicContact CD1-CB 4.36Å; L15-I34 HydrophobicContact CD1-CG1 4.14Å; L15-I34 HydrophobicContact CD1-CG2 4.17Å; L15-I54 HydrophobicContact CD1-CG2 3.67Å
16	R	63.8	Low	54.1	Low	170 Å²	170	94.3 Å²	94.3	64%	0.642	48%	0.482	S	S	*	.	H	α-helix	trans	-59.6	-40.7	176.8	174.6	-177.1	153.5	174.4	-4.3	112.3	F12 I13 I14 I18	F12-R16 VanDerWaalsContact O-CB 3.31Å; F12-R16 WeakPolarHBondContact O-CB 3.35Å; F12-R16 PolarHBondContact O-N 3.47Å; I13-R16 PolarHBondContact O-N 3.32Å; I14-R16 VanDerWaalsContact C-N 3.32Å; I14-R16 PolarHBondContact O-N 3.21Å; R16-I18 VanDerWaalsContact C-N 3.35Å
17	Q	66.2	Low	54.7	Low	138 Å²	138	89.4 Å²	89.4	65%	0.645	46%	0.464	S	S	*	.	H	α-helix	trans	-66	-38.3	178.2	-73.8	175.5	-19.6	0	0	111.9	I13 I14 L15	I13-Q17 WeakPolarHBondContact O-CG 3.35Å; I13-Q17 PolarHBondContact O-N 2.94Å; I13-Q17 VanDerWaalsContact O-N 3.15Å; I14-Q17 PolarHBondContact O-N 3.23Å; I14-Q17 VanDerWaalsContact O-N 3.16Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-Q17 PolarHBondContact O-N 3.17Å
18	I	60.6	Low	56.3	Low	44 Å²	44	83.2 Å²	83.2	23%	0.226	45%	0.445	C	S	.	.	H	α-helix	trans	-76.5	-35	-176.4	-67.3	168.1	0	0	0	112.2	I14 L15 R16 F51 I54 A58	I14-I18 HydrophobicContact CG2-CD1 3.63Å; I14-I18 HydrophobicContact CG2-CG1 4.4Å; I14-I18 WeakPolarHBondContact O-CG1 3.45Å; I14-I18 PolarHBondContact O-N 2.92Å; L15-I18 PolarHBondContact O-N 3.16Å; R16-I18 VanDerWaalsContact C-N 3.35Å; I18-F51 HydrophobicContact CD1-CD2 3.69Å; I18-F51 HydrophobicContact CD1-CE2 3.78Å; I18-F51 HydrophobicContact CD1-CG 4.41Å; I18-F51 HydrophobicContact CG1-CD2 3.95Å; I18-F51 HydrophobicContact CG1-CE2 3.55Å; I18-F51 HydrophobicContact CG1-CZ 4.36Å; I18-I54 HydrophobicContact CD1-CB 3.72Å; I18-I54 HydrophobicContact CD1-CG2 3.45Å; I18-I54 VanDerWaalsContact CD1-CG2 3.45Å; I18-A58 HydrophobicContact CG2-CB 4.45Å
19	T	58.9	Low	58.1	Low	31 Å²	31	77.9 Å²	77.9	19%	0.19	42%	0.419	C	S	.	.	H	α-helix	trans	-92.8	-3	-168.8	59.8	0	0	0	0	115.6	L15 S21 F30	L15-T19 HydrophobicContact CD1-CG2 4.4Å; L15-T19 WeakPolarHBondContact O-CG2 3.39Å; L15-T19 PolarHBondContact O-N 3.1Å; L15-T19 PolarHBondContact O-OG1 2.96Å; L15-T19 VanDerWaalsContact O-OG1 3.09Å; T19-S21 WeakPolarHBondContact CB-OG 3.4Å; T19-S21 WeakPolarHBondContact O-CB 3.35Å; T19-S21 PolarHBondContact O-N 2.98Å; T19-S21 PolarHBondContact O-OG 2.98Å; T19-S21 PolarHBondContact OG1-OG 2.96Å; T19-F30 HydrophobicContact CG2-CD1 3.82Å; T19-F30 HydrophobicContact CG2-CE1 3.09Å; T19-F30 HydrophobicContact CG2-CZ 3.53Å
20	S	50.7	Low	59.9	Low	126 Å²	126	73.4 Å²	73.4	88%	0.881	39%	0.393	S	S	*	.			trans	42.8	14.9	-174.3	71.2	0	0	0	0	115.4
21	S	45.3	Very low	60.9	Low	46 Å²	46	69.8 Å²	69.8	32%	0.322	38%	0.375	S	S	.	.	S	Bend	trans	-102.3	137.7	-175.1	57.2	0	0	0	0	107.8	T19 A23	T19-S21 WeakPolarHBondContact CB-OG 3.4Å; T19-S21 WeakPolarHBondContact O-CB 3.35Å; T19-S21 PolarHBondContact O-N 2.98Å; T19-S21 PolarHBondContact O-OG 2.98Å; T19-S21 PolarHBondContact OG1-OG 2.96Å; S21-A23 PolarHBondContact O-N 3.43Å
22	S	41.6	Very low	61.9	Low	123 Å²	123	71.5 Å²	71.5	86%	0.86	39%	0.39	S	S	*	.			trans	-69.8	53.6	171.6	65	0	0	0	0	110.4	H24	S22-H24 PolarHBondContact O-N 3.45Å
23	A	38.7	Very low	63.2	Low	42 Å²	42	68.4 Å²	68.4	35%	0.347	38%	0.377	S	S	.	.			trans	-86.3	65.3	-176.7	0	0	0	0	0	109.8	S21 N25	S21-A23 PolarHBondContact O-N 3.43Å; A23-N25 PolarHBondContact O-N 2.7Å
24	H	39.2	Very low	64.3	Low	158 Å²	158	64.1 Å²	64.1	73%	0.731	36%	0.355	S	S	*	.			trans	-64.3	-5.7	149.6	-73.2	-27.4	0	0	0	111.7	S22 N26	S22-H24 PolarHBondContact O-N 3.45Å; H24-N26 PolarHBondContact O-N 3.19Å
25	N	45.2	Very low	65.3	Low	102 Å²	102	68.4 Å²	68.4	55%	0.545	37%	0.374	S	S	.	.			trans	-83.4	88.3	167.9	-65.3	-29	0	0	0	110	A23 N27 N28	A23-N25 PolarHBondContact O-N 2.7Å; N25-N27 PolarHBondContact O-N 3.16Å; N25-N28 PolarHBondContact O-N 3.47Å
26	N	49.6	Very low	66.5	Low	90 Å²	90	71 Å²	71	48%	0.481	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	1	162.4	-70.6	-28.4	0	0	0	114	F12 H24	F12-N26 WeakPolarHBondContact CE1-OD1 3.47Å; H24-N26 PolarHBondContact O-N 3.19Å
27	N	54.1	Low	67.8	Low	63 Å²	63	67.1 Å²	67.1	34%	0.337	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	24.7	-173.6	-59.5	-26.6	0	0	0	112.3	N25 Q80	N25-N27 PolarHBondContact O-N 3.16Å; N27-Q80 HydrophobicContact CB-CB 4.17Å; N27-Q80 HydrophobicContact CB-CG 4.16Å
28	N	76.1	Confident	69	Low	68 Å²	68	62.2 Å²	62.2	36%	0.364	36%	0.355	S	S	.	.			trans	-87.1	139.2	172.5	-171.3	-2	0	0	0	109.8	N25 F30 A31 S32	N25-N28 PolarHBondContact O-N 3.47Å; N28-F30 PolarHBondContact O-N 3.36Å; N28-F30 VanDerWaalsContact O-N 3.13Å; N28-A31 WeakPolarHBondContact O-CB 3.27Å; N28-A31 PolarHBondContact O-N 3.22Å; N28-S32 PolarHBondContact O-N 2.97Å
29	A	86.7	Confident	70.4	Confident	3 Å²	3	65.6 Å²	65.6	3%	0.025	37%	0.37	C	S	.	.	H	α-helix	trans	-46.2	-40.9	174.1	0	0	0	0	0	113.1	S32 F33 L72 K73 A76	A29-S32 PolarHBondContact O-N 3.18Å; A29-F33 VanDerWaalsContact O-CB 3.28Å; A29-F33 WeakPolarHBondContact O-CB 3.45Å; A29-F33 PolarHBondContact O-N 2.96Å; A29-L72 HydrophobicContact CB-CB 4.01Å; A29-L72 WeakPolarHBondContact CB-O 3.41Å; A29-K73 HydrophobicContact CB-CB 4.45Å; A29-K73 HydrophobicContact CB-CG 3.97Å; A29-A76 HydrophobicContact CB-CB 4.01Å
30	F	88.3	Confident	72	Confident	23 Å²	23	70.8 Å²	70.8	10%	0.101	39%	0.392	C	S	.	.	H	α-helix	trans	-56.6	-53	173.1	179.3	-93.4	0	0	0	112.3	L15 T19 N28 S32 F33 I34 A58 Y61	L15-F30 HydrophobicContact CD1-CD1 4.4Å; L15-F30 HydrophobicContact CD1-CE1 3.58Å; L15-F30 HydrophobicContact CD1-CZ 4.42Å; L15-F30 HydrophobicContact CG-CE1 4.33Å; T19-F30 HydrophobicContact CG2-CD1 3.82Å; T19-F30 HydrophobicContact CG2-CE1 3.09Å; T19-F30 HydrophobicContact CG2-CZ 3.53Å; N28-F30 PolarHBondContact O-N 3.36Å; N28-F30 VanDerWaalsContact O-N 3.13Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 3.02Å; F30-F33 WeakPolarHBondContact O-CB 3.48Å; F30-F33 PolarHBondContact O-N 3Å; F30-F33 VanDerWaalsContact O-N 3.15Å; F30-I34 HydrophobicContact CD1-CG1 4.05Å; F30-I34 HydrophobicContact CD2-CG1 4.44Å; F30-I34 HydrophobicContact CE1-CD1 4.21Å; F30-I34 HydrophobicContact CE1-CG1 3.56Å; F30-I34 HydrophobicContact CE2-CD1 3.91Å; F30-I34 HydrophobicContact CE2-CG1 4.05Å; F30-I34 HydrophobicContact CG-CG1 4.45Å; F30-I34 HydrophobicContact CZ-CD1 3.69Å; F30-I34 HydrophobicContact CZ-CG1 3.58Å; F30-I34 WeakPolarHBondContact O-CG1 3.39Å; F30-I34 PolarHBondContact O-N 2.85Å; F30-A58 HydrophobicContact CE2-CB 3.88Å; F30-A58 HydrophobicContact CZ-CB 3.67Å; F30-Y61 HydrophobicContact CB-CE1 4.17Å; F30-Y61 HydrophobicContact CB-CE2 4.49Å; F30-Y61 AromaticContact CD2-CD1 3.47Å; F30-Y61 HydrophobicContact CD2-CD1 3.47Å; F30-Y61 VanDerWaalsContact CD2-CD1 3.47Å; F30-Y61 HydrophobicContact CD2-CD2 4.29Å; F30-Y61 AromaticContact CD2-CE1 3.89Å; F30-Y61 HydrophobicContact CD2-CE1 3.89Å; F30-Y61 AromaticContact CD2-CG 3.66Å; F30-Y61 HydrophobicContact CD2-CG 3.66Å; F30-Y61 HydrophobicContact CE2-CD1 4.15Å; F30-Y61 HydrophobicContact CE2-CG 4.21Å; F30-Y61 HydrophobicContact CG-CD1 4.5Å
31	A	86.9	Confident	73.8	Confident	11 Å²	11	66.8 Å²	66.8	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-40.8	-178	0	0	0	0	0	111.4	L15 N28 H35	L15-A31 HydrophobicContact CD2-CB 4.06Å; N28-A31 WeakPolarHBondContact O-CB 3.27Å; N28-A31 PolarHBondContact O-N 3.22Å; A31-H35 WeakPolarHBondContact O-CB 3.43Å; A31-H35 PolarHBondContact O-N 3.48Å
32	S	87.5	Confident	76	Confident	59 Å²	59	67.2 Å²	67.2	41%	0.413	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-44.4	173.5	-62.8	0	0	0	0	111.9	N28 A29 F30 H35 S36	N28-S32 PolarHBondContact O-N 2.97Å; A29-S32 PolarHBondContact O-N 3.18Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 3.02Å; S32-H35 PolarHBondContact O-N 3.36Å; S32-S36 WeakPolarHBondContact O-CB 3.49Å; S32-S36 PolarHBondContact O-N 2.95Å; S32-S36 PolarHBondContact O-OG 2.94Å
33	F	90.7	Very high	78.4	Confident	6 Å²	6	64.7 Å²	64.7	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-62.7	-47.1	178.3	175.7	-86.6	0	0	0	112.4	A29 F30 S36 R37 L57 L60 Y61 L64 L72	A29-F33 VanDerWaalsContact O-CB 3.28Å; A29-F33 WeakPolarHBondContact O-CB 3.45Å; A29-F33 PolarHBondContact O-N 2.96Å; F30-F33 WeakPolarHBondContact O-CB 3.48Å; F30-F33 PolarHBondContact O-N 3Å; F30-F33 VanDerWaalsContact O-N 3.15Å; F33-S36 PolarHBondContact O-OG 3.11Å; F33-S36 VanDerWaalsContact O-OG 3.09Å; F33-R37 PolarHBondContact O-N 3.3Å; F33-L57 WeakPolarHBondContact CE1-O 3.28Å; F33-L60 HydrophobicContact CE1-CB 4.47Å; F33-L60 HydrophobicContact CZ-CB 4.4Å; F33-Y61 HydrophobicContact CB-CD2 3.81Å; F33-Y61 HydrophobicContact CB-CE2 4.13Å; F33-Y61 AromaticContact CD1-CD2 3.75Å; F33-Y61 HydrophobicContact CD1-CD2 3.75Å; F33-Y61 HydrophobicContact CD1-CG 4.25Å; F33-Y61 HydrophobicContact CD2-CD2 4Å; F33-Y61 HydrophobicContact CE1-CD2 4.32Å; F33-Y61 AromaticContact CG-CD2 3.59Å; F33-Y61 HydrophobicContact CG-CD2 3.59Å; F33-Y61 HydrophobicContact CG-CE2 4.32Å; F33-L64 HydrophobicContact CD2-CD1 4.06Å; F33-L64 HydrophobicContact CE2-CD1 3.62Å; F33-L64 HydrophobicContact CE2-CD2 4.43Å; F33-L64 HydrophobicContact CE2-CG 4.47Å; F33-L64 HydrophobicContact CZ-CD1 4.15Å; F33-L72 HydrophobicContact CD2-CD1 3.84Å
34	I	91.1	Very high	80.9	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-64	-48	177.1	-56.7	-61	0	0	0	109.2	F11 L15 F30 S36 R37 F38 I54 L57 A58	F11-I34 HydrophobicContact CE2-CG2 3.82Å; F11-I34 HydrophobicContact CZ-CB 4.27Å; F11-I34 HydrophobicContact CZ-CG2 3.65Å; L15-I34 HydrophobicContact CD1-CB 4.36Å; L15-I34 HydrophobicContact CD1-CG1 4.14Å; L15-I34 HydrophobicContact CD1-CG2 4.17Å; F30-I34 HydrophobicContact CD1-CG1 4.05Å; F30-I34 HydrophobicContact CD2-CG1 4.44Å; F30-I34 HydrophobicContact CE1-CD1 4.21Å; F30-I34 HydrophobicContact CE1-CG1 3.56Å; F30-I34 HydrophobicContact CE2-CD1 3.91Å; F30-I34 HydrophobicContact CE2-CG1 4.05Å; F30-I34 HydrophobicContact CG-CG1 4.45Å; F30-I34 HydrophobicContact CZ-CD1 3.69Å; F30-I34 HydrophobicContact CZ-CG1 3.58Å; F30-I34 WeakPolarHBondContact O-CG1 3.39Å; F30-I34 PolarHBondContact O-N 2.85Å; I34-S36 PolarHBondContact O-N 3.37Å; I34-R37 PolarHBondContact O-N 2.96Å; I34-F38 WeakPolarHBondContact O-CA 3.26Å; I34-F38 WeakPolarHBondContact O-CB 3.5Å; I34-F38 PolarHBondContact O-N 3.16Å; I34-I54 HydrophobicContact CG2-CG1 4.16Å; I34-I54 HydrophobicContact CG2-CG2 4.25Å; I34-L57 HydrophobicContact CD1-CB 3.36Å; I34-L57 HydrophobicContact CG2-CB 4.41Å; I34-L57 HydrophobicContact CG2-CD1 4.04Å; I34-A58 HydrophobicContact CD1-CB 4.48Å
35	H	87.2	Confident	83.4	Confident	120 Å²	120	63.2 Å²	63.2	56%	0.556	34%	0.336	S	S	*	.	H	α-helix	trans	-62.4	-40.9	-175.8	-172.6	65.5	0	0	0	112.6	F11 A31 S32 R37	F11-H35 HydrophobicContact CZ-CB 4.41Å; A31-H35 WeakPolarHBondContact O-CB 3.43Å; A31-H35 PolarHBondContact O-N 3.48Å; S32-H35 PolarHBondContact O-N 3.36Å; H35-R37 VanDerWaalsContact C-N 3.34Å; H35-R37 PolarHBondContact O-N 3.07Å
36	S	88.4	Confident	85.5	Confident	69 Å²	69	62.6 Å²	62.6	48%	0.483	34%	0.337	S	S	.	.	H	α-helix	trans	-66.1	-35	179.8	63.3	0	0	0	0	112.9	S32 F33 I34	S32-S36 WeakPolarHBondContact O-CB 3.49Å; S32-S36 PolarHBondContact O-N 2.95Å; S32-S36 PolarHBondContact O-OG 2.94Å; F33-S36 PolarHBondContact O-OG 3.11Å; F33-S36 VanDerWaalsContact O-OG 3.09Å; I34-S36 PolarHBondContact O-N 3.37Å
37	R	92	Very high	87.5	Confident	87 Å²	87	64.8 Å²	64.8	33%	0.328	35%	0.345	S	S	.	.	H	α-helix	trans	-96.1	-11.8	-177.9	-69.1	172.8	171.2	81.4	-8.4	114.1	F33 I34 H35 H39 E40 F41 L57	F33-R37 PolarHBondContact O-N 3.3Å; I34-R37 PolarHBondContact O-N 2.96Å; H35-R37 VanDerWaalsContact C-N 3.34Å; H35-R37 PolarHBondContact O-N 3.07Å; R37-H39 PolarHBondContact O-N 2.93Å; R37-E40 PolarHBondContact O-N 3.34Å; R37-F41 VanDerWaalsContact O-CB 3.28Å; R37-F41 WeakPolarHBondContact O-CB 3.32Å; R37-F41 PolarHBondContact O-N 3Å; R37-L57 HydrophobicContact CB-CD1 4.39Å; R37-L57 HydrophobicContact CB-CD2 3.71Å
38	F	91.1	Very high	89.1	Confident	36 Å²	36	62.9 Å²	62.9	16%	0.158	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-48.9	-172.8	179.9	-94.3	0	0	0	112.5	F11 I34 F41 K42 N50 V53 I54 L57	F11-F38 HydrophobicContact CD2-CD1 4.49Å; F11-F38 AromaticContact CD2-CD2 4Å; F11-F38 HydrophobicContact CD2-CD2 4Å; F11-F38 HydrophobicContact CD2-CE2 4.09Å; F11-F38 HydrophobicContact CD2-CG 4.21Å; F11-F38 HydrophobicContact CD2-CZ 4.37Å; F11-F38 HydrophobicContact CE2-CB 4.2Å; F11-F38 AromaticContact CE2-CD2 3.66Å; F11-F38 HydrophobicContact CE2-CD2 3.66Å; F11-F38 HydrophobicContact CE2-CE2 4.17Å; F11-F38 AromaticContact CE2-CG 3.87Å; F11-F38 HydrophobicContact CE2-CG 3.87Å; I34-F38 WeakPolarHBondContact O-CA 3.26Å; I34-F38 WeakPolarHBondContact O-CB 3.5Å; I34-F38 PolarHBondContact O-N 3.16Å; F38-F41 PolarHBondContact O-N 3.44Å; F38-K42 HydrophobicContact CE1-CB 4.44Å; F38-K42 WeakPolarHBondContact O-CB 3.49Å; F38-K42 PolarHBondContact O-N 3.15Å; F38-N50 HydrophobicContact CE2-CB 4.36Å; F38-N50 HydrophobicContact CZ-CB 4.08Å; F38-V53 HydrophobicContact CD2-CB 4.44Å; F38-V53 HydrophobicContact CD2-CG1 3.59Å; F38-V53 HydrophobicContact CE2-CB 4.07Å; F38-V53 HydrophobicContact CE2-CG1 3.69Å; F38-V53 HydrophobicContact CG-CG1 4.46Å; F38-I54 HydrophobicContact CD2-CG1 3.93Å; F38-I54 HydrophobicContact CE2-CD1 4.18Å; F38-I54 HydrophobicContact CE2-CG1 3.82Å; F38-L57 HydrophobicContact CB-CD1 4.35Å
39	H	90.3	Very high	89.8	Confident	115 Å²	115	62.8 Å²	62.8	53%	0.532	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-42.5	-176.6	-176	-84.8	0	0	0	111.7	R37 K42 S43	R37-H39 PolarHBondContact O-N 2.93Å; H39-K42 PolarHBondContact O-N 3.2Å; H39-S43 PolarHBondContact CE1-OG 2.97Å; H39-S43 VanDerWaalsContact CE1-OG 3.27Å; H39-S43 PolarHBondContact ND1-OG 3.4Å; H39-S43 VanDerWaalsContact O-CB 3.25Å; H39-S43 WeakPolarHBondContact O-CB 3.37Å; H39-S43 PolarHBondContact O-N 2.9Å; H39-S43 PolarHBondContact O-OG 3.48Å
40	E	90.5	Very high	89.9	Confident	140 Å²	140	65.4 Å²	65.4	65%	0.654	35%	0.353	S	S	*	.	H	α-helix	trans	-62.2	-47.3	177.5	-65.4	177.9	174.6	0	0	110.9	R37 K42 S43 A44	R37-E40 PolarHBondContact O-N 3.34Å; E40-K42 PolarHBondContact O-N 3Å; E40-S43 PolarHBondContact O-N 3.39Å; E40-A44 WeakPolarHBondContact O-CB 3.42Å; E40-A44 PolarHBondContact O-N 3.35Å
41	F	90.5	Very high	90	Very high	42 Å²	42	68.2 Å²	68.2	18%	0.184	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-40.5	179.5	-159.7	-80.5	0	0	0	112.3	R37 F38 K45 L48 V53 K56 L57 L60	R37-F41 VanDerWaalsContact O-CB 3.28Å; R37-F41 WeakPolarHBondContact O-CB 3.32Å; R37-F41 PolarHBondContact O-N 3Å; F38-F41 PolarHBondContact O-N 3.44Å; F41-K45 HydrophobicContact CE1-CD 4.26Å; F41-K45 HydrophobicContact CZ-CD 4.45Å; F41-K45 PolarHBondContact O-N 3.47Å; F41-L48 HydrophobicContact CE1-CD1 3.89Å; F41-V53 HydrophobicContact CB-CG1 4.1Å; F41-V53 HydrophobicContact CD1-CB 4.17Å; F41-V53 HydrophobicContact CD1-CG1 3.67Å; F41-V53 HydrophobicContact CD1-CG2 3.97Å; F41-V53 HydrophobicContact CE1-CG2 4.43Å; F41-V53 HydrophobicContact CG-CG1 4.21Å; F41-K56 HydrophobicContact CE1-CB 4.11Å; F41-K56 HydrophobicContact CE1-CD 3.88Å; F41-K56 HydrophobicContact CZ-CB 3.8Å; F41-K56 HydrophobicContact CZ-CD 3.75Å; F41-K56 HydrophobicContact CZ-CG 4.41Å; F41-L57 HydrophobicContact CB-CD1 4.35Å; F41-L57 HydrophobicContact CB-CD2 4.29Å; F41-L57 HydrophobicContact CD2-CD2 3.89Å; F41-L57 HydrophobicContact CD2-CG 4.41Å; F41-L57 HydrophobicContact CG-CD2 4.19Å; F41-L57 HydrophobicContact CG-CG 4.34Å; F41-L60 HydrophobicContact CE2-CD1 4.29Å
42	K	90.7	Very high	90.2	Very high	55 Å²	55	70.6 Å²	70.6	24%	0.239	38%	0.376	C	S	.	.	H	α-helix	trans	-71.2	-33.2	177.8	-180	56.6	176.6	165.1	0	112.3	F38 H39 E40 K45 P46 L48 V53	F38-K42 HydrophobicContact CE1-CB 4.44Å; F38-K42 WeakPolarHBondContact O-CB 3.49Å; F38-K42 PolarHBondContact O-N 3.15Å; H39-K42 PolarHBondContact O-N 3.2Å; E40-K42 PolarHBondContact O-N 3Å; K42-K45 CarbonylContact O-C 3.46Å; K42-P46 PolarHBondContact NZ-O 3.13Å; K42-P46 VanDerWaalsContact O-CA 3.26Å; K42-P46 WeakPolarHBondContact O-CA 3.47Å; K42-P46 VanDerWaalsContact O-N 3.16Å; K42-L48 PolarHBondContact NZ-O 2.82Å; K42-V53 HydrophobicContact CB-CG2 4.4Å; K42-V53 HydrophobicContact CD-CG2 4.07Å
43	S	91.1	Very high	90.4	Very high	70 Å²	70	67.8 Å²	67.8	49%	0.49	36%	0.357	S	S	.	.	H	α-helix	trans	-73.2	-36.4	176.2	-57.2	0	0	0	0	111.8	H39 E40 K45	H39-S43 PolarHBondContact CE1-OG 2.97Å; H39-S43 VanDerWaalsContact CE1-OG 3.27Å; H39-S43 PolarHBondContact ND1-OG 3.4Å; H39-S43 VanDerWaalsContact O-CB 3.25Å; H39-S43 WeakPolarHBondContact O-CB 3.37Å; H39-S43 PolarHBondContact O-N 2.9Å; H39-S43 PolarHBondContact O-OG 3.48Å; E40-S43 PolarHBondContact O-N 3.39Å; S43-K45 VanDerWaalsContact C-N 3.34Å
44	A	92.4	Very high	90.4	Very high	81 Å²	81	67.5 Å²	67.5	67%	0.669	36%	0.355	S	S	*	.	H	α-helix	trans	-71.4	-29	174.4	0	0	0	0	0	113.1	E40	E40-A44 WeakPolarHBondContact O-CB 3.42Å; E40-A44 PolarHBondContact O-N 3.35Å
45	K	90.2	Very high	90.4	Very high	88 Å²	88	72.3 Å²	72.3	38%	0.383	38%	0.376	S	S	.	.			trans	-130.8	69.3	-179.4	-63.3	-170.4	-178	-179.1	0	111	F41 K42 S43 E47 L48	F41-K45 HydrophobicContact CE1-CD 4.26Å; F41-K45 HydrophobicContact CZ-CD 4.45Å; F41-K45 PolarHBondContact O-N 3.47Å; K42-K45 CarbonylContact O-C 3.46Å; S43-K45 VanDerWaalsContact C-N 3.34Å; K45-E47 WeakPolarHBondContact CA-OE2 3.47Å; K45-E47 WeakPolarHBondContact CB-OE1 3.36Å; K45-E47 PolarHBondContact O-N 3.01Å; K45-L48 HydrophobicContact CB-CD1 3.6Å; K45-L48 HydrophobicContact CB-CG 3.94Å; K45-L48 HydrophobicContact CD-CD1 3.65Å; K45-L48 HydrophobicContact CG-CD1 4.24Å; K45-L48 PolarHBondContact O-N 2.87Å
46	P	89.6	Confident	90.6	Very high	88 Å²	88	70.1 Å²	70.1	57%	0.571	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.5	-176	27.4	-34.8	0	0	0	112.8	K42 L48	K42-P46 PolarHBondContact NZ-O 3.13Å; K42-P46 VanDerWaalsContact O-CA 3.26Å; K42-P46 WeakPolarHBondContact O-CA 3.47Å; K42-P46 VanDerWaalsContact O-N 3.16Å; P46-L48 VanDerWaalsContact C-N 3.3Å; P46-L48 PolarHBondContact O-N 3.19Å
47	E	91.9	Very high	90.8	Very high	137 Å²	137	67 Å²	67	64%	0.64	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.6	177.9	75	-72.4	173.1	0	0	113.6	K45	K45-E47 WeakPolarHBondContact CA-OE2 3.47Å; K45-E47 WeakPolarHBondContact CB-OE1 3.36Å; K45-E47 PolarHBondContact O-N 3.01Å
48	L	88.6	Confident	90.8	Very high	23 Å²	23	63.2 Å²	63.2	12%	0.12	33%	0.331	C	S	.	.	S	Bend	trans	-76.1	139.4	-176	-66.6	178.1	0	0	0	111.6	F41 K42 K45 P46 D52 V53 K56	F41-L48 HydrophobicContact CE1-CD1 3.89Å; K42-L48 PolarHBondContact NZ-O 2.82Å; K45-L48 HydrophobicContact CB-CD1 3.6Å; K45-L48 HydrophobicContact CB-CG 3.94Å; K45-L48 HydrophobicContact CD-CD1 3.65Å; K45-L48 HydrophobicContact CG-CD1 4.24Å; K45-L48 PolarHBondContact O-N 2.87Å; P46-L48 VanDerWaalsContact C-N 3.3Å; P46-L48 PolarHBondContact O-N 3.19Å; L48-D52 HydrophobicContact CB-CB 4.31Å; L48-D52 HydrophobicContact CD2-CB 4.37Å; L48-V53 HydrophobicContact CB-CG2 3.84Å; L48-V53 HydrophobicContact CD1-CG2 4.44Å; L48-K56 HydrophobicContact CD1-CD 4.02Å; L48-K56 VanDerWaalsContact CD1-NZ 3.29Å
49	S	91.3	Very high	90.8	Very high	66 Å²	66	67 Å²	67	46%	0.462	35%	0.349	S	S	.	.			trans	-61.2	151.5	169.3	-179.8	0	0	0	0	110.7	F51 D52 V53	S49-F51 PolarHBondContact O-N 3.03Å; S49-F51 VanDerWaalsContact O-N 3.14Å; S49-F51 PolarHBondContact OG-N 3.42Å; S49-D52 WeakPolarHBondContact CB-OD2 3.48Å; S49-D52 PolarHBondContact O-N 2.91Å; S49-V53 PolarHBondContact O-N 3.43Å
50	N	88.2	Confident	90.8	Very high	57 Å²	57	65.3 Å²	65.3	31%	0.305	34%	0.343	S	S	.	.	H	α-helix	trans	-54.4	-34.2	173.3	-68.6	-12	0	0	0	111.6	I14 F38 I54	I14-N50 HydrophobicContact CD1-CB 4.2Å; F38-N50 HydrophobicContact CE2-CB 4.36Å; F38-N50 HydrophobicContact CZ-CB 4.08Å; N50-I54 WeakPolarHBondContact O-CD1 3.31Å; N50-I54 VanDerWaalsContact O-CG1 3.29Å; N50-I54 WeakPolarHBondContact O-CG1 3.21Å; N50-I54 PolarHBondContact O-N 3.12Å
51	F	90.5	Very high	90.8	Very high	83 Å²	83	59.8 Å²	59.8	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-48.3	173.5	178	-93.8	0	0	0	112	I14 I18 S49 V53 I54 K55	I14-F51 HydrophobicContact CG2-CB 4.33Å; I14-F51 HydrophobicContact CG2-CD2 4.01Å; I18-F51 HydrophobicContact CD1-CD2 3.69Å; I18-F51 HydrophobicContact CD1-CE2 3.78Å; I18-F51 HydrophobicContact CD1-CG 4.41Å; I18-F51 HydrophobicContact CG1-CD2 3.95Å; I18-F51 HydrophobicContact CG1-CE2 3.55Å; I18-F51 HydrophobicContact CG1-CZ 4.36Å; S49-F51 PolarHBondContact O-N 3.03Å; S49-F51 VanDerWaalsContact O-N 3.14Å; S49-F51 PolarHBondContact OG-N 3.42Å; F51-V53 PolarHBondContact O-N 3.39Å; F51-I54 PolarHBondContact O-N 3.37Å; F51-K55 HydrophobicContact CE1-CD 4.1Å; F51-K55 WeakPolarHBondContact O-CB 3.43Å; F51-K55 PolarHBondContact O-N 3.35Å
52	D	91.2	Very high	90.8	Very high	61 Å²	61	66.2 Å²	66.2	33%	0.326	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-37.4	-179.3	-61.9	-46.2	0	0	0	112.1	L48 S49 K55 K56	L48-D52 HydrophobicContact CB-CB 4.31Å; L48-D52 HydrophobicContact CD2-CB 4.37Å; S49-D52 WeakPolarHBondContact CB-OD2 3.48Å; S49-D52 PolarHBondContact O-N 2.91Å; D52-K55 PolarHBondContact O-N 3.09Å; D52-K56 WeakPolarHBondContact O-CB 3.4Å; D52-K56 WeakPolarHBondContact O-CG 3.48Å; D52-K56 PolarHBondContact O-N 3.14Å
53	V	91.8	Very high	90.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-59.4	-50.5	173.2	171.9	0	0	0	0	110.3	F38 F41 K42 L48 S49 F51 K55 K56 L57	F38-V53 HydrophobicContact CD2-CB 4.44Å; F38-V53 HydrophobicContact CD2-CG1 3.59Å; F38-V53 HydrophobicContact CE2-CB 4.07Å; F38-V53 HydrophobicContact CE2-CG1 3.69Å; F38-V53 HydrophobicContact CG-CG1 4.46Å; F41-V53 HydrophobicContact CB-CG1 4.1Å; F41-V53 HydrophobicContact CD1-CB 4.17Å; F41-V53 HydrophobicContact CD1-CG1 3.67Å; F41-V53 HydrophobicContact CD1-CG2 3.97Å; F41-V53 HydrophobicContact CE1-CG2 4.43Å; F41-V53 HydrophobicContact CG-CG1 4.21Å; K42-V53 HydrophobicContact CB-CG2 4.4Å; K42-V53 HydrophobicContact CD-CG2 4.07Å; L48-V53 HydrophobicContact CB-CG2 3.84Å; L48-V53 HydrophobicContact CD1-CG2 4.44Å; S49-V53 PolarHBondContact O-N 3.43Å; F51-V53 PolarHBondContact O-N 3.39Å; V53-K55 VanDerWaalsContact C-N 3.34Å; V53-K55 PolarHBondContact O-N 3.47Å; V53-K56 PolarHBondContact O-N 2.98Å; V53-L57 HydrophobicContact CG1-CD1 3.87Å; V53-L57 HydrophobicContact CG1-CG 4.48Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 VanDerWaalsContact O-CG 3.32Å; V53-L57 WeakPolarHBondContact O-CG 3.47Å; V53-L57 PolarHBondContact O-N 3.05Å
54	I	89.9	Confident	90.9	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64.6	-40.2	179	-66	163.2	0	0	0	110.6	F11 I14 L15 I18 I34 F38 N50 F51 L57 A58	F11-I54 HydrophobicContact CD2-CD1 3.78Å; F11-I54 HydrophobicContact CD2-CG1 4.33Å; F11-I54 HydrophobicContact CE2-CD1 3.85Å; F11-I54 HydrophobicContact CE2-CG1 3.96Å; I14-I54 HydrophobicContact CB-CD1 4.05Å; I14-I54 HydrophobicContact CG2-CD1 3.61Å; L15-I54 HydrophobicContact CD1-CG2 3.67Å; I18-I54 HydrophobicContact CD1-CB 3.72Å; I18-I54 HydrophobicContact CD1-CG2 3.45Å; I18-I54 VanDerWaalsContact CD1-CG2 3.45Å; I34-I54 HydrophobicContact CG2-CG1 4.16Å; I34-I54 HydrophobicContact CG2-CG2 4.25Å; F38-I54 HydrophobicContact CD2-CG1 3.93Å; F38-I54 HydrophobicContact CE2-CD1 4.18Å; F38-I54 HydrophobicContact CE2-CG1 3.82Å; N50-I54 WeakPolarHBondContact O-CD1 3.31Å; N50-I54 VanDerWaalsContact O-CG1 3.29Å; N50-I54 WeakPolarHBondContact O-CG1 3.21Å; N50-I54 PolarHBondContact O-N 3.12Å; F51-I54 PolarHBondContact O-N 3.37Å; I54-L57 PolarHBondContact O-N 3.4Å; I54-A58 VanDerWaalsContact O-CB 3.22Å; I54-A58 WeakPolarHBondContact O-CB 3.33Å; I54-A58 PolarHBondContact O-N 3.45Å
55	K	90.6	Very high	91	Very high	101 Å²	101	65.4 Å²	65.4	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-44.9	177.7	-172.1	177.5	-179.3	-179.3	0	111.9	F51 D52 V53 A58 Q59	F51-K55 HydrophobicContact CE1-CD 4.1Å; F51-K55 WeakPolarHBondContact O-CB 3.43Å; F51-K55 PolarHBondContact O-N 3.35Å; D52-K55 PolarHBondContact O-N 3.09Å; V53-K55 VanDerWaalsContact C-N 3.34Å; V53-K55 PolarHBondContact O-N 3.47Å; K55-A58 WeakPolarHBondContact O-CB 3.33Å; K55-A58 PolarHBondContact O-N 2.8Å; K55-Q59 WeakPolarHBondContact O-CG 3.38Å; K55-Q59 PolarHBondContact O-N 3.11Å
56	K	92.4	Very high	91	Very high	74 Å²	74	66.1 Å²	66.1	32%	0.322	35%	0.348	S	S	.	.	H	α-helix	trans	-64.8	-45.6	176.2	-73.9	178.5	-177.4	177.5	0	111.6	F41 L48 D52 V53 A58 Q59 L60	F41-K56 HydrophobicContact CE1-CB 4.11Å; F41-K56 HydrophobicContact CE1-CD 3.88Å; F41-K56 HydrophobicContact CZ-CB 3.8Å; F41-K56 HydrophobicContact CZ-CD 3.75Å; F41-K56 HydrophobicContact CZ-CG 4.41Å; L48-K56 HydrophobicContact CD1-CD 4.02Å; L48-K56 VanDerWaalsContact CD1-NZ 3.29Å; D52-K56 WeakPolarHBondContact O-CB 3.4Å; D52-K56 WeakPolarHBondContact O-CG 3.48Å; D52-K56 PolarHBondContact O-N 3.14Å; V53-K56 PolarHBondContact O-N 2.98Å; K56-A58 VanDerWaalsContact C-N 3.27Å; K56-A58 PolarHBondContact O-N 2.95Å; K56-Q59 WeakPolarHBondContact O-CB 3.33Å; K56-Q59 PolarHBondContact O-N 3.45Å; K56-L60 WeakPolarHBondContact O-CG 3.33Å; K56-L60 PolarHBondContact O-N 2.95Å
57	L	92.6	Very high	91.2	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-34.2	175.5	-69.9	172.3	0	0	0	112.1	F33 I34 R37 F38 F41 V53 I54 L60 Y61	F33-L57 WeakPolarHBondContact CE1-O 3.28Å; I34-L57 HydrophobicContact CD1-CB 3.36Å; I34-L57 HydrophobicContact CG2-CB 4.41Å; I34-L57 HydrophobicContact CG2-CD1 4.04Å; R37-L57 HydrophobicContact CB-CD1 4.39Å; R37-L57 HydrophobicContact CB-CD2 3.71Å; F38-L57 HydrophobicContact CB-CD1 4.35Å; F41-L57 HydrophobicContact CB-CD1 4.35Å; F41-L57 HydrophobicContact CB-CD2 4.29Å; F41-L57 HydrophobicContact CD2-CD2 3.89Å; F41-L57 HydrophobicContact CD2-CG 4.41Å; F41-L57 HydrophobicContact CG-CD2 4.19Å; F41-L57 HydrophobicContact CG-CG 4.34Å; V53-L57 HydrophobicContact CG1-CD1 3.87Å; V53-L57 HydrophobicContact CG1-CG 4.48Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 VanDerWaalsContact O-CG 3.32Å; V53-L57 WeakPolarHBondContact O-CG 3.47Å; V53-L57 PolarHBondContact O-N 3.05Å; I54-L57 PolarHBondContact O-N 3.4Å; L57-L60 HydrophobicContact CD2-CD1 4.2Å; L57-L60 PolarHBondContact O-N 3.08Å; L57-Y61 PolarHBondContact O-N 2.9Å
58	A	90.9	Very high	91.2	Very high	9 Å²	9	65.8 Å²	65.8	7%	0.074	34%	0.338	C	S	.	.	H	α-helix	trans	-67.2	-38.9	175.5	0	0	0	0	0	112.1	I18 F30 I34 I54 K55 K56 K62	I18-A58 HydrophobicContact CG2-CB 4.45Å; F30-A58 HydrophobicContact CE2-CB 3.88Å; F30-A58 HydrophobicContact CZ-CB 3.67Å; I34-A58 HydrophobicContact CD1-CB 4.48Å; I54-A58 VanDerWaalsContact O-CB 3.22Å; I54-A58 WeakPolarHBondContact O-CB 3.33Å; I54-A58 PolarHBondContact O-N 3.45Å; K55-A58 WeakPolarHBondContact O-CB 3.33Å; K55-A58 PolarHBondContact O-N 2.8Å; K56-A58 VanDerWaalsContact C-N 3.27Å; K56-A58 PolarHBondContact O-N 2.95Å; A58-K62 WeakPolarHBondContact O-CG 3.29Å; A58-K62 PolarHBondContact O-N 3Å; A58-K62 VanDerWaalsContact O-N 3.17Å
59	Q	91	Very high	91.3	Very high	115 Å²	115	65.7 Å²	65.7	54%	0.537	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-44.1	171.7	-72.1	171.9	-32	0	0	111.1	K55 K56 Y61 K62 S63	K55-Q59 WeakPolarHBondContact O-CG 3.38Å; K55-Q59 PolarHBondContact O-N 3.11Å; K56-Q59 WeakPolarHBondContact O-CB 3.33Å; K56-Q59 PolarHBondContact O-N 3.45Å; Q59-Y61 VanDerWaalsContact C-N 3.33Å; Q59-Y61 PolarHBondContact O-N 3.41Å; Q59-K62 WeakPolarHBondContact O-CB 3.35Å; Q59-K62 PolarHBondContact O-N 2.77Å; Q59-K62 VanDerWaalsContact O-N 3.09Å; Q59-S63 PolarHBondContact O-N 2.93Å; Q59-S63 PolarHBondContact O-OG 3.26Å
60	L	91.9	Very high	91.3	Very high	79 Å²	79	66.7 Å²	66.7	41%	0.414	34%	0.336	S	S	.	.	H	α-helix	trans	-59.2	-43	176.5	-72.8	172.1	0	0	0	112.2	F33 F41 K56 L57 K62 S63 L64	F33-L60 HydrophobicContact CE1-CB 4.47Å; F33-L60 HydrophobicContact CZ-CB 4.4Å; F41-L60 HydrophobicContact CE2-CD1 4.29Å; K56-L60 WeakPolarHBondContact O-CG 3.33Å; K56-L60 PolarHBondContact O-N 2.95Å; L57-L60 HydrophobicContact CD2-CD1 4.2Å; L57-L60 PolarHBondContact O-N 3.08Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 3.21Å; L60-S63 WeakPolarHBondContact CA-OG 3.42Å; L60-S63 PolarHBondContact O-N 3.27Å; L60-S63 PolarHBondContact O-OG 3.21Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 3.37Å
61	Y	90.5	Very high	91.5	Very high	25 Å²	25	70.2 Å²	70.2	10%	0.098	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-38.6	175.2	-175.7	-92.8	0	0	0	112.4	F30 F33 L57 Q59 S63 L64 L72	F30-Y61 HydrophobicContact CB-CE1 4.17Å; F30-Y61 HydrophobicContact CB-CE2 4.49Å; F30-Y61 AromaticContact CD2-CD1 3.47Å; F30-Y61 HydrophobicContact CD2-CD1 3.47Å; F30-Y61 VanDerWaalsContact CD2-CD1 3.47Å; F30-Y61 HydrophobicContact CD2-CD2 4.29Å; F30-Y61 AromaticContact CD2-CE1 3.89Å; F30-Y61 HydrophobicContact CD2-CE1 3.89Å; F30-Y61 AromaticContact CD2-CG 3.66Å; F30-Y61 HydrophobicContact CD2-CG 3.66Å; F30-Y61 HydrophobicContact CE2-CD1 4.15Å; F30-Y61 HydrophobicContact CE2-CG 4.21Å; F30-Y61 HydrophobicContact CG-CD1 4.5Å; F33-Y61 HydrophobicContact CB-CD2 3.81Å; F33-Y61 HydrophobicContact CB-CE2 4.13Å; F33-Y61 AromaticContact CD1-CD2 3.75Å; F33-Y61 HydrophobicContact CD1-CD2 3.75Å; F33-Y61 HydrophobicContact CD1-CG 4.25Å; F33-Y61 HydrophobicContact CD2-CD2 4Å; F33-Y61 HydrophobicContact CE1-CD2 4.32Å; F33-Y61 AromaticContact CG-CD2 3.59Å; F33-Y61 HydrophobicContact CG-CD2 3.59Å; F33-Y61 HydrophobicContact CG-CE2 4.32Å; L57-Y61 PolarHBondContact O-N 2.9Å; Q59-Y61 VanDerWaalsContact C-N 3.33Å; Q59-Y61 PolarHBondContact O-N 3.41Å; Y61-S63 VanDerWaalsContact C-N 3.29Å; Y61-S63 PolarHBondContact O-N 3.11Å; Y61-L64 HydrophobicContact CD2-CD1 3.96Å; Y61-L64 HydrophobicContact CE2-CD1 4.47Å; Y61-L64 PolarHBondContact O-N 2.85Å; Y61-L72 HydrophobicContact CD2-CD1 4.47Å; Y61-L72 HydrophobicContact CE2-CD1 4.02Å
62	K	89.8	Confident	91.6	Very high	177 Å²	177	67.7 Å²	67.7	77%	0.77	34%	0.339	S	S	*	.	H	α-helix	trans	-70.4	-24.9	177.9	-72.2	177.4	-179.7	-173.3	0	113.1	A58 Q59 L60	A58-K62 WeakPolarHBondContact O-CG 3.29Å; A58-K62 PolarHBondContact O-N 3Å; A58-K62 VanDerWaalsContact O-N 3.17Å; Q59-K62 WeakPolarHBondContact O-CB 3.35Å; Q59-K62 PolarHBondContact O-N 2.77Å; Q59-K62 VanDerWaalsContact O-N 3.09Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 3.21Å
63	S	92.2	Very high	91.6	Very high	84 Å²	84	69.1 Å²	69.1	59%	0.587	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.9	177.2	60.1	0	0	0	0	113.9	Q59 L60 Y61	Q59-S63 PolarHBondContact O-N 2.93Å; Q59-S63 PolarHBondContact O-OG 3.26Å; L60-S63 WeakPolarHBondContact CA-OG 3.42Å; L60-S63 PolarHBondContact O-N 3.27Å; L60-S63 PolarHBondContact O-OG 3.21Å; Y61-S63 VanDerWaalsContact C-N 3.29Å; Y61-S63 PolarHBondContact O-N 3.11Å
64	L	91.8	Very high	91.7	Very high	35 Å²	35	72.6 Å²	72.6	18%	0.183	37%	0.367	C	S	.	.	S	Bend	trans	-65.8	147.3	176.2	-65.9	179.1	0	0	0	110.8	F33 L60 Y61 E68 V69 L72	F33-L64 HydrophobicContact CD2-CD1 4.06Å; F33-L64 HydrophobicContact CE2-CD1 3.62Å; F33-L64 HydrophobicContact CE2-CD2 4.43Å; F33-L64 HydrophobicContact CE2-CG 4.47Å; F33-L64 HydrophobicContact CZ-CD1 4.15Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 3.37Å; Y61-L64 HydrophobicContact CD2-CD1 3.96Å; Y61-L64 HydrophobicContact CE2-CD1 4.47Å; Y61-L64 PolarHBondContact O-N 2.85Å; L64-E68 HydrophobicContact CD1-CG 4.42Å; L64-V69 HydrophobicContact CB-CG2 3.72Å; L64-V69 HydrophobicContact CD1-CG2 4.4Å; L64-L72 HydrophobicContact CD1-CD1 3.78Å
65	P	93.6	Very high	91.8	Very high	70 Å²	70	77 Å²	77	46%	0.455	39%	0.387	S	S	.	.			trans	-54.5	148.9	168.7	-22.9	33.3	0	0	0	111.8	E67 E68 V69	P65-E67 WeakPolarHBondContact CB-OE2 3.31Å; P65-E67 PolarHBondContact O-N 3.33Å; P65-E68 PolarHBondContact O-N 3Å; P65-E68 VanDerWaalsContact O-N 3.11Å; P65-V69 PolarHBondContact O-N 3.45Å
66	V	90.5	Very high	91.8	Very high	103 Å²	103	72.6 Å²	72.6	62%	0.624	37%	0.369	S	S	*	.	H	α-helix	trans	-58.6	-39	-178.1	178.7	0	0	0	0	110.5	E68 V69 E70	V66-E68 VanDerWaalsContact C-N 3.35Å; V66-E68 PolarHBondContact O-N 3.03Å; V66-V69 PolarHBondContact O-N 3.42Å; V66-E70 HydrophobicContact CG1-CG 4.35Å; V66-E70 WeakPolarHBondContact O-CG 3.41Å; V66-E70 PolarHBondContact O-N 2.82Å
67	E	93.2	Very high	91.7	Very high	145 Å²	145	76.3 Å²	76.3	68%	0.678	39%	0.386	S	S	*	.	H	α-helix	trans	-61.3	-41.7	179.1	-59.7	73.2	-158.9	0	0	111.8	P65 E70 K71	P65-E67 WeakPolarHBondContact CB-OE2 3.31Å; P65-E67 PolarHBondContact O-N 3.33Å; E67-E70 PolarHBondContact O-N 3.39Å; E67-K71 WeakPolarHBondContact O-CB 3.35Å; E67-K71 PolarHBondContact O-N 2.69Å
68	E	92.6	Very high	91.7	Very high	72 Å²	72	82.9 Å²	82.9	34%	0.336	42%	0.416	S	S	.	.	H	α-helix	trans	-70.2	-40.6	177.8	-170.3	177.8	170.5	0	0	111	L64 P65 V66 E70 K71 L72	L64-E68 HydrophobicContact CD1-CG 4.42Å; P65-E68 PolarHBondContact O-N 3Å; P65-E68 VanDerWaalsContact O-N 3.11Å; V66-E68 VanDerWaalsContact C-N 3.35Å; V66-E68 PolarHBondContact O-N 3.03Å; E68-E70 VanDerWaalsContact C-N 3.35Å; E68-E70 PolarHBondContact O-N 3.48Å; E68-K71 PolarHBondContact O-N 2.86Å; E68-L72 HydrophobicContact CG-CD1 4.4Å; E68-L72 VanDerWaalsContact O-CG 3.29Å; E68-L72 WeakPolarHBondContact O-CG 3.29Å; E68-L72 PolarHBondContact O-N 3.32Å
69	V	90.3	Very high	91.7	Very high	21 Å²	21	87.6 Å²	87.6	13%	0.127	44%	0.437	C	S	.	.	H	α-helix	trans	-61	-43.8	175.1	172.8	0	0	0	0	111.2	L64 P65 V66 L72 K73	L64-V69 HydrophobicContact CB-CG2 3.72Å; L64-V69 HydrophobicContact CD1-CG2 4.4Å; P65-V69 PolarHBondContact O-N 3.45Å; V66-V69 PolarHBondContact O-N 3.42Å; V69-L72 PolarHBondContact O-N 2.71Å; V69-K73 HydrophobicContact CG1-CD 4.32Å; V69-K73 WeakPolarHBondContact O-CG 3.4Å; V69-K73 PolarHBondContact O-N 2.89Å
70	E	91.7	Very high	91.7	Very high	87 Å²	87	84.6 Å²	84.6	41%	0.407	42%	0.423	S	S	.	.	H	α-helix	trans	-67.9	-37	177.4	-71.1	-50.6	128.3	0	0	112.7	V66 E67 E68 K73 S74	V66-E70 HydrophobicContact CG1-CG 4.35Å; V66-E70 WeakPolarHBondContact O-CG 3.41Å; V66-E70 PolarHBondContact O-N 2.82Å; E67-E70 PolarHBondContact O-N 3.39Å; E68-E70 VanDerWaalsContact C-N 3.35Å; E68-E70 PolarHBondContact O-N 3.48Å; E70-K73 PolarHBondContact O-N 2.98Å; E70-K73 WeakPolarHBondContact OE1-CD 3.23Å; E70-K73 IonicContact OE1-NZ 3.11Å; E70-K73 PolarHBondContact OE1-NZ 3.25Å; E70-S74 WeakPolarHBondContact O-CB 3.47Å; E70-S74 PolarHBondContact O-N 3.39Å; E70-S74 PolarHBondContact O-OG 2.71Å
71	K	93.3	Very high	91.8	Very high	132 Å²	132	88.4 Å²	88.4	57%	0.574	43%	0.433	S	S	*	.	H	α-helix	trans	-60.1	-49.4	171.4	-174.3	-176.1	176.4	-170.6	0	111.2	E67 E68 K73 S74 E75	E67-K71 WeakPolarHBondContact O-CB 3.35Å; E67-K71 PolarHBondContact O-N 2.69Å; E68-K71 PolarHBondContact O-N 2.86Å; K71-K73 VanDerWaalsContact C-N 3.29Å; K71-K73 PolarHBondContact O-N 3.43Å; K71-S74 WeakPolarHBondContact O-CB 3.5Å; K71-S74 PolarHBondContact O-N 3.28Å; K71-S74 VanDerWaalsContact O-N 3.1Å; K71-E75 WeakPolarHBondContact CE-OE1 3.38Å; K71-E75 WeakPolarHBondContact O-CG 3.21Å; K71-E75 PolarHBondContact O-N 3.33Å
72	L	91.9	Very high	91.9	Very high	29 Å²	29	89.9 Å²	89.9	15%	0.152	44%	0.438	C	S	.	.	H	α-helix	trans	-61.5	-36.8	178.1	-69.6	171.4	0	0	0	112.3	A29 F33 Y61 L64 E68 V69 A76	A29-L72 HydrophobicContact CB-CB 4.01Å; A29-L72 WeakPolarHBondContact CB-O 3.41Å; F33-L72 HydrophobicContact CD2-CD1 3.84Å; Y61-L72 HydrophobicContact CD2-CD1 4.47Å; Y61-L72 HydrophobicContact CE2-CD1 4.02Å; L64-L72 HydrophobicContact CD1-CD1 3.78Å; E68-L72 HydrophobicContact CG-CD1 4.4Å; E68-L72 VanDerWaalsContact O-CG 3.29Å; E68-L72 WeakPolarHBondContact O-CG 3.29Å; E68-L72 PolarHBondContact O-N 3.32Å; V69-L72 PolarHBondContact O-N 2.71Å; L72-A76 VanDerWaalsContact O-CB 3.26Å; L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 2.78Å
73	K	91.8	Very high	92.1	Very high	92 Å²	92	82.8 Å²	82.8	40%	0.4	41%	0.41	S	S	.	.	H	α-helix	trans	-63.4	-43.2	172.8	-75.5	173.1	-176	171.4	0	112.1	A29 V69 E70 K71 A76 K77	A29-K73 HydrophobicContact CB-CB 4.45Å; A29-K73 HydrophobicContact CB-CG 3.97Å; V69-K73 HydrophobicContact CG1-CD 4.32Å; V69-K73 WeakPolarHBondContact O-CG 3.4Å; V69-K73 PolarHBondContact O-N 2.89Å; E70-K73 PolarHBondContact O-N 2.98Å; E70-K73 WeakPolarHBondContact OE1-CD 3.23Å; E70-K73 IonicContact OE1-NZ 3.11Å; E70-K73 PolarHBondContact OE1-NZ 3.25Å; K71-K73 VanDerWaalsContact C-N 3.29Å; K71-K73 PolarHBondContact O-N 3.43Å; K73-A76 PolarHBondContact O-N 2.97Å; K73-K77 WeakPolarHBondContact O-CB 3.37Å; K73-K77 PolarHBondContact O-N 3.03Å
74	S	92.9	Very high	92.2	Very high	73 Å²	73	84.9 Å²	84.9	51%	0.51	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-48.2	178.7	-61.1	0	0	0	0	111.5	E70 K71 A76 K77 E78	E70-S74 WeakPolarHBondContact O-CB 3.47Å; E70-S74 PolarHBondContact O-N 3.39Å; E70-S74 PolarHBondContact O-OG 2.71Å; K71-S74 WeakPolarHBondContact O-CB 3.5Å; K71-S74 PolarHBondContact O-N 3.28Å; K71-S74 VanDerWaalsContact O-N 3.1Å; S74-A76 PolarHBondContact O-N 3.32Å; S74-K77 WeakPolarHBondContact O-CB 3.33Å; S74-K77 PolarHBondContact O-N 2.73Å; S74-E78 PolarHBondContact O-N 2.99Å
75	E	92	Very high	92.4	Very high	91 Å²	91	88 Å²	88	43%	0.425	42%	0.421	S	S	.	.	H	α-helix	trans	-60.3	-42.4	175.1	-70.3	175.2	179.7	0	0	111.9	K71 K77 E78 Q79	K71-E75 WeakPolarHBondContact CE-OE1 3.38Å; K71-E75 WeakPolarHBondContact O-CG 3.21Å; K71-E75 PolarHBondContact O-N 3.33Å; E75-K77 VanDerWaalsContact C-N 3.33Å; E75-K77 PolarHBondContact O-N 3.21Å; E75-E78 PolarHBondContact O-N 3.17Å; E75-Q79 WeakPolarHBondContact O-CB 3.2Å; E75-Q79 PolarHBondContact O-N 3.32Å
76	A	90.5	Very high	92.6	Very high	9 Å²	9	84.7 Å²	84.7	7%	0.074	40%	0.399	C	S	.	.	H	α-helix	trans	-64.1	-38.3	177.2	0	0	0	0	0	112.3	A29 L72 K73 S74 Q80	A29-A76 HydrophobicContact CB-CB 4.01Å; L72-A76 VanDerWaalsContact O-CB 3.26Å; L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 2.78Å; K73-A76 PolarHBondContact O-N 2.97Å; S74-A76 PolarHBondContact O-N 3.32Å; A76-Q80 WeakPolarHBondContact O-CB 3.41Å; A76-Q80 PolarHBondContact O-N 3.13Å
77	K	91.6	Very high	92.9	Very high	153 Å²	153	81.1 Å²	81.1	67%	0.665	38%	0.378	S	S	*	.	H	α-helix	trans	-67.7	-43.6	176.2	-173.1	-178.6	179.2	-176.9	0	111.5	K73 S74 E75 Q80 Y81	K73-K77 WeakPolarHBondContact O-CB 3.37Å; K73-K77 PolarHBondContact O-N 3.03Å; S74-K77 WeakPolarHBondContact O-CB 3.33Å; S74-K77 PolarHBondContact O-N 2.73Å; E75-K77 VanDerWaalsContact C-N 3.33Å; E75-K77 PolarHBondContact O-N 3.21Å; K77-Q80 PolarHBondContact O-N 3.48Å; K77-Y81 PolarHBondContact O-N 2.97Å
78	E	92.5	Very high	93.1	Very high	140 Å²	140	79.9 Å²	79.9	65%	0.654	37%	0.37	S	S	*	.	H	α-helix	trans	-61	-46.6	175	-174.4	178.6	-174.9	0	0	111	S74 E75 Q80 Y81 Y82	S74-E78 PolarHBondContact O-N 2.99Å; E75-E78 PolarHBondContact O-N 3.17Å; E78-Q80 VanDerWaalsContact C-N 3.33Å; E78-Q80 PolarHBondContact O-N 3.45Å; E78-Y81 WeakPolarHBondContact O-CB 3.16Å; E78-Y81 PolarHBondContact O-N 3.41Å; E78-Y81 VanDerWaalsContact O-N 3.14Å; E78-Y82 PolarHBondContact O-N 3.39Å
79	Q	90.7	Very high	93.3	Very high	107 Å²	107	78.8 Å²	78.8	50%	0.5	36%	0.364	S	S	.	.	H	α-helix	trans	-62.5	-40.2	176.7	-176.6	60.7	10	0	0	112	E75 Y81 Y82 V83	E75-Q79 WeakPolarHBondContact O-CB 3.2Å; E75-Q79 PolarHBondContact O-N 3.32Å; Q79-Y81 VanDerWaalsContact C-N 3.33Å; Q79-Y81 PolarHBondContact O-N 3.25Å; Q79-Y82 PolarHBondContact O-N 3.25Å; Q79-V83 WeakPolarHBondContact O-CG2 3.47Å; Q79-V83 PolarHBondContact O-N 2.77Å
80	Q	90.5	Very high	93.7	Very high	52 Å²	52	77.8 Å²	77.8	24%	0.243	36%	0.358	C	S	.	.	H	α-helix	trans	-61.4	-43.2	174.5	-176.4	-177.1	22.6	0	0	111.5	N27 A76 K77 E78 K84	N27-Q80 HydrophobicContact CB-CB 4.17Å; N27-Q80 HydrophobicContact CB-CG 4.16Å; A76-Q80 WeakPolarHBondContact O-CB 3.41Å; A76-Q80 PolarHBondContact O-N 3.13Å; K77-Q80 PolarHBondContact O-N 3.48Å; E78-Q80 VanDerWaalsContact C-N 3.33Å; E78-Q80 PolarHBondContact O-N 3.45Å; Q80-K84 HydrophobicContact CG-CD 4.49Å; Q80-K84 WeakPolarHBondContact O-CG 3.36Å; Q80-K84 PolarHBondContact O-N 3.08Å
81	Y	93.5	Very high	94	Very high	160 Å²	160	77.2 Å²	77.2	63%	0.627	35%	0.353	S	S	*	.	H	α-helix	trans	-62.6	-46.3	176.4	175.4	-102.6	0	0	0	111.2	K77 E78 Q79 V83 K84 K85	K77-Y81 PolarHBondContact O-N 2.97Å; E78-Y81 WeakPolarHBondContact O-CB 3.16Å; E78-Y81 PolarHBondContact O-N 3.41Å; E78-Y81 VanDerWaalsContact O-N 3.14Å; Q79-Y81 VanDerWaalsContact C-N 3.33Å; Q79-Y81 PolarHBondContact O-N 3.25Å; Y81-V83 PolarHBondContact O-N 3.2Å; Y81-K84 PolarHBondContact O-N 3.06Å; Y81-K85 WeakPolarHBondContact O-CB 3.39Å; Y81-K85 PolarHBondContact O-N 3.29Å
82	Y	93.9	Very high	94.2	Very high	55 Å²	55	79.7 Å²	79.7	22%	0.216	36%	0.359	C	S	.	.	H	α-helix	trans	-57.6	-49.6	176	178	-92	0	0	0	112	E78 Q79 K84 K85 A86 D180 Y183	E78-Y82 PolarHBondContact O-N 3.39Å; Q79-Y82 PolarHBondContact O-N 3.25Å; Y82-K84 VanDerWaalsContact C-N 3.31Å; Y82-K84 PolarHBondContact O-N 2.97Å; Y82-K85 WeakPolarHBondContact O-CB 3.34Å; Y82-K85 PolarHBondContact O-N 2.88Å; Y82-K85 VanDerWaalsContact O-N 3.12Å; Y82-A86 WeakPolarHBondContact O-CB 3.36Å; Y82-A86 PolarHBondContact O-N 3.09Å; Y82-D180 VanDerWaalsContact CE1-OD1 3.25Å; Y82-D180 WeakPolarHBondContact CE1-OD1 3.31Å; Y82-D180 PolarHBondContact OH-OD1 2.98Å; Y82-D180 VanDerWaalsContact OH-OD1 3.05Å; Y82-Y183 AromaticContact CE2-CD1 3.93Å; Y82-Y183 HydrophobicContact CE2-CD1 3.93Å; Y82-Y183 AromaticContact CE2-CE1 3.86Å; Y82-Y183 HydrophobicContact CE2-CE1 3.86Å; Y82-Y183 AromaticContact CZ-CD1 3.91Å
83	V	93.3	Very high	94.4	Very high	29 Å²	29	81.8 Å²	81.8	18%	0.176	37%	0.37	C	S	.	.	H	α-helix	trans	-60	-41.8	178.4	170.9	0	0	0	0	111.3	Q79 Y81 T87	Q79-V83 WeakPolarHBondContact O-CG2 3.47Å; Q79-V83 PolarHBondContact O-N 2.77Å; Y81-V83 PolarHBondContact O-N 3.2Å; V83-T87 WeakPolarHBondContact O-CB 3.16Å; V83-T87 PolarHBondContact O-N 2.81Å; V83-T87 PolarHBondContact O-OG1 2.93Å
84	K	94.8	Very high	94.6	Very high	128 Å²	128	79.9 Å²	79.9	56%	0.557	38%	0.377	S	S	*	.	H	α-helix	trans	-62.6	-43.9	175.1	-75.5	176.4	179.8	176.2	0	111.6	Q80 Y81 Y82 K88	Q80-K84 HydrophobicContact CG-CD 4.49Å; Q80-K84 WeakPolarHBondContact O-CG 3.36Å; Q80-K84 PolarHBondContact O-N 3.08Å; Y81-K84 PolarHBondContact O-N 3.06Å; Y82-K84 VanDerWaalsContact C-N 3.31Å; Y82-K84 PolarHBondContact O-N 2.97Å; K84-K88 VanDerWaalsContact O-CB 3.27Å; K84-K88 WeakPolarHBondContact O-CB 3.21Å; K84-K88 PolarHBondContact O-N 3.41Å
85	K	96.3	Very high	94.9	Very high	100 Å²	100	76.7 Å²	76.7	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-52.7	178	-172.9	-172.4	-176.1	-165.9	0	111.2	Y81 Y82 T87 K88 F89 Y183	Y81-K85 WeakPolarHBondContact O-CB 3.39Å; Y81-K85 PolarHBondContact O-N 3.29Å; Y82-K85 WeakPolarHBondContact O-CB 3.34Å; Y82-K85 PolarHBondContact O-N 2.88Å; Y82-K85 VanDerWaalsContact O-N 3.12Å; K85-T87 PolarHBondContact O-N 3.21Å; K85-K88 PolarHBondContact O-N 2.73Å; K85-F89 WeakPolarHBondContact O-CB 3.46Å; K85-F89 PolarHBondContact O-N 3.34Å; K85-Y183 WeakPolarHBondContact CE-OH 3.44Å; K85-Y183 PolarHBondContact NZ-OH 2.9Å
86	A	96.8	Very high	95.1	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.008	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-45.4	178.1	0	0	0	0	0	111.9	Y82 K88 F89 A90 Y183	Y82-A86 WeakPolarHBondContact O-CB 3.36Å; Y82-A86 PolarHBondContact O-N 3.09Å; A86-K88 PolarHBondContact O-N 3.45Å; A86-F89 WeakPolarHBondContact O-CB 3.29Å; A86-F89 PolarHBondContact O-N 3.41Å; A86-A90 PolarHBondContact O-N 3.39Å; A86-Y183 HydrophobicContact CB-CD1 4.22Å; A86-Y183 HydrophobicContact CB-CD2 4.27Å; A86-Y183 HydrophobicContact CB-CG 3.79Å
87	T	96.4	Very high	95.3	Very high	27 Å²	27	80.9 Å²	80.9	17%	0.166	37%	0.372	C	S	.	.	H	α-helix	trans	-62.6	-44.4	177.9	-58.9	0	0	0	0	111.9	V83 K85 F89 A90 Y91 M95	V83-T87 WeakPolarHBondContact O-CB 3.16Å; V83-T87 PolarHBondContact O-N 2.81Å; V83-T87 PolarHBondContact O-OG1 2.93Å; K85-T87 PolarHBondContact O-N 3.21Å; T87-F89 VanDerWaalsContact C-N 3.33Å; T87-F89 PolarHBondContact O-N 2.98Å; T87-A90 PolarHBondContact O-N 3.24Å; T87-Y91 HydrophobicContact CG2-CD2 3.72Å; T87-Y91 HydrophobicContact CG2-CE2 3.28Å; T87-Y91 WeakPolarHBondContact O-CD2 3.27Å; T87-Y91 PolarHBondContact O-N 3.01Å; T87-M95 HydrophobicContact CG2-CE 4.44Å
88	K	97.4	Very high	95.4	Very high	120 Å²	120	77.1 Å²	77.1	52%	0.522	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-39.8	176.5	-172.4	176.7	-174.1	-179.2	0	111.5	K84 K85 A86 R92	K84-K88 VanDerWaalsContact O-CB 3.27Å; K84-K88 WeakPolarHBondContact O-CB 3.21Å; K84-K88 PolarHBondContact O-N 3.41Å; K85-K88 PolarHBondContact O-N 2.73Å; A86-K88 PolarHBondContact O-N 3.45Å; K88-R92 WeakPolarHBondContact O-CB 2.98Å; K88-R92 VanDerWaalsContact O-CG 3.31Å; K88-R92 WeakPolarHBondContact O-CG 3.42Å; K88-R92 PolarHBondContact O-N 3.16Å
89	F	97.7	Very high	95.4	Very high	49 Å²	49	71.8 Å²	71.8	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-62.9	-46.8	175.3	-176.6	-93.1	0	0	0	111.5	K85 A86 T87 Y91 R92 N93 F182 Y183 Y186	K85-F89 WeakPolarHBondContact O-CB 3.46Å; K85-F89 PolarHBondContact O-N 3.34Å; A86-F89 WeakPolarHBondContact O-CB 3.29Å; A86-F89 PolarHBondContact O-N 3.41Å; T87-F89 VanDerWaalsContact C-N 3.33Å; T87-F89 PolarHBondContact O-N 2.98Å; F89-Y91 PolarHBondContact O-N 3Å; F89-R92 PolarHBondContact O-N 3.45Å; F89-N93 WeakPolarHBondContact CZ-ND2 3.49Å; F89-N93 PolarHBondContact O-N 3.27Å; F89-N93 VanDerWaalsContact O-N 3.08Å; F89-N93 PolarHBondContact O-ND2 3.16Å; F89-F182 AromaticContact CD1-CD1 3.89Å; F89-F182 HydrophobicContact CD1-CD1 3.89Å; F89-F182 AromaticContact CD1-CE1 3.62Å; F89-F182 HydrophobicContact CD1-CE1 3.62Å; F89-F182 HydrophobicContact CE1-CD1 4.03Å; F89-F182 AromaticContact CE1-CE1 3.46Å; F89-F182 HydrophobicContact CE1-CE1 3.46Å; F89-F182 VanDerWaalsContact CE1-CE1 3.46Å; F89-F182 HydrophobicContact CE1-CZ 4.25Å; F89-Y183 HydrophobicContact CB-CD2 3.82Å; F89-Y183 HydrophobicContact CB-CE2 4.1Å; F89-Y183 AromaticContact CD1-CD2 3.74Å; F89-Y183 HydrophobicContact CD1-CD2 3.74Å; F89-Y183 HydrophobicContact CD1-CE2 4.37Å; F89-Y183 HydrophobicContact CD2-CD2 4.48Å; F89-Y183 HydrophobicContact CD2-CE2 4.34Å; F89-Y183 HydrophobicContact CE1-CD2 4.44Å; F89-Y183 AromaticContact CG-CD2 3.76Å; F89-Y183 HydrophobicContact CG-CD2 3.76Å; F89-Y183 HydrophobicContact CG-CE2 4.02Å; F89-Y186 AromaticContact CE1-CD2 3.78Å; F89-Y186 HydrophobicContact CE1-CD2 3.78Å; F89-Y186 HydrophobicContact CE1-CE2 4.38Å; F89-Y186 HydrophobicContact CE1-CG 4.11Å; F89-Y186 HydrophobicContact CZ-CD2 4.16Å; F89-Y186 HydrophobicContact CZ-CG 4.04Å
90	A	97.8	Very high	95.6	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-45.5	176.9	0	0	0	0	0	112.1	A86 T87 R92 N93 G94 M95 W163 A179 F182	A86-A90 PolarHBondContact O-N 3.39Å; T87-A90 PolarHBondContact O-N 3.24Å; A90-R92 VanDerWaalsContact C-N 3.35Å; A90-R92 PolarHBondContact O-N 2.81Å; A90-N93 CarbonylContact O-C 3.21Å; A90-N93 VanDerWaalsContact O-C 3.3Å; A90-N93 PolarHBondContact O-N 3.29Å; A90-N93 VanDerWaalsContact O-N 3.09Å; A90-G94 PolarHBondContact O-N 3.36Å; A90-M95 VanDerWaalsContact C-CB 3.47Å; A90-M95 HydrophobicContact CB-CB 3.97Å; A90-M95 HydrophobicContact CB-CE 3.82Å; A90-M95 HydrophobicContact CB-CG 4.45Å; A90-M95 HydrophobicContact CB-SD 3.67Å; A90-M95 WeakPolarHBondContact O-CB 3.47Å; A90-M95 PolarHBondContact O-N 3.45Å; A90-W163 HydrophobicContact CB-CH2 4.15Å; A90-W163 HydrophobicContact CB-CZ2 4.42Å; A90-A179 HydrophobicContact CB-CB 3.92Å; A90-F182 HydrophobicContact CB-CD1 3.88Å
91	Y	97.8	Very high	95.6	Very high	75 Å²	75	69.9 Å²	69.9	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-37.1	176.4	-73.9	-48.8	0	0	0	113.6	T87 F89 N93 G94 M95 P96 K97	T87-Y91 HydrophobicContact CG2-CD2 3.72Å; T87-Y91 HydrophobicContact CG2-CE2 3.28Å; T87-Y91 WeakPolarHBondContact O-CD2 3.27Å; T87-Y91 PolarHBondContact O-N 3.01Å; F89-Y91 PolarHBondContact O-N 3Å; Y91-N93 PolarHBondContact O-N 2.9Å; Y91-G94 PolarHBondContact O-N 3.01Å; Y91-M95 HydrophobicContact CD1-CB 4.17Å; Y91-M95 HydrophobicContact CD1-CE 3.57Å; Y91-M95 HydrophobicContact CD1-CG 4.49Å; Y91-M95 WeakPolarHBondContact CD1-O 3.32Å; Y91-M95 HydrophobicContact CD2-CE 4.21Å; Y91-M95 HydrophobicContact CE1-CE 3.26Å; Y91-M95 HydrophobicContact CE1-CG 4.48Å; Y91-M95 HydrophobicContact CE2-CE 3.98Å; Y91-M95 HydrophobicContact CG-CE 4.01Å; Y91-M95 VanDerWaalsContact CZ-CE 3.48Å; Y91-P96 WeakPolarHBondContact CE1-O 3.27Å; Y91-K97 HydrophobicContact CD1-CG 3.95Å; Y91-K97 HydrophobicContact CE1-CG 4.03Å
92	R	97.3	Very high	95.7	Very high	183 Å²	183	64.1 Å²	64.1	69%	0.691	32%	0.321	S	S	*	.	H	α-helix	trans	-65.3	-28.5	174.4	-77.3	172.4	165.9	178.6	-9.7	112.3	K88 F89 A90	K88-R92 WeakPolarHBondContact O-CB 2.98Å; K88-R92 VanDerWaalsContact O-CG 3.31Å; K88-R92 WeakPolarHBondContact O-CG 3.42Å; K88-R92 PolarHBondContact O-N 3.16Å; F89-R92 PolarHBondContact O-N 3.45Å; A90-R92 VanDerWaalsContact C-N 3.35Å; A90-R92 PolarHBondContact O-N 2.81Å
93	N	97.2	Very high	95.8	Very high	74 Å²	74	61.5 Å²	61.5	40%	0.396	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	35.6	178.9	-67	-78	0	0	0	112.4	F89 A90 Y91 M95 W163 F182	F89-N93 WeakPolarHBondContact CZ-ND2 3.49Å; F89-N93 PolarHBondContact O-N 3.27Å; F89-N93 VanDerWaalsContact O-N 3.08Å; F89-N93 PolarHBondContact O-ND2 3.16Å; A90-N93 CarbonylContact O-C 3.21Å; A90-N93 VanDerWaalsContact O-C 3.3Å; A90-N93 PolarHBondContact O-N 3.29Å; A90-N93 VanDerWaalsContact O-N 3.09Å; Y91-N93 PolarHBondContact O-N 2.9Å; N93-M95 PolarHBondContact O-N 3.1Å; N93-W163 PolarHBondContact O-NE1 3.22Å; N93-F182 HydrophobicContact CB-CE1 3.66Å; N93-F182 HydrophobicContact CB-CZ 3.64Å
94	G	96.7	Very high	95.9	Very high	52 Å²	52	62.4 Å²	62.4	54%	0.536	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	8	167.1	0	0	0	0	0	116.3	A90 Y91 P96 W163	A90-G94 PolarHBondContact O-N 3.36Å; Y91-G94 PolarHBondContact O-N 3.01Å; G94-P96 VanDerWaalsContact O-CD 3.31Å; G94-P96 WeakPolarHBondContact O-CD 3.19Å; G94-W163 VanDerWaalsContact O-CD1 3.29Å
95	M	97.5	Very high	96	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.025	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-59	125.4	171.3	-171.9	174.4	72.9	0	0	109.2	T87 A90 Y91 N93 L160 W163 I175 A179	T87-M95 HydrophobicContact CG2-CE 4.44Å; A90-M95 VanDerWaalsContact C-CB 3.47Å; A90-M95 HydrophobicContact CB-CB 3.97Å; A90-M95 HydrophobicContact CB-CE 3.82Å; A90-M95 HydrophobicContact CB-CG 4.45Å; A90-M95 HydrophobicContact CB-SD 3.67Å; A90-M95 WeakPolarHBondContact O-CB 3.47Å; A90-M95 PolarHBondContact O-N 3.45Å; Y91-M95 HydrophobicContact CD1-CB 4.17Å; Y91-M95 HydrophobicContact CD1-CE 3.57Å; Y91-M95 HydrophobicContact CD1-CG 4.49Å; Y91-M95 WeakPolarHBondContact CD1-O 3.32Å; Y91-M95 HydrophobicContact CD2-CE 4.21Å; Y91-M95 HydrophobicContact CE1-CE 3.26Å; Y91-M95 HydrophobicContact CE1-CG 4.48Å; Y91-M95 HydrophobicContact CE2-CE 3.98Å; Y91-M95 HydrophobicContact CG-CE 4.01Å; Y91-M95 VanDerWaalsContact CZ-CE 3.48Å; N93-M95 PolarHBondContact O-N 3.1Å; M95-L160 HydrophobicContact CG-CD2 4.09Å; M95-W163 HydrophobicContact CB-CD2 4.22Å; M95-W163 HydrophobicContact CB-CE3 4.5Å; M95-W163 HydrophobicContact CB-CH2 4.02Å; M95-W163 HydrophobicContact CB-CZ2 3.73Å; M95-W163 HydrophobicContact CB-CZ3 4.4Å; M95-W163 HydrophobicContact CG-CD2 4.27Å; M95-W163 HydrophobicContact CG-CE3 4.13Å; M95-W163 HydrophobicContact CG-CH2 4.1Å; M95-W163 HydrophobicContact CG-CZ2 4.27Å; M95-W163 HydrophobicContact CG-CZ3 4.03Å; M95-W163 HydrophobicContact SD-CH2 4.14Å; M95-W163 HydrophobicContact SD-CZ3 4.11Å; M95-I175 HydrophobicContact CE-CG2 3.69Å; M95-I175 HydrophobicContact SD-CG2 4.35Å; M95-A179 HydrophobicContact CE-CB 4.46Å; M95-A179 HydrophobicContact SD-CB 4.44Å
96	P	97	Very high	96	Very high	27 Å²	27	57.1 Å²	57.1	18%	0.175	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-55.7	140.7	178.4	-28.2	34.7	0	0	0	112.6	Y91 G94 Y156 K159 L160 W163	Y91-P96 WeakPolarHBondContact CE1-O 3.27Å; G94-P96 VanDerWaalsContact O-CD 3.31Å; G94-P96 WeakPolarHBondContact O-CD 3.19Å; P96-Y156 HydrophobicContact CB-CD2 4.04Å; P96-Y156 HydrophobicContact CB-CE2 3.76Å; P96-Y156 WeakPolarHBondContact O-CE2 3.4Å; P96-Y156 PolarHBondContact O-OH 3.12Å; P96-K159 HydrophobicContact CB-CB 4.19Å; P96-K159 HydrophobicContact CG-CB 3.8Å; P96-L160 HydrophobicContact CB-CD2 4.39Å; P96-L160 HydrophobicContact CG-CD2 4.42Å; P96-W163 HydrophobicContact CG-CB 4.39Å
97	K	94.5	Very high	96	Very high	162 Å²	162	57.2 Å²	57.2	70%	0.704	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-85.2	143.9	174.3	-67.8	-179.7	-178.5	174.6	0	111.2	Y91 Y156	Y91-K97 HydrophobicContact CD1-CG 3.95Å; Y91-K97 HydrophobicContact CE1-CG 4.03Å; K97-Y156 WeakPolarHBondContact O-CD2 3.22Å; K97-Y156 WeakPolarHBondContact O-CE2 3.32Å
98	S	93.2	Very high	95.9	Very high	74 Å²	74	57 Å²	57	52%	0.517	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-59.8	131.5	178.7	-176	0	0	0	0	111.2
99	P	93.9	Very high	95.6	Very high	28 Å²	28	58.1 Å²	58.1	18%	0.182	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-74.3	171.7	171.9	34.5	-38.4	0	0	0	110.9	N101 L152 Y156	P99-N101 PolarHBondContact O-N 3.4Å; P99-L152 HydrophobicContact CB-CB 3.93Å; P99-L152 HydrophobicContact CG-CB 4.21Å; P99-L152 WeakPolarHBondContact CG-O 3.14Å; P99-Y156 HydrophobicContact CG-CD1 4.45Å; P99-Y156 HydrophobicContact CG-CG 4.06Å
100	P	94.2	Very high	95.5	Very high	21 Å²	21	59.9 Å²	59.9	14%	0.136	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-50.4	129.6	161	-25.6	35.8	0	0	0	111	K105 V106 K109	P100-K105 HydrophobicContact CB-CB 3.78Å; P100-V106 HydrophobicContact CB-CB 4.43Å; P100-V106 HydrophobicContact CB-CG2 3.67Å; P100-V106 HydrophobicContact CG-CG2 4.42Å; P100-K109 HydrophobicContact CG-CB 4.47Å; P100-K109 HydrophobicContact CG-CD 3.79Å
101	N	90.4	Very high	95.1	Very high	97 Å²	97	64.6 Å²	64.6	52%	0.519	32%	0.324	S	S	.	.			trans	-111.3	13.3	-172.8	71	-19.9	0	0	0	114.2	P99 K105	P99-N101 PolarHBondContact O-N 3.4Å; N101-K105 VanDerWaalsContact OD1-CD 3.23Å; N101-K105 WeakPolarHBondContact OD1-CD 3.39Å; N101-K105 WeakPolarHBondContact OD1-CE 3.47Å; N101-K105 PolarHBondContact OD1-NZ 3.24Å
102	S	95.1	Very high	94.8	Very high	39 Å²	39	62.9 Å²	62.9	27%	0.273	32%	0.32	S	S	.	.	S	Bend	trans	-151.5	156.6	172.8	65.2	0	0	0	0	109.4	L104 K105 V106 A149	S102-L104 VanDerWaalsContact C-N 3.3Å; S102-L104 PolarHBondContact O-N 3.42Å; S102-K105 PolarHBondContact O-N 3.47Å; S102-K105 WeakPolarHBondContact OG-CG 3.5Å; S102-K105 PolarHBondContact OG-N 3.45Å; S102-V106 PolarHBondContact O-N 3.48Å; S102-V106 VanDerWaalsContact O-N 3.13Å; S102-A149 VanDerWaalsContact C-CB 3.47Å
103	G	95.9	Very high	94.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-56.3	-44	178.8	0	0	0	0	0	112.5	K105 V106 F107 Y145 N146	G103-K105 VanDerWaalsContact C-N 3.26Å; G103-K105 PolarHBondContact O-N 3.08Å; G103-V106 WeakPolarHBondContact O-CB 3.45Å; G103-V106 PolarHBondContact O-N 3.48Å; G103-F107 WeakPolarHBondContact O-CB 3.41Å; G103-F107 PolarHBondContact O-N 3.24Å; G103-Y145 VanDerWaalsContact CA-C 3.45Å; G103-Y145 WeakPolarHBondContact CA-O 3.21Å; G103-N146 WeakPolarHBondContact CA-OD1 3.49Å; G103-N146 PolarHBondContact N-OD1 2.88Å
104	L	96.3	Very high	93.5	Very high	49 Å²	49	63 Å²	63	26%	0.257	33%	0.328	S	S	.	.	H	α-helix	trans	-52.2	-41.7	173.4	176.9	62.2	0	0	0	113.1	S102 M108 W134	S102-L104 VanDerWaalsContact C-N 3.3Å; S102-L104 PolarHBondContact O-N 3.42Å; L104-M108 HydrophobicContact CD1-CE 3.7Å; L104-M108 HydrophobicContact CD1-CG 4.14Å; L104-M108 HydrophobicContact CD1-SD 4.13Å; L104-M108 HydrophobicContact CD2-CE 4.09Å; L104-M108 HydrophobicContact CG-CE 3.9Å; L104-M108 HydrophobicContact CG-CG 4.41Å; L104-M108 HydrophobicContact CG-SD 3.93Å; L104-M108 VanDerWaalsContact O-CB 3.31Å; L104-M108 WeakPolarHBondContact O-CB 3.46Å; L104-M108 WeakPolarHBondContact O-CG 3.39Å; L104-M108 PolarHBondContact O-N 3.09Å; L104-W134 HydrophobicContact CB-CD2 4.17Å; L104-W134 HydrophobicContact CB-CZ2 4.38Å; L104-W134 HydrophobicContact CD1-CB 3.63Å; L104-W134 HydrophobicContact CD1-CD2 3.82Å; L104-W134 HydrophobicContact CD1-CE3 4.45Å; L104-W134 HydrophobicContact CD1-CG 3.4Å; L104-W134 VanDerWaalsContact CD1-CG 3.4Å
105	K	95.9	Very high	92.8	Very high	104 Å²	104	61.3 Å²	61.3	45%	0.452	31%	0.308	S	S	.	.	H	α-helix	trans	-74.8	-31	-179.4	-72.2	179.6	-177.7	178.9	0	112.4	P100 N101 S102 G103 K109	P100-K105 HydrophobicContact CB-CB 3.78Å; N101-K105 VanDerWaalsContact OD1-CD 3.23Å; N101-K105 WeakPolarHBondContact OD1-CD 3.39Å; N101-K105 WeakPolarHBondContact OD1-CE 3.47Å; N101-K105 PolarHBondContact OD1-NZ 3.24Å; S102-K105 PolarHBondContact O-N 3.47Å; S102-K105 WeakPolarHBondContact OG-CG 3.5Å; S102-K105 PolarHBondContact OG-N 3.45Å; G103-K105 VanDerWaalsContact C-N 3.26Å; G103-K105 PolarHBondContact O-N 3.08Å; K105-K109 WeakPolarHBondContact O-CB 3.28Å; K105-K109 PolarHBondContact O-N 3.42Å
106	V	97	Very high	91.9	Very high	12 Å²	12	70.1 Å²	70.1	7%	0.073	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-52.5	171.9	177.8	0	0	0	0	108.6	P100 S102 G103 M108 K109 E110 Y145 M148 A149 L152	P100-V106 HydrophobicContact CB-CB 4.43Å; P100-V106 HydrophobicContact CB-CG2 3.67Å; P100-V106 HydrophobicContact CG-CG2 4.42Å; S102-V106 PolarHBondContact O-N 3.48Å; S102-V106 VanDerWaalsContact O-N 3.13Å; G103-V106 WeakPolarHBondContact O-CB 3.45Å; G103-V106 PolarHBondContact O-N 3.48Å; V106-M108 PolarHBondContact O-N 2.97Å; V106-K109 WeakPolarHBondContact O-CB 3.31Å; V106-K109 PolarHBondContact O-N 2.82Å; V106-K109 VanDerWaalsContact O-N 3.14Å; V106-E110 PolarHBondContact O-N 2.77Å; V106-E110 VanDerWaalsContact O-N 3.09Å; V106-Y145 HydrophobicContact CB-CD1 4.05Å; V106-Y145 HydrophobicContact CG1-CD1 3.68Å; V106-Y145 HydrophobicContact CG1-CE1 4.12Å; V106-M148 HydrophobicContact CG1-CG 4.27Å; V106-M148 HydrophobicContact CG1-SD 3.45Å; V106-M148 WeakPolarHBondContact CG1-SD 3.43Å; V106-A149 HydrophobicContact CG2-CB 3.78Å; V106-L152 HydrophobicContact CG2-CD1 4.06Å
107	F	96.2	Very high	91.2	Very high	4 Å²	4	72.7 Å²	72.7	2%	0.018	38%	0.378	C	S	.	.	H	α-helix	trans	-55.5	-48.7	176.6	-180	-103.3	0	0	0	112.3	G103 K109 E110 K111 T130 Q133 W134 L137 Y145	G103-F107 WeakPolarHBondContact O-CB 3.41Å; G103-F107 PolarHBondContact O-N 3.24Å; F107-K109 VanDerWaalsContact C-N 3.34Å; F107-K109 PolarHBondContact O-N 3.36Å; F107-E110 WeakPolarHBondContact O-CB 3.26Å; F107-E110 PolarHBondContact O-N 3.44Å; F107-E110 VanDerWaalsContact O-N 3.12Å; F107-K111 HydrophobicContact CD1-CG 4.22Å; F107-K111 HydrophobicContact CD2-CG 4.24Å; F107-K111 HydrophobicContact CE1-CG 3.82Å; F107-K111 HydrophobicContact CE2-CD 4.2Å; F107-K111 HydrophobicContact CE2-CG 3.85Å; F107-K111 HydrophobicContact CG-CG 4.43Å; F107-K111 HydrophobicContact CZ-CD 4.17Å; F107-K111 VanDerWaalsContact CZ-CE 3.5Å; F107-K111 HydrophobicContact CZ-CG 3.63Å; F107-K111 WeakPolarHBondContact O-CG 3.29Å; F107-K111 PolarHBondContact O-N 3.39Å; F107-T130 HydrophobicContact CD1-CG2 3.86Å; F107-T130 HydrophobicContact CE1-CG2 3.71Å; F107-Q133 HydrophobicContact CE1-CB 4.12Å; F107-Q133 HydrophobicContact CZ-CB 4.01Å; F107-W134 HydrophobicContact CB-CE3 3.71Å; F107-W134 HydrophobicContact CB-CZ3 3.92Å; F107-W134 HydrophobicContact CD1-CB 4.02Å; F107-W134 AromaticContact CD1-CE3 3.99Å; F107-W134 HydrophobicContact CD1-CE3 3.99Å; F107-W134 HydrophobicContact CD2-CE3 4.39Å; F107-W134 HydrophobicContact CE1-CB 4.05Å; F107-W134 AromaticContact CG-CE3 3.78Å; F107-W134 HydrophobicContact CG-CE3 3.78Å; F107-W134 HydrophobicContact CG-CZ3 4.36Å; F107-L137 HydrophobicContact CD2-CD1 3.95Å; F107-L137 HydrophobicContact CE2-CD1 3.71Å; F107-L137 HydrophobicContact CZ-CD1 4.11Å; F107-Y145 HydrophobicContact CB-CD1 4.18Å; F107-Y145 HydrophobicContact CB-CD2 4.5Å; F107-Y145 HydrophobicContact CB-CE1 4.16Å; F107-Y145 HydrophobicContact CB-CE2 4.5Å; F107-Y145 HydrophobicContact CB-CG 4.35Å; F107-Y145 HydrophobicContact CD2-CD2 4.3Å; F107-Y145 HydrophobicContact CD2-CE1 4.23Å; F107-Y145 AromaticContact CD2-CE2 3.63Å; F107-Y145 HydrophobicContact CD2-CE2 3.63Å; F107-Y145 AromaticContact CD2-CZ 3.6Å; F107-Y145 HydrophobicContact CE2-CE2 4.36Å
108	M	94.2	Very high	90.7	Very high	21 Å²	21	66.3 Å²	66.3	10%	0.103	35%	0.353	C	S	.	.	H	α-helix	trans	-59.8	-42.2	176.6	-78.8	172.9	165.7	0	0	112.6	L104 V106 E110 K111 L112 F127 T130 I131	L104-M108 HydrophobicContact CD1-CE 3.7Å; L104-M108 HydrophobicContact CD1-CG 4.14Å; L104-M108 HydrophobicContact CD1-SD 4.13Å; L104-M108 HydrophobicContact CD2-CE 4.09Å; L104-M108 HydrophobicContact CG-CE 3.9Å; L104-M108 HydrophobicContact CG-CG 4.41Å; L104-M108 HydrophobicContact CG-SD 3.93Å; L104-M108 VanDerWaalsContact O-CB 3.31Å; L104-M108 WeakPolarHBondContact O-CB 3.46Å; L104-M108 WeakPolarHBondContact O-CG 3.39Å; L104-M108 PolarHBondContact O-N 3.09Å; V106-M108 PolarHBondContact O-N 2.97Å; M108-E110 PolarHBondContact O-N 3.06Å; M108-K111 PolarHBondContact O-N 3.16Å; M108-L112 HydrophobicContact CB-CD1 4.43Å; M108-L112 WeakPolarHBondContact O-CB 3.48Å; M108-L112 WeakPolarHBondContact O-CG 3.3Å; M108-L112 PolarHBondContact O-N 2.96Å; M108-F127 HydrophobicContact CE-CD2 3.96Å; M108-F127 HydrophobicContact CE-CE1 4.46Å; M108-F127 HydrophobicContact CE-CE2 3.36Å; M108-F127 HydrophobicContact CE-CZ 3.66Å; M108-F127 HydrophobicContact SD-CD2 4.38Å; M108-F127 HydrophobicContact SD-CE2 3.7Å; M108-F127 HydrophobicContact SD-CZ 4.38Å; M108-T130 HydrophobicContact CB-CG2 4.39Å; M108-T130 HydrophobicContact CG-CG2 3.7Å; M108-I131 HydrophobicContact CE-CD1 3.89Å; M108-I131 HydrophobicContact CE-CG1 3.28Å
109	K	92.7	Very high	90.5	Very high	144 Å²	144	66 Å²	66	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-62.7	-33.7	178	-176.8	-175.4	173.3	-165.3	0	111.4	P100 K105 V106 F107 K113	P100-K109 HydrophobicContact CG-CB 4.47Å; P100-K109 HydrophobicContact CG-CD 3.79Å; K105-K109 WeakPolarHBondContact O-CB 3.28Å; K105-K109 PolarHBondContact O-N 3.42Å; V106-K109 WeakPolarHBondContact O-CB 3.31Å; V106-K109 PolarHBondContact O-N 2.82Å; V106-K109 VanDerWaalsContact O-N 3.14Å; F107-K109 VanDerWaalsContact C-N 3.34Å; F107-K109 PolarHBondContact O-N 3.36Å; K109-K113 PolarHBondContact O-N 3.14Å
110	E	93.8	Very high	90.2	Very high	87 Å²	87	70.1 Å²	70.1	41%	0.407	37%	0.373	S	S	.	.	H	α-helix	trans	-73.1	-49.3	176.7	-168.5	-166.4	140.7	0	0	111.8	V106 F107 M108 K113 Y145	V106-E110 PolarHBondContact O-N 2.77Å; V106-E110 VanDerWaalsContact O-N 3.09Å; F107-E110 WeakPolarHBondContact O-CB 3.26Å; F107-E110 PolarHBondContact O-N 3.44Å; F107-E110 VanDerWaalsContact O-N 3.12Å; M108-E110 PolarHBondContact O-N 3.06Å; E110-K113 WeakPolarHBondContact O-CD 3.44Å; E110-K113 WeakPolarHBondContact O-CG 3.21Å; E110-Y145 WeakPolarHBondContact OE2-CE1 3.45Å; E110-Y145 PolarHBondContact OE2-OH 3.03Å
111	K	91.2	Very high	89.9	Confident	99 Å²	99	73.2 Å²	73.2	43%	0.43	40%	0.396	S	S	.	.	H	α-helix	trans	-71.6	-30.2	-177.6	-63.9	-56.8	-177.5	-168.6	0	113.7	F107 M108 T130	F107-K111 HydrophobicContact CD1-CG 4.22Å; F107-K111 HydrophobicContact CD2-CG 4.24Å; F107-K111 HydrophobicContact CE1-CG 3.82Å; F107-K111 HydrophobicContact CE2-CD 4.2Å; F107-K111 HydrophobicContact CE2-CG 3.85Å; F107-K111 HydrophobicContact CG-CG 4.43Å; F107-K111 HydrophobicContact CZ-CD 4.17Å; F107-K111 VanDerWaalsContact CZ-CE 3.5Å; F107-K111 HydrophobicContact CZ-CG 3.63Å; F107-K111 WeakPolarHBondContact O-CG 3.29Å; F107-K111 PolarHBondContact O-N 3.39Å; M108-K111 PolarHBondContact O-N 3.16Å; K111-T130 HydrophobicContact CB-CG2 4.03Å; K111-T130 HydrophobicContact CG-CG2 4.38Å
112	L	90.1	Very high	89.7	Confident	38 Å²	38	73.4 Å²	73.4	20%	0.199	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	20.6	-178.7	-54.9	175.7	0	0	0	112.6	M108 D114 S115 E126 F127	M108-L112 HydrophobicContact CB-CD1 4.43Å; M108-L112 WeakPolarHBondContact O-CB 3.48Å; M108-L112 WeakPolarHBondContact O-CG 3.3Å; M108-L112 PolarHBondContact O-N 2.96Å; L112-D114 VanDerWaalsContact C-N 3.27Å; L112-D114 PolarHBondContact O-N 3.34Å; L112-S115 PolarHBondContact O-OG 3.42Å; L112-E126 HydrophobicContact CD2-CB 3.81Å; L112-F127 HydrophobicContact CD1-CD2 4.4Å
113	K	86.9	Confident	89.3	Confident	129 Å²	129	75.5 Å²	75.5	56%	0.561	40%	0.4	S	S	*	.	S	Bend	trans	-66.3	-32.4	-179.6	71.3	-174.2	-179.3	-179.2	0	112.5	K109 E110	K109-K113 PolarHBondContact O-N 3.14Å; E110-K113 WeakPolarHBondContact O-CD 3.44Å; E110-K113 WeakPolarHBondContact O-CG 3.21Å
114	D	81.9	Confident	89	Confident	131 Å²	131	84.6 Å²	84.6	70%	0.701	43%	0.434	S	S	*	.	S	Bend	trans	-94.1	-7	-174.5	-58.8	-46	0	0	0	112.7	L112 K116	L112-D114 VanDerWaalsContact C-N 3.27Å; L112-D114 PolarHBondContact O-N 3.34Å; D114-K116 PolarHBondContact O-N 3.04Å
115	S	81.7	Confident	88.7	Confident	17 Å²	17	84.9 Å²	84.9	12%	0.119	44%	0.44	C	S	.	.			trans	-77.4	22.2	-179.4	73.4	0	0	0	0	114.1	L112 G117 T118 E126	L112-S115 PolarHBondContact O-OG 3.42Å; S115-G117 PolarHBondContact O-N 3.15Å; S115-T118 WeakPolarHBondContact CA-OG1 3.25Å; S115-T118 WeakPolarHBondContact O-CB 3.29Å; S115-T118 PolarHBondContact O-OG1 3.42Å; S115-E126 WeakPolarHBondContact CB-OE2 3.43Å
116	K	78.2	Confident	88.4	Confident	189 Å²	189	83 Å²	83	82%	0.822	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	118.8	179.8	-72.4	-176.5	-174.6	170.5	0	109.4	D114	D114-K116 PolarHBondContact O-N 3.04Å
117	G	82.2	Confident	88.1	Confident	82 Å²	82	87 Å²	87	85%	0.845	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.8	-5.8	-178.2	0	0	0	0	0	113.8	S115	S115-G117 PolarHBondContact O-N 3.15Å
118	T	84.8	Confident	88	Confident	28 Å²	28	93.1 Å²	93.1	17%	0.172	48%	0.476	C	S	.	.			trans	-60.9	135.4	173.4	-53.7	0	0	0	0	111.1	S115 E122	S115-T118 WeakPolarHBondContact CA-OG1 3.25Å; S115-T118 WeakPolarHBondContact O-CB 3.29Å; S115-T118 PolarHBondContact O-OG1 3.42Å; T118-E122 HydrophobicContact CG2-CB 3.3Å; T118-E122 HydrophobicContact CG2-CG 4.4Å
119	P	88.1	Confident	88	Confident	66 Å²	66	95.4 Å²	95.4	43%	0.429	49%	0.489	S	S	.	.			trans	-53.5	148.9	173.1	-26.2	34.7	0	0	0	112.5	S121 E122 M123	P119-S121 PolarHBondContact O-N 3.43Å; P119-S121 VanDerWaalsContact O-N 3.11Å; P119-E122 PolarHBondContact O-N 3.25Å; P119-E122 VanDerWaalsContact O-N 3.09Å; P119-M123 PolarHBondContact O-N 2.77Å
120	V	86.9	Confident	88	Confident	115 Å²	115	88.8 Å²	88.8	70%	0.697	46%	0.46	S	S	*	.	H	α-helix	trans	-57.5	-31.7	-176.9	177	0	0	0	0	112.7	R124	V120-R124 PolarHBondContact O-N 2.65Å
121	S	88.2	Confident	88.1	Confident	87 Å²	87	87.2 Å²	87.2	61%	0.608	45%	0.454	S	S	*	.	H	α-helix	trans	-63.8	-49.5	175.9	45.5	0	0	0	0	112.3	P119 R124 S125	P119-S121 PolarHBondContact O-N 3.43Å; P119-S121 VanDerWaalsContact O-N 3.11Å; S121-R124 WeakPolarHBondContact O-CB 3.18Å; S121-R124 PolarHBondContact O-N 3.24Å; S121-S125 PolarHBondContact O-N 3.03Å
122	E	86.9	Confident	88.4	Confident	100 Å²	100	87.6 Å²	87.6	47%	0.467	46%	0.456	S	S	.	.	H	α-helix	trans	-68	-38.9	179.2	-76.9	170.3	-135.2	0	0	111.4	T118 P119 R124 S125 E126	T118-E122 HydrophobicContact CG2-CB 3.3Å; T118-E122 HydrophobicContact CG2-CG 4.4Å; P119-E122 PolarHBondContact O-N 3.25Å; P119-E122 VanDerWaalsContact O-N 3.09Å; E122-R124 PolarHBondContact O-N 3.25Å; E122-S125 WeakPolarHBondContact CA-OG 3.49Å; E122-S125 PolarHBondContact O-N 2.84Å; E122-S125 VanDerWaalsContact O-N 3.09Å; E122-S125 PolarHBondContact O-OG 3.48Å; E122-E126 WeakPolarHBondContact O-CG 3.48Å; E122-E126 PolarHBondContact O-N 3.01Å
123	M	86.2	Confident	88.6	Confident	83 Å²	83	90.3 Å²	90.3	41%	0.409	47%	0.468	S	S	.	.	H	α-helix	trans	-59.5	-34.2	174.2	-171.8	-179.5	-64.7	0	0	112	P119 F127	P119-M123 PolarHBondContact O-N 2.77Å; M123-F127 WeakPolarHBondContact O-CB 3.31Å; M123-F127 PolarHBondContact O-N 3.11Å
124	R	88.9	Confident	89.1	Confident	192 Å²	192	85.1 Å²	85.1	73%	0.725	44%	0.444	S	S	*	.	H	α-helix	trans	-68	-41.5	175.9	-172.2	-175.1	-65.4	-173	0.3	111.6	V120 S121 E122 K128	V120-R124 PolarHBondContact O-N 2.65Å; S121-R124 WeakPolarHBondContact O-CB 3.18Å; S121-R124 PolarHBondContact O-N 3.24Å; E122-R124 PolarHBondContact O-N 3.25Å; R124-K128 PolarHBondContact O-N 3.36Å; R124-K128 VanDerWaalsContact O-N 3.08Å
125	S	90	Very high	89.7	Confident	55 Å²	55	85.4 Å²	85.4	39%	0.385	44%	0.443	S	S	.	.	H	α-helix	trans	-66.5	-48	175.4	38.3	0	0	0	0	111.6	S121 E122 F127 K128 D129	S121-S125 PolarHBondContact O-N 3.03Å; E122-S125 WeakPolarHBondContact CA-OG 3.49Å; E122-S125 PolarHBondContact O-N 2.84Å; E122-S125 VanDerWaalsContact O-N 3.09Å; E122-S125 PolarHBondContact O-OG 3.48Å; S125-F127 VanDerWaalsContact C-N 3.27Å; S125-F127 PolarHBondContact O-N 3.09Å; S125-K128 WeakPolarHBondContact O-CB 3.48Å; S125-K128 PolarHBondContact O-N 2.86Å; S125-D129 PolarHBondContact O-N 3.27Å
126	E	90.2	Very high	90.4	Very high	63 Å²	63	89.5 Å²	89.5	29%	0.294	47%	0.472	S	S	.	.	H	α-helix	trans	-57.2	-41.9	177	-72	178.5	172.5	0	0	111.6	L112 S115 E122 D129 T130	L112-E126 HydrophobicContact CD2-CB 3.81Å; S115-E126 WeakPolarHBondContact CB-OE2 3.43Å; E122-E126 WeakPolarHBondContact O-CG 3.48Å; E122-E126 PolarHBondContact O-N 3.01Å; E126-D129 PolarHBondContact O-N 3.46Å; E126-T130 VanDerWaalsContact O-CB 3.29Å; E126-T130 WeakPolarHBondContact O-CB 3.27Å; E126-T130 PolarHBondContact O-N 3.09Å; E126-T130 PolarHBondContact O-OG1 3.19Å
127	F	91.3	Very high	91.3	Very high	98 Å²	98	82.4 Å²	82.4	43%	0.43	44%	0.443	S	S	.	.	H	α-helix	trans	-61.9	-46.2	175.6	-177	-97.7	0	0	0	112	M108 L112 M123 S125 D129 T130 I131	M108-F127 HydrophobicContact CE-CD2 3.96Å; M108-F127 HydrophobicContact CE-CE1 4.46Å; M108-F127 HydrophobicContact CE-CE2 3.36Å; M108-F127 HydrophobicContact CE-CZ 3.66Å; M108-F127 HydrophobicContact SD-CD2 4.38Å; M108-F127 HydrophobicContact SD-CE2 3.7Å; M108-F127 HydrophobicContact SD-CZ 4.38Å; L112-F127 HydrophobicContact CD1-CD2 4.4Å; M123-F127 WeakPolarHBondContact O-CB 3.31Å; M123-F127 PolarHBondContact O-N 3.11Å; S125-F127 VanDerWaalsContact C-N 3.27Å; S125-F127 PolarHBondContact O-N 3.09Å; F127-D129 VanDerWaalsContact C-N 3.33Å; F127-D129 PolarHBondContact O-N 2.71Å; F127-T130 PolarHBondContact O-N 3.11Å; F127-I131 HydrophobicContact CD1-CD1 3.78Å; F127-I131 HydrophobicContact CE1-CD1 3.28Å; F127-I131 HydrophobicContact CE1-CG1 4.32Å; F127-I131 HydrophobicContact CZ-CD1 3.75Å; F127-I131 WeakPolarHBondContact O-CG1 3.27Å; F127-I131 PolarHBondContact O-N 3.08Å
128	K	93.5	Very high	91.9	Very high	132 Å²	132	81.8 Å²	81.8	57%	0.574	42%	0.424	S	S	*	.	H	α-helix	trans	-61.6	-43.2	177.6	-175	-179.2	-178.9	-178.5	0	111.1	R124 S125 I131 K132	R124-K128 PolarHBondContact O-N 3.36Å; R124-K128 VanDerWaalsContact O-N 3.08Å; S125-K128 WeakPolarHBondContact O-CB 3.48Å; S125-K128 PolarHBondContact O-N 2.86Å; K128-I131 PolarHBondContact O-N 3.21Å; K128-K132 PolarHBondContact O-N 2.92Å; K128-K132 VanDerWaalsContact O-N 3.11Å
129	D	93.6	Very high	92.5	Very high	68 Å²	68	88.5 Å²	88.5	36%	0.364	45%	0.453	S	S	.	.	H	α-helix	trans	-72.7	-34.8	-178.6	-66.7	-27.5	0	0	0	112	S125 E126 F127 I131 K132 Q133	S125-D129 PolarHBondContact O-N 3.27Å; E126-D129 PolarHBondContact O-N 3.46Å; F127-D129 VanDerWaalsContact C-N 3.33Å; F127-D129 PolarHBondContact O-N 2.71Å; D129-I131 VanDerWaalsContact C-N 3.33Å; D129-I131 PolarHBondContact O-N 2.7Å; D129-K132 WeakPolarHBondContact O-CB 3.33Å; D129-K132 PolarHBondContact O-N 2.89Å; D129-K132 IonicContact OD1-NZ 3Å; D129-K132 PolarHBondContact OD1-NZ 3.48Å; D129-Q133 WeakPolarHBondContact O-CG 3.35Å; D129-Q133 PolarHBondContact O-N 2.91Å
130	T	94.4	Very high	92.9	Very high	5 Å²	5	89 Å²	89	3%	0.031	46%	0.458	C	S	.	.	H	α-helix	trans	-62.1	-39.7	170.8	-57.5	0	0	0	0	111.6	F107 M108 K111 E126 F127 Q133 W134	F107-T130 HydrophobicContact CD1-CG2 3.86Å; F107-T130 HydrophobicContact CE1-CG2 3.71Å; M108-T130 HydrophobicContact CB-CG2 4.39Å; M108-T130 HydrophobicContact CG-CG2 3.7Å; K111-T130 HydrophobicContact CB-CG2 4.03Å; K111-T130 HydrophobicContact CG-CG2 4.38Å; E126-T130 VanDerWaalsContact O-CB 3.29Å; E126-T130 WeakPolarHBondContact O-CB 3.27Å; E126-T130 PolarHBondContact O-N 3.09Å; E126-T130 PolarHBondContact O-OG1 3.19Å; F127-T130 PolarHBondContact O-N 3.11Å; T130-Q133 PolarHBondContact O-N 3.31Å; T130-W134 PolarHBondContact O-N 2.9Å
131	I	95.4	Very high	93.4	Very high	54 Å²	54	86.3 Å²	86.3	28%	0.277	44%	0.44	S	S	.	.	H	α-helix	trans	-62.8	-44.6	174.2	-70.6	171.4	0	0	0	110.9	M108 F127 K128 D129 Q133 W134 M135	M108-I131 HydrophobicContact CE-CD1 3.89Å; M108-I131 HydrophobicContact CE-CG1 3.28Å; F127-I131 HydrophobicContact CD1-CD1 3.78Å; F127-I131 HydrophobicContact CE1-CD1 3.28Å; F127-I131 HydrophobicContact CE1-CG1 4.32Å; F127-I131 HydrophobicContact CZ-CD1 3.75Å; F127-I131 WeakPolarHBondContact O-CG1 3.27Å; F127-I131 PolarHBondContact O-N 3.08Å; K128-I131 PolarHBondContact O-N 3.21Å; D129-I131 VanDerWaalsContact C-N 3.33Å; D129-I131 PolarHBondContact O-N 2.7Å; I131-Q133 VanDerWaalsContact C-N 3.33Å; I131-Q133 PolarHBondContact O-N 3.02Å; I131-W134 WeakPolarHBondContact O-CB 3.33Å; I131-W134 PolarHBondContact O-N 3.47Å; I131-M135 HydrophobicContact CG2-CG 4.42Å; I131-M135 WeakPolarHBondContact O-CG 3.41Å; I131-M135 PolarHBondContact O-N 3.49Å
132	K	96.1	Very high	93.8	Very high	108 Å²	108	84.2 Å²	84.2	47%	0.47	42%	0.421	S	S	.	.	H	α-helix	trans	-60.4	-45.4	177.1	-68.9	172.7	-173.9	162	0	111.2	K128 D129 W134 M135 S136	K128-K132 PolarHBondContact O-N 2.92Å; K128-K132 VanDerWaalsContact O-N 3.11Å; D129-K132 WeakPolarHBondContact O-CB 3.33Å; D129-K132 PolarHBondContact O-N 2.89Å; D129-K132 IonicContact OD1-NZ 3Å; D129-K132 PolarHBondContact OD1-NZ 3.48Å; K132-W134 VanDerWaalsContact C-N 3.31Å; K132-W134 PolarHBondContact O-N 3.26Å; K132-M135 PolarHBondContact O-N 3.36Å; K132-M135 VanDerWaalsContact O-N 3.15Å; K132-S136 PolarHBondContact O-N 3.14Å; K132-S136 PolarHBondContact O-OG 2.83Å
133	Q	96	Very high	94.3	Very high	95 Å²	95	84 Å²	84	44%	0.444	42%	0.422	S	S	.	.	H	α-helix	trans	-57.2	-45.7	176.5	-72.3	174.9	37.8	0	0	111.2	F107 D129 T130 I131 M135 S136 L137	F107-Q133 HydrophobicContact CE1-CB 4.12Å; F107-Q133 HydrophobicContact CZ-CB 4.01Å; D129-Q133 WeakPolarHBondContact O-CG 3.35Å; D129-Q133 PolarHBondContact O-N 2.91Å; T130-Q133 PolarHBondContact O-N 3.31Å; I131-Q133 VanDerWaalsContact C-N 3.33Å; I131-Q133 PolarHBondContact O-N 3.02Å; Q133-M135 PolarHBondContact O-N 2.87Å; Q133-S136 CarbonylContact O-C 3.54Å; Q133-S136 PolarHBondContact O-N 3.05Å; Q133-S136 VanDerWaalsContact O-N 3.16Å; Q133-L137 WeakPolarHBondContact O-CG 3.42Å; Q133-L137 PolarHBondContact O-N 2.96Å; Q133-L137 VanDerWaalsContact O-N 3.1Å
134	W	96.6	Very high	94.8	Very high	19 Å²	19	86 Å²	86	7%	0.072	43%	0.431	C	S	.	.	H	α-helix	trans	-58.1	-45.3	175.2	172.4	-92.9	0	0	0	112.7	L104 F107 T130 I131 K132 S136 L137 Q142 Y145	L104-W134 HydrophobicContact CB-CD2 4.17Å; L104-W134 HydrophobicContact CB-CZ2 4.38Å; L104-W134 HydrophobicContact CD1-CB 3.63Å; L104-W134 HydrophobicContact CD1-CD2 3.82Å; L104-W134 HydrophobicContact CD1-CE3 4.45Å; L104-W134 HydrophobicContact CD1-CG 3.4Å; L104-W134 VanDerWaalsContact CD1-CG 3.4Å; F107-W134 HydrophobicContact CB-CE3 3.71Å; F107-W134 HydrophobicContact CB-CZ3 3.92Å; F107-W134 HydrophobicContact CD1-CB 4.02Å; F107-W134 AromaticContact CD1-CE3 3.99Å; F107-W134 HydrophobicContact CD1-CE3 3.99Å; F107-W134 HydrophobicContact CD2-CE3 4.39Å; F107-W134 HydrophobicContact CE1-CB 4.05Å; F107-W134 AromaticContact CG-CE3 3.78Å; F107-W134 HydrophobicContact CG-CE3 3.78Å; F107-W134 HydrophobicContact CG-CZ3 4.36Å; T130-W134 PolarHBondContact O-N 2.9Å; I131-W134 WeakPolarHBondContact O-CB 3.33Å; I131-W134 PolarHBondContact O-N 3.47Å; K132-W134 VanDerWaalsContact C-N 3.31Å; K132-W134 PolarHBondContact O-N 3.26Å; W134-S136 PolarHBondContact O-N 3.12Å; W134-L137 HydrophobicContact CE3-CD1 3.78Å; W134-L137 HydrophobicContact CZ3-CD1 4.2Å; W134-L137 WeakPolarHBondContact O-CB 3.18Å; W134-L137 PolarHBondContact O-N 3Å; W134-L137 VanDerWaalsContact O-N 3.16Å; W134-Q142 HydrophobicContact CD2-CG 4.37Å; W134-Q142 HydrophobicContact CE3-CG 4.47Å; W134-Q142 HydrophobicContact CH2-CB 3.73Å; W134-Q142 HydrophobicContact CH2-CG 3.88Å; W134-Q142 HydrophobicContact CZ2-CB 3.79Å; W134-Q142 HydrophobicContact CZ2-CG 3.75Å; W134-Q142 HydrophobicContact CZ3-CB 4.42Å; W134-Q142 HydrophobicContact CZ3-CG 4.23Å; W134-Q142 PolarHBondContact O-NE2 3.45Å; W134-Y145 AromaticContact CZ3-CD2 3.84Å; W134-Y145 HydrophobicContact CZ3-CD2 3.84Å; W134-Y145 AromaticContact CZ3-CG 3.95Å; W134-Y145 HydrophobicContact CZ3-CG 3.95Å
135	M	95.3	Very high	95.3	Very high	137 Å²	137	78.5 Å²	78.5	68%	0.675	40%	0.403	S	S	*	.	H	α-helix	trans	-66	-26.7	179	-65.5	-60.2	-167.1	0	0	112.8	I131 K132 Q133	I131-M135 HydrophobicContact CG2-CG 4.42Å; I131-M135 WeakPolarHBondContact O-CG 3.41Å; I131-M135 PolarHBondContact O-N 3.49Å; K132-M135 PolarHBondContact O-N 3.36Å; K132-M135 VanDerWaalsContact O-N 3.15Å; Q133-M135 PolarHBondContact O-N 2.87Å
136	S	96.2	Very high	95.6	Very high	104 Å²	104	78.8 Å²	78.8	73%	0.727	40%	0.4	S	S	*	.	H	α-helix	trans	-86.9	-6.2	176.1	-59.6	0	0	0	0	113.8	K132 Q133 W134	K132-S136 PolarHBondContact O-N 3.14Å; K132-S136 PolarHBondContact O-OG 2.83Å; Q133-S136 CarbonylContact O-C 3.54Å; Q133-S136 PolarHBondContact O-N 3.05Å; Q133-S136 VanDerWaalsContact O-N 3.16Å; W134-S136 PolarHBondContact O-N 3.12Å
137	L	95.4	Very high	96	Very high	39 Å²	39	78.8 Å²	78.8	20%	0.204	40%	0.402	C	S	.	.	S	Bend	trans	-69.9	142.3	176.5	-75.3	176.4	0	0	0	110.8	F107 Q133 W134 Q142 Y145	F107-L137 HydrophobicContact CD2-CD1 3.95Å; F107-L137 HydrophobicContact CE2-CD1 3.71Å; F107-L137 HydrophobicContact CZ-CD1 4.11Å; Q133-L137 WeakPolarHBondContact O-CG 3.42Å; Q133-L137 PolarHBondContact O-N 2.96Å; Q133-L137 VanDerWaalsContact O-N 3.1Å; W134-L137 HydrophobicContact CE3-CD1 3.78Å; W134-L137 HydrophobicContact CZ3-CD1 4.2Å; W134-L137 WeakPolarHBondContact O-CB 3.18Å; W134-L137 PolarHBondContact O-N 3Å; W134-L137 VanDerWaalsContact O-N 3.16Å; L137-Q142 HydrophobicContact CB-CG 3.89Å; L137-Q142 PolarHBondContact O-NE2 3.31Å; L137-Y145 HydrophobicContact CD1-CD2 4.46Å; L137-Y145 HydrophobicContact CD1-CE2 4.32Å
138	P	96.7	Very high	96.2	Very high	69 Å²	69	77.9 Å²	77.9	45%	0.448	40%	0.4	S	S	.	.			trans	-52.4	148.4	168	-24.7	34	0	0	0	112.4	S140 D141 Q142	P138-S140 PolarHBondContact O-N 3.39Å; P138-D141 PolarHBondContact O-N 3.21Å; P138-D141 VanDerWaalsContact O-N 3.1Å; P138-Q142 PolarHBondContact O-N 3.37Å; P138-Q142 VanDerWaalsContact O-N 3.1Å
139	E	96.2	Very high	96.4	Very high	170 Å²	170	71.8 Å²	71.8	79%	0.794	37%	0.374	S	S	*	.	H	α-helix	trans	-59.7	-31.2	178.7	-66.2	-172.9	172.5	0	0	112.6	L143	E139-L143 VanDerWaalsContact O-CB 3.27Å; E139-L143 WeakPolarHBondContact O-CB 3.43Å; E139-L143 PolarHBondContact O-N 3.5Å
140	S	97.1	Very high	96.6	Very high	76 Å²	76	74 Å²	74	53%	0.531	38%	0.381	S	S	.	.	H	α-helix	trans	-57.7	-47.1	173.9	52.4	0	0	0	0	112.1	P138 L143 E144	P138-S140 PolarHBondContact O-N 3.39Å; S140-L143 WeakPolarHBondContact O-CB 3.39Å; S140-L143 PolarHBondContact O-N 3.06Å; S140-E144 PolarHBondContact O-N 2.89Å
141	D	96.8	Very high	96.7	Very high	59 Å²	59	78.4 Å²	78.4	32%	0.316	40%	0.404	S	S	.	.	H	α-helix	trans	-74.7	-40	-174.8	-57.8	4.3	0	0	0	109.4	P138 L143 E144 Y145	P138-D141 PolarHBondContact O-N 3.21Å; P138-D141 VanDerWaalsContact O-N 3.1Å; D141-L143 VanDerWaalsContact C-N 3.26Å; D141-L143 PolarHBondContact O-N 3.23Å; D141-E144 WeakPolarHBondContact O-CB 3.45Å; D141-E144 PolarHBondContact O-N 3.37Å; D141-Y145 VanDerWaalsContact O-CD2 3.25Å; D141-Y145 WeakPolarHBondContact O-CD2 3.32Å; D141-Y145 PolarHBondContact O-N 2.85Å
142	Q	96.9	Very high	96.8	Very high	43 Å²	43	78.8 Å²	78.8	20%	0.201	41%	0.406	C	S	.	.	H	α-helix	trans	-59.5	-40.2	172.2	-66.4	-172.1	34.3	0	0	111.5	W134 L137 P138 N146	W134-Q142 HydrophobicContact CD2-CG 4.37Å; W134-Q142 HydrophobicContact CE3-CG 4.47Å; W134-Q142 HydrophobicContact CH2-CB 3.73Å; W134-Q142 HydrophobicContact CH2-CG 3.88Å; W134-Q142 HydrophobicContact CZ2-CB 3.79Å; W134-Q142 HydrophobicContact CZ2-CG 3.75Å; W134-Q142 HydrophobicContact CZ3-CB 4.42Å; W134-Q142 HydrophobicContact CZ3-CG 4.23Å; W134-Q142 PolarHBondContact O-NE2 3.45Å; L137-Q142 HydrophobicContact CB-CG 3.89Å; L137-Q142 PolarHBondContact O-NE2 3.31Å; P138-Q142 PolarHBondContact O-N 3.37Å; P138-Q142 VanDerWaalsContact O-N 3.1Å; Q142-N146 WeakPolarHBondContact O-CB 3.19Å; Q142-N146 VanDerWaalsContact O-CG 3.23Å; Q142-N146 PolarHBondContact O-N 2.96Å; Q142-N146 PolarHBondContact O-ND2 3.49Å
143	L	97	Very high	96.8	Very high	95 Å²	95	79.6 Å²	79.6	50%	0.497	41%	0.41	S	S	.	.	H	α-helix	trans	-64.4	-41.5	176.1	179.7	60.8	0	0	0	111.6	E139 S140 D141 N146 N147	E139-L143 VanDerWaalsContact O-CB 3.27Å; E139-L143 WeakPolarHBondContact O-CB 3.43Å; E139-L143 PolarHBondContact O-N 3.5Å; S140-L143 WeakPolarHBondContact O-CB 3.39Å; S140-L143 PolarHBondContact O-N 3.06Å; D141-L143 VanDerWaalsContact C-N 3.26Å; D141-L143 PolarHBondContact O-N 3.23Å; L143-N146 WeakPolarHBondContact O-CB 3.28Å; L143-N146 PolarHBondContact O-N 2.73Å; L143-N147 PolarHBondContact O-N 2.69Å; L143-N147 PolarHBondContact O-ND2 3.44Å
144	E	97.7	Very high	96.8	Very high	126 Å²	126	79.6 Å²	79.6	59%	0.589	41%	0.413	S	S	*	.	H	α-helix	trans	-58.8	-50.6	175.2	-172.3	-179.7	172.4	0	0	111.5	S140 D141 N146 N147 M148	S140-E144 PolarHBondContact O-N 2.89Å; D141-E144 WeakPolarHBondContact O-CB 3.45Å; D141-E144 PolarHBondContact O-N 3.37Å; E144-N146 VanDerWaalsContact C-N 3.28Å; E144-N146 PolarHBondContact O-N 2.94Å; E144-N147 PolarHBondContact O-N 3.09Å; E144-N147 VanDerWaalsContact O-N 3.07Å; E144-M148 PolarHBondContact O-N 2.93Å
145	Y	98.1	Very high	96.8	Very high	34 Å²	34	83 Å²	83	13%	0.133	43%	0.432	C	S	.	.	H	α-helix	trans	-59.9	-38.1	175.4	-81.9	-68.4	0	0	0	112.5	G103 V106 F107 E110 W134 L137 D141 N147 M148 A149	G103-Y145 VanDerWaalsContact CA-C 3.45Å; G103-Y145 WeakPolarHBondContact CA-O 3.21Å; V106-Y145 HydrophobicContact CB-CD1 4.05Å; V106-Y145 HydrophobicContact CG1-CD1 3.68Å; V106-Y145 HydrophobicContact CG1-CE1 4.12Å; F107-Y145 HydrophobicContact CB-CD1 4.18Å; F107-Y145 HydrophobicContact CB-CD2 4.5Å; F107-Y145 HydrophobicContact CB-CE1 4.16Å; F107-Y145 HydrophobicContact CB-CE2 4.5Å; F107-Y145 HydrophobicContact CB-CG 4.35Å; F107-Y145 HydrophobicContact CD2-CD2 4.3Å; F107-Y145 HydrophobicContact CD2-CE1 4.23Å; F107-Y145 AromaticContact CD2-CE2 3.63Å; F107-Y145 HydrophobicContact CD2-CE2 3.63Å; F107-Y145 AromaticContact CD2-CZ 3.6Å; F107-Y145 HydrophobicContact CE2-CE2 4.36Å; E110-Y145 WeakPolarHBondContact OE2-CE1 3.45Å; E110-Y145 PolarHBondContact OE2-OH 3.03Å; W134-Y145 AromaticContact CZ3-CD2 3.84Å; W134-Y145 HydrophobicContact CZ3-CD2 3.84Å; W134-Y145 AromaticContact CZ3-CG 3.95Å; W134-Y145 HydrophobicContact CZ3-CG 3.95Å; L137-Y145 HydrophobicContact CD1-CD2 4.46Å; L137-Y145 HydrophobicContact CD1-CE2 4.32Å; D141-Y145 VanDerWaalsContact O-CD2 3.25Å; D141-Y145 WeakPolarHBondContact O-CD2 3.32Å; D141-Y145 PolarHBondContact O-N 2.85Å; Y145-N147 VanDerWaalsContact C-N 3.34Å; Y145-M148 PolarHBondContact O-N 3.03Å; Y145-A149 PolarHBondContact O-N 3.26Å
146	N	97.3	Very high	96.9	Very high	60 Å²	60	77.7 Å²	77.7	32%	0.321	41%	0.405	S	S	.	.	H	α-helix	trans	-66	-35.8	175.5	-77.3	-40.3	0	0	0	112.3	G103 Q142 L143 E144 A149 K150	G103-N146 WeakPolarHBondContact CA-OD1 3.49Å; G103-N146 PolarHBondContact N-OD1 2.88Å; Q142-N146 WeakPolarHBondContact O-CB 3.19Å; Q142-N146 VanDerWaalsContact O-CG 3.23Å; Q142-N146 PolarHBondContact O-N 2.96Å; Q142-N146 PolarHBondContact O-ND2 3.49Å; L143-N146 WeakPolarHBondContact O-CB 3.28Å; L143-N146 PolarHBondContact O-N 2.73Å; E144-N146 VanDerWaalsContact C-N 3.28Å; E144-N146 PolarHBondContact O-N 2.94Å; N146-A149 PolarHBondContact O-N 3.31Å; N146-K150 WeakPolarHBondContact O-CG 3.45Å; N146-K150 PolarHBondContact O-N 2.9Å
147	N	97.5	Very high	96.9	Very high	64 Å²	64	74.5 Å²	74.5	34%	0.342	38%	0.379	S	S	.	.	H	α-helix	trans	-69	-44.5	174.1	-69.8	-24.6	0	0	0	111	L143 E144 Y145 A149 K150 D151	L143-N147 PolarHBondContact O-N 2.69Å; L143-N147 PolarHBondContact O-ND2 3.44Å; E144-N147 PolarHBondContact O-N 3.09Å; E144-N147 VanDerWaalsContact O-N 3.07Å; Y145-N147 VanDerWaalsContact C-N 3.34Å; N147-A149 PolarHBondContact O-N 3.46Å; N147-K150 WeakPolarHBondContact O-CA 3.43Å; N147-K150 WeakPolarHBondContact O-CB 3.32Å; N147-K150 PolarHBondContact O-N 3.47Å; N147-K150 PolarHBondContact OD1-NZ 3.39Å; N147-D151 PolarHBondContact O-N 2.95Å
148	M	97.2	Very high	97	Very high	79 Å²	79	75.3 Å²	75.3	39%	0.389	39%	0.391	S	S	.	.	H	α-helix	trans	-55.8	-40.3	173.1	-167.8	-175.6	-56.8	0	0	112.1	V106 E144 Y145 K150 D151 L152	V106-M148 HydrophobicContact CG1-CG 4.27Å; V106-M148 HydrophobicContact CG1-SD 3.45Å; V106-M148 WeakPolarHBondContact CG1-SD 3.43Å; E144-M148 PolarHBondContact O-N 2.93Å; Y145-M148 PolarHBondContact O-N 3.03Å; M148-K150 VanDerWaalsContact C-N 3.33Å; M148-K150 PolarHBondContact O-N 3.41Å; M148-D151 PolarHBondContact O-N 3.44Å; M148-L152 HydrophobicContact CG-CD1 4.32Å; M148-L152 WeakPolarHBondContact O-CB 3.36Å; M148-L152 VanDerWaalsContact O-CG 3.27Å; M148-L152 WeakPolarHBondContact O-CG 3.25Å; M148-L152 PolarHBondContact O-N 2.84Å
149	A	97.6	Very high	97	Very high	4 Å²	4	77.3 Å²	77.3	3%	0.033	39%	0.392	C	S	.	.	H	α-helix	trans	-65.1	-33.5	175.5	0	0	0	0	0	113.3	S102 V106 Y145 N146 N147 K153	S102-A149 VanDerWaalsContact C-CB 3.47Å; V106-A149 HydrophobicContact CG2-CB 3.78Å; Y145-A149 PolarHBondContact O-N 3.26Å; N146-A149 PolarHBondContact O-N 3.31Å; N147-A149 PolarHBondContact O-N 3.46Å; A149-K153 WeakPolarHBondContact O-CB 3.46Å; A149-K153 PolarHBondContact O-N 3.41Å; A149-K153 VanDerWaalsContact O-N 3.16Å
150	K	97.2	Very high	97.1	Very high	115 Å²	115	69.4 Å²	69.4	50%	0.5	36%	0.356	S	S	.	.	H	α-helix	trans	-68.4	-44.5	174.2	-67.8	168.7	-167.7	161	0	110.7	N146 N147 M148 K153 N154	N146-K150 WeakPolarHBondContact O-CG 3.45Å; N146-K150 PolarHBondContact O-N 2.9Å; N147-K150 WeakPolarHBondContact O-CA 3.43Å; N147-K150 WeakPolarHBondContact O-CB 3.32Å; N147-K150 PolarHBondContact O-N 3.47Å; N147-K150 PolarHBondContact OD1-NZ 3.39Å; M148-K150 VanDerWaalsContact C-N 3.33Å; M148-K150 PolarHBondContact O-N 3.41Å; K150-K153 WeakPolarHBondContact O-CB 3.14Å; K150-K153 PolarHBondContact O-N 3.36Å; K150-N154 PolarHBondContact O-N 2.91Å; K150-N154 PolarHBondContact O-ND2 3.06Å
151	D	97.1	Very high	97.2	Very high	96 Å²	96	69.9 Å²	69.9	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-64	-47.6	-179.7	-62.8	-23.6	0	0	0	110.9	N147 M148 K153 N154 D155	N147-D151 PolarHBondContact O-N 2.95Å; M148-D151 PolarHBondContact O-N 3.44Å; D151-K153 PolarHBondContact O-N 2.94Å; D151-N154 WeakPolarHBondContact O-CB 3.49Å; D151-N154 PolarHBondContact O-N 3.48Å; D151-D155 PolarHBondContact O-N 2.84Å
152	L	97.4	Very high	97.2	Very high	63 Å²	63	73.6 Å²	73.6	33%	0.33	36%	0.363	S	S	.	.	H	α-helix	trans	-56	-38.8	173.9	-73.3	172.2	0	0	0	112.4	P99 V106 M148 Y156	P99-L152 HydrophobicContact CB-CB 3.93Å; P99-L152 HydrophobicContact CG-CB 4.21Å; P99-L152 WeakPolarHBondContact CG-O 3.14Å; V106-L152 HydrophobicContact CG2-CD1 4.06Å; M148-L152 HydrophobicContact CG-CD1 4.32Å; M148-L152 WeakPolarHBondContact O-CB 3.36Å; M148-L152 VanDerWaalsContact O-CG 3.27Å; M148-L152 WeakPolarHBondContact O-CG 3.25Å; M148-L152 PolarHBondContact O-N 2.84Å; L152-Y156 VanDerWaalsContact O-CB 3.26Å; L152-Y156 WeakPolarHBondContact O-CB 3.43Å; L152-Y156 PolarHBondContact O-N 3.47Å
153	K	96	Very high	97.3	Very high	124 Å²	124	72.3 Å²	72.3	54%	0.539	36%	0.357	S	S	.	.	H	α-helix	trans	-67	-39.3	176.9	179.7	-175.4	174.8	-170.7	0	111.9	A149 K150 D151 Y156 E157	A149-K153 WeakPolarHBondContact O-CB 3.46Å; A149-K153 PolarHBondContact O-N 3.41Å; A149-K153 VanDerWaalsContact O-N 3.16Å; K150-K153 WeakPolarHBondContact O-CB 3.14Å; K150-K153 PolarHBondContact O-N 3.36Å; D151-K153 PolarHBondContact O-N 2.94Å; K153-Y156 PolarHBondContact O-N 3.18Å; K153-E157 PolarHBondContact O-N 3.43Å
154	N	95.9	Very high	97.3	Very high	96 Å²	96	67.8 Å²	67.8	51%	0.513	33%	0.333	S	S	.	.	H	α-helix	trans	-66.4	-46.5	177.1	-67.4	-22.5	0	0	0	111.1	K150 D151 Y156 E157 A158	K150-N154 PolarHBondContact O-N 2.91Å; K150-N154 PolarHBondContact O-ND2 3.06Å; D151-N154 WeakPolarHBondContact O-CB 3.49Å; D151-N154 PolarHBondContact O-N 3.48Å; N154-Y156 VanDerWaalsContact C-N 3.28Å; N154-Y156 PolarHBondContact O-N 3.26Å; N154-E157 PolarHBondContact O-N 3.35Å; N154-E157 VanDerWaalsContact O-N 3.11Å; N154-A158 PolarHBondContact O-N 2.85Å
155	D	96.6	Very high	97.3	Very high	89 Å²	89	66.6 Å²	66.6	48%	0.476	34%	0.335	S	S	.	.	H	α-helix	trans	-57.2	-42.4	173.9	-86.1	18.2	0	0	0	112.1	D151 A158 K159	D151-D155 PolarHBondContact O-N 2.84Å; D155-A158 PolarHBondContact O-N 2.96Å; D155-K159 WeakPolarHBondContact O-CB 3.46Å; D155-K159 WeakPolarHBondContact O-CG 3.49Å; D155-K159 PolarHBondContact O-N 3.35Å
156	Y	97.1	Very high	97.3	Very high	27 Å²	27	73 Å²	73	11%	0.106	36%	0.363	C	S	.	.	H	α-helix	trans	-63.9	-42.1	175.8	176.1	-116.4	0	0	0	112.4	P96 K97 P99 L152 K153 N154 A158 K159 L160 I175	P96-Y156 HydrophobicContact CB-CD2 4.04Å; P96-Y156 HydrophobicContact CB-CE2 3.76Å; P96-Y156 WeakPolarHBondContact O-CE2 3.4Å; P96-Y156 PolarHBondContact O-OH 3.12Å; K97-Y156 WeakPolarHBondContact O-CD2 3.22Å; K97-Y156 WeakPolarHBondContact O-CE2 3.32Å; P99-Y156 HydrophobicContact CG-CD1 4.45Å; P99-Y156 HydrophobicContact CG-CG 4.06Å; L152-Y156 VanDerWaalsContact O-CB 3.26Å; L152-Y156 WeakPolarHBondContact O-CB 3.43Å; L152-Y156 PolarHBondContact O-N 3.47Å; K153-Y156 PolarHBondContact O-N 3.18Å; N154-Y156 VanDerWaalsContact C-N 3.28Å; N154-Y156 PolarHBondContact O-N 3.26Å; Y156-A158 VanDerWaalsContact C-N 3.32Å; Y156-A158 PolarHBondContact O-N 3.4Å; Y156-K159 PolarHBondContact O-N 3.49Å; Y156-L160 HydrophobicContact CD1-CD1 3.97Å; Y156-L160 HydrophobicContact CD2-CG 4.36Å; Y156-L160 HydrophobicContact CE1-CD1 3.41Å; Y156-L160 VanDerWaalsContact CE1-CD1 3.41Å; Y156-L160 HydrophobicContact CE1-CG 4.19Å; Y156-L160 HydrophobicContact CE2-CD1 4.03Å; Y156-L160 HydrophobicContact CE2-CD2 4.21Å; Y156-L160 HydrophobicContact CE2-CG 3.9Å; Y156-L160 VanDerWaalsContact CZ-CD1 3.44Å; Y156-L160 WeakPolarHBondContact O-CG 3.42Å; Y156-L160 PolarHBondContact O-N 2.86Å; Y156-I175 WeakPolarHBondContact OH-CD1 3.33Å
157	E	96.4	Very high	97.3	Very high	37 Å²	37	71.9 Å²	71.9	17%	0.173	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-40.7	175.9	-173.2	170.1	150.2	0	0	111.3	K153 N154 L160 K161 Y171 K173	K153-E157 PolarHBondContact O-N 3.43Å; N154-E157 PolarHBondContact O-N 3.35Å; N154-E157 VanDerWaalsContact O-N 3.11Å; E157-L160 PolarHBondContact O-N 2.89Å; E157-K161 WeakPolarHBondContact O-CG 3.36Å; E157-K161 PolarHBondContact O-N 3.38Å; E157-K161 VanDerWaalsContact O-N 3.08Å; E157-K161 WeakPolarHBondContact OE1-CE 3.46Å; E157-K161 IonicContact OE1-NZ 2.85Å; E157-K161 PolarHBondContact OE1-NZ 2.79Å; E157-Y171 VanDerWaalsContact CG-OH 3.28Å; E157-Y171 WeakPolarHBondContact CG-OH 3.37Å; E157-K173 VanDerWaalsContact CD-NZ 3.35Å; E157-K173 WeakPolarHBondContact OE1-CE 3.43Å; E157-K173 IonicContact OE1-NZ 3.11Å; E157-K173 PolarHBondContact OE1-NZ 3.44Å; E157-K173 VanDerWaalsContact OE1-NZ 3.11Å; E157-K173 IonicContact OE2-NZ 2.8Å; E157-K173 PolarHBondContact OE2-NZ 3.2Å
158	A	97.5	Very high	97.2	Very high	56 Å²	56	76.2 Å²	76.2	46%	0.463	38%	0.38	S	S	.	.	H	α-helix	trans	-62.6	-49.9	174.9	0	0	0	0	0	111.9	N154 D155 Y156 L160 K161 E162	N154-A158 PolarHBondContact O-N 2.85Å; D155-A158 PolarHBondContact O-N 2.96Å; Y156-A158 VanDerWaalsContact C-N 3.32Å; Y156-A158 PolarHBondContact O-N 3.4Å; A158-L160 VanDerWaalsContact C-N 3.28Å; A158-L160 PolarHBondContact O-N 3.33Å; A158-K161 WeakPolarHBondContact O-CB 3.28Å; A158-K161 PolarHBondContact O-N 3.37Å; A158-K161 VanDerWaalsContact O-N 3.07Å; A158-E162 PolarHBondContact O-N 3.01Å
159	K	97.7	Very high	97.2	Very high	110 Å²	110	73.3 Å²	73.3	48%	0.478	37%	0.366	S	S	.	.	H	α-helix	trans	-59.1	-37.3	177.1	-72.9	168.1	-178.7	162.7	0	112.5	P96 D155 Y156 W163	P96-K159 HydrophobicContact CB-CB 4.19Å; P96-K159 HydrophobicContact CG-CB 3.8Å; D155-K159 WeakPolarHBondContact O-CB 3.46Å; D155-K159 WeakPolarHBondContact O-CG 3.49Å; D155-K159 PolarHBondContact O-N 3.35Å; Y156-K159 PolarHBondContact O-N 3.49Å; K159-W163 VanDerWaalsContact O-CB 3.31Å; K159-W163 WeakPolarHBondContact O-CB 3.26Å; K159-W163 PolarHBondContact O-N 3.32Å
160	L	97.6	Very high	97.2	Very high	5 Å²	5	79.6 Å²	79.6	3%	0.026	40%	0.395	C	S	.	.	H	α-helix	trans	-67.6	-39.6	174.9	-78.7	175.3	0	0	0	112.8	M95 P96 Y156 E157 A158 A164 Y171 I175 L178	M95-L160 HydrophobicContact CG-CD2 4.09Å; P96-L160 HydrophobicContact CB-CD2 4.39Å; P96-L160 HydrophobicContact CG-CD2 4.42Å; Y156-L160 HydrophobicContact CD1-CD1 3.97Å; Y156-L160 HydrophobicContact CD2-CG 4.36Å; Y156-L160 HydrophobicContact CE1-CD1 3.41Å; Y156-L160 VanDerWaalsContact CE1-CD1 3.41Å; Y156-L160 HydrophobicContact CE1-CG 4.19Å; Y156-L160 HydrophobicContact CE2-CD1 4.03Å; Y156-L160 HydrophobicContact CE2-CD2 4.21Å; Y156-L160 HydrophobicContact CE2-CG 3.9Å; Y156-L160 VanDerWaalsContact CZ-CD1 3.44Å; Y156-L160 WeakPolarHBondContact O-CG 3.42Å; Y156-L160 PolarHBondContact O-N 2.86Å; E157-L160 PolarHBondContact O-N 2.89Å; A158-L160 VanDerWaalsContact C-N 3.28Å; A158-L160 PolarHBondContact O-N 3.33Å; L160-A164 VanDerWaalsContact O-CB 3.29Å; L160-A164 WeakPolarHBondContact O-CB 3.33Å; L160-A164 PolarHBondContact O-N 3.43Å; L160-Y171 HydrophobicContact CB-CE2 3.97Å; L160-I175 HydrophobicContact CD1-CD1 3.73Å; L160-I175 HydrophobicContact CD2-CD1 4.19Å; L160-L178 HydrophobicContact CD2-CD2 3.98Å
161	K	98	Very high	97.1	Very high	85 Å²	85	76.8 Å²	76.8	37%	0.37	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-43.6	176.5	-74.6	172.3	-175.7	166	0	111.2	E157 A158 A164 T165 Y171	E157-K161 WeakPolarHBondContact O-CG 3.36Å; E157-K161 PolarHBondContact O-N 3.38Å; E157-K161 VanDerWaalsContact O-N 3.08Å; E157-K161 WeakPolarHBondContact OE1-CE 3.46Å; E157-K161 IonicContact OE1-NZ 2.85Å; E157-K161 PolarHBondContact OE1-NZ 2.79Å; A158-K161 WeakPolarHBondContact O-CB 3.28Å; A158-K161 PolarHBondContact O-N 3.37Å; A158-K161 VanDerWaalsContact O-N 3.07Å; K161-A164 PolarHBondContact O-N 3.15Å; K161-T165 WeakPolarHBondContact O-CB 3.48Å; K161-T165 PolarHBondContact O-N 3.09Å; K161-T165 PolarHBondContact O-OG1 3.4Å; K161-Y171 HydrophobicContact CB-CD2 4.39Å; K161-Y171 HydrophobicContact CD-CE1 4.38Å; K161-Y171 HydrophobicContact CG-CD1 3.88Å; K161-Y171 HydrophobicContact CG-CD2 3.64Å; K161-Y171 HydrophobicContact CG-CE1 3.94Å; K161-Y171 HydrophobicContact CG-CE2 3.7Å; K161-Y171 HydrophobicContact CG-CG 3.74Å
162	E	98	Very high	97	Very high	137 Å²	137	73.8 Å²	73.8	64%	0.64	37%	0.367	S	S	*	.	H	α-helix	trans	-59.9	-49.7	174.9	-172.2	-171.1	162.8	0	0	110.9	A158 A164 T165 K166	A158-E162 PolarHBondContact O-N 3.01Å; E162-A164 PolarHBondContact O-N 3.39Å; E162-T165 PolarHBondContact O-N 2.86Å; E162-K166 WeakPolarHBondContact O-CB 3.43Å; E162-K166 PolarHBondContact O-N 2.93Å
163	W	98.2	Very high	96.8	Very high	17 Å²	17	77.6 Å²	77.6	6%	0.064	38%	0.381	C	S	.	.	H	α-helix	trans	-61	-41.7	177.2	-179.8	88.6	0	0	0	112.5	A90 N93 G94 M95 P96 K159 K166 N167 I169 L178 F182	A90-W163 HydrophobicContact CB-CH2 4.15Å; A90-W163 HydrophobicContact CB-CZ2 4.42Å; N93-W163 PolarHBondContact O-NE1 3.22Å; G94-W163 VanDerWaalsContact O-CD1 3.29Å; M95-W163 HydrophobicContact CB-CD2 4.22Å; M95-W163 HydrophobicContact CB-CE3 4.5Å; M95-W163 HydrophobicContact CB-CH2 4.02Å; M95-W163 HydrophobicContact CB-CZ2 3.73Å; M95-W163 HydrophobicContact CB-CZ3 4.4Å; M95-W163 HydrophobicContact CG-CD2 4.27Å; M95-W163 HydrophobicContact CG-CE3 4.13Å; M95-W163 HydrophobicContact CG-CH2 4.1Å; M95-W163 HydrophobicContact CG-CZ2 4.27Å; M95-W163 HydrophobicContact CG-CZ3 4.03Å; M95-W163 HydrophobicContact SD-CH2 4.14Å; M95-W163 HydrophobicContact SD-CZ3 4.11Å; P96-W163 HydrophobicContact CG-CB 4.39Å; K159-W163 VanDerWaalsContact O-CB 3.31Å; K159-W163 WeakPolarHBondContact O-CB 3.26Å; K159-W163 PolarHBondContact O-N 3.32Å; W163-K166 PolarHBondContact O-N 3.33Å; W163-N167 VanDerWaalsContact CE2-ND2 3.33Å; W163-N167 PolarHBondContact NE1-ND2 2.9Å; W163-N167 PolarHBondContact O-N 3.39Å; W163-N167 VanDerWaalsContact O-N 3.13Å; W163-N167 PolarHBondContact O-ND2 2.93Å; W163-I169 HydrophobicContact CE3-CD1 4.3Å; W163-I169 HydrophobicContact CH2-CD1 4.05Å; W163-I169 HydrophobicContact CZ3-CD1 3.57Å; W163-L178 HydrophobicContact CE3-CD2 4.38Å; W163-L178 HydrophobicContact CZ3-CD1 4.39Å; W163-L178 HydrophobicContact CZ3-CD2 4.2Å; W163-L178 HydrophobicContact CZ3-CG 3.97Å; W163-F182 HydrophobicContact CH2-CB 3.59Å; W163-F182 AromaticContact CH2-CD1 3.9Å; W163-F182 HydrophobicContact CH2-CD1 3.9Å; W163-F182 AromaticContact CH2-CD2 3.63Å; W163-F182 HydrophobicContact CH2-CD2 3.63Å; W163-F182 HydrophobicContact CH2-CE2 4.28Å; W163-F182 AromaticContact CH2-CG 3.4Å; W163-F182 HydrophobicContact CH2-CG 3.4Å; W163-F182 VanDerWaalsContact CH2-CG 3.4Å; W163-F182 HydrophobicContact CZ2-CB 4.39Å; W163-F182 AromaticContact CZ2-CD1 3.93Å; W163-F182 HydrophobicContact CZ2-CD1 3.93Å; W163-F182 AromaticContact CZ2-CD2 3.67Å; W163-F182 HydrophobicContact CZ2-CD2 3.67Å; W163-F182 HydrophobicContact CZ2-CE1 4.1Å; W163-F182 AromaticContact CZ2-CE2 3.84Å; W163-F182 HydrophobicContact CZ2-CE2 3.84Å; W163-F182 AromaticContact CZ2-CG 3.71Å; W163-F182 HydrophobicContact CZ2-CG 3.71Å; W163-F182 HydrophobicContact CZ2-CZ 4.05Å; W163-F182 HydrophobicContact CZ3-CB 4.37Å
164	A	97.9	Very high	96.6	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.9	-44.3	176.9	0	0	0	0	0	111.8	L160 K161 E162 N167 N168 I169 Y171 L178	L160-A164 VanDerWaalsContact O-CB 3.29Å; L160-A164 WeakPolarHBondContact O-CB 3.33Å; L160-A164 PolarHBondContact O-N 3.43Å; K161-A164 PolarHBondContact O-N 3.15Å; E162-A164 PolarHBondContact O-N 3.39Å; A164-N167 CarbonylContact O-C 3.58Å; A164-N167 PolarHBondContact O-N 2.88Å; A164-N168 PolarHBondContact O-N 3.13Å; A164-N168 VanDerWaalsContact O-N 3.17Å; A164-I169 CarbonylContact C-O 3.3Å; A164-I169 HydrophobicContact CB-CG1 3.98Å; A164-I169 WeakPolarHBondContact O-CG1 3.47Å; A164-I169 PolarHBondContact O-N 3.06Å; A164-Y171 HydrophobicContact CB-CD2 4.39Å; A164-L178 HydrophobicContact CB-CD1 4.01Å
165	T	97.6	Very high	96.5	Very high	101 Å²	101	76.1 Å²	76.1	62%	0.62	37%	0.367	S	S	*	.	H	α-helix	trans	-63.7	-47	177.6	-53.9	0	0	0	0	111	K161 E162 N167 N168	K161-T165 WeakPolarHBondContact O-CB 3.48Å; K161-T165 PolarHBondContact O-N 3.09Å; K161-T165 PolarHBondContact O-OG1 3.4Å; E162-T165 PolarHBondContact O-N 2.86Å; T165-N167 PolarHBondContact O-N 3.43Å; T165-N168 PolarHBondContact O-N 2.9Å
166	K	97.7	Very high	96.2	Very high	167 Å²	167	73.3 Å²	73.3	73%	0.726	36%	0.355	S	S	*	.	H	α-helix	trans	-56.5	-34.6	176.7	-179.9	177.1	178.9	175.2	0	112.9	E162 W163	E162-K166 WeakPolarHBondContact O-CB 3.43Å; E162-K166 PolarHBondContact O-N 2.93Å; W163-K166 PolarHBondContact O-N 3.33Å
167	N	96.9	Very high	96.1	Very high	37 Å²	37	74.6 Å²	74.6	20%	0.198	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	11.8	179.6	-66.7	-76.4	0	0	0	113.4	W163 A164 T165 I169 F182	W163-N167 VanDerWaalsContact CE2-ND2 3.33Å; W163-N167 PolarHBondContact NE1-ND2 2.9Å; W163-N167 PolarHBondContact O-N 3.39Å; W163-N167 VanDerWaalsContact O-N 3.13Å; W163-N167 PolarHBondContact O-ND2 2.93Å; A164-N167 CarbonylContact O-C 3.58Å; A164-N167 PolarHBondContact O-N 2.88Å; T165-N167 PolarHBondContact O-N 3.43Å; N167-I169 HydrophobicContact CB-CG1 4.46Å; N167-I169 PolarHBondContact O-N 3.32Å; N167-F182 HydrophobicContact CB-CD2 3.97Å; N167-F182 HydrophobicContact CB-CE2 3.98Å; N167-F182 WeakPolarHBondContact OD1-CE2 3.41Å
168	N	96.5	Very high	96.1	Very high	155 Å²	155	72.9 Å²	72.9	83%	0.829	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	35.6	178.9	-60.4	-52.1	0	0	0	114.2	A164 T165	A164-N168 PolarHBondContact O-N 3.13Å; A164-N168 VanDerWaalsContact O-N 3.17Å; T165-N168 PolarHBondContact O-N 2.9Å
169	I	96.9	Very high	96	Very high	18 Å²	18	70.2 Å²	70.2	9%	0.092	33%	0.333	C	S	.	.			trans	-113.4	144.9	175.9	61.3	177.1	0	0	0	110.9	W163 A164 N167 Y171 L178 R181 F182 T185	W163-I169 HydrophobicContact CE3-CD1 4.3Å; W163-I169 HydrophobicContact CH2-CD1 4.05Å; W163-I169 HydrophobicContact CZ3-CD1 3.57Å; A164-I169 CarbonylContact C-O 3.3Å; A164-I169 HydrophobicContact CB-CG1 3.98Å; A164-I169 WeakPolarHBondContact O-CG1 3.47Å; A164-I169 PolarHBondContact O-N 3.06Å; N167-I169 HydrophobicContact CB-CG1 4.46Å; N167-I169 PolarHBondContact O-N 3.32Å; I169-Y171 PolarHBondContact O-N 2.88Å; I169-L178 HydrophobicContact CD1-CD1 3.7Å; I169-L178 HydrophobicContact CD1-CG 4.37Å; I169-L178 HydrophobicContact CG1-CD1 4.21Å; I169-R181 HydrophobicContact CB-CB 4.37Å; I169-R181 HydrophobicContact CG2-CB 4.42Å; I169-F182 HydrophobicContact CD1-CB 3.82Å; I169-F182 HydrophobicContact CD1-CD2 4.39Å; I169-T185 HydrophobicContact CG2-CG2 3.86Å
170	Q	96.3	Very high	95.9	Very high	136 Å²	136	66.4 Å²	66.4	64%	0.636	32%	0.317	S	S	*	.			trans	-64.3	123.7	175.6	-172.3	-168.5	30.4	0	0	110	R181	Q170-R181 PolarHBondContact O-NH1 3.42Å; Q170-R181 VanDerWaalsContact OE1-CZ 3.26Å
171	Y	96.5	Very high	95.9	Very high	57 Å²	57	69.6 Å²	69.6	22%	0.224	33%	0.329	C	S	.	.			trans	-61.1	145.7	175.2	170.6	-102.4	0	0	0	112.1	E157 L160 K161 A164 I169 K173	E157-Y171 VanDerWaalsContact CG-OH 3.28Å; E157-Y171 WeakPolarHBondContact CG-OH 3.37Å; L160-Y171 HydrophobicContact CB-CE2 3.97Å; K161-Y171 HydrophobicContact CB-CD2 4.39Å; K161-Y171 HydrophobicContact CD-CE1 4.38Å; K161-Y171 HydrophobicContact CG-CD1 3.88Å; K161-Y171 HydrophobicContact CG-CD2 3.64Å; K161-Y171 HydrophobicContact CG-CE1 3.94Å; K161-Y171 HydrophobicContact CG-CE2 3.7Å; K161-Y171 HydrophobicContact CG-CG 3.74Å; A164-Y171 HydrophobicContact CB-CD2 4.39Å; I169-Y171 PolarHBondContact O-N 2.88Å; Y171-K173 HydrophobicContact CE1-CG 4.26Å; Y171-K173 WeakPolarHBondContact OH-CG 3.4Å
172	T	95.1	Very high	95.8	Very high	33 Å²	33	65.6 Å²	65.6	20%	0.202	31%	0.312	C	S	.	.			trans	-152.2	147	168.6	178.6	0	0	0	0	109.7	R174 I177 L178	T172-R174 PolarHBondContact O-N 2.94Å; T172-R174 PolarHBondContact OG1-N 3.37Å; T172-I177 HydrophobicContact CG2-CB 3.88Å; T172-I177 HydrophobicContact CG2-CG2 3.87Å; T172-L178 HydrophobicContact CG2-CB 3.8Å; T172-L178 HydrophobicContact CG2-CD1 4.42Å
173	K	92.2	Very high	95.8	Very high	143 Å²	143	59.7 Å²	59.7	62%	0.622	28%	0.284	S	S	*	.	S	Bend	trans	-65.1	-22.3	175.6	-68.4	-171.1	-178.6	-139.1	0	112.6	E157 Y171 I175	E157-K173 VanDerWaalsContact CD-NZ 3.35Å; E157-K173 WeakPolarHBondContact OE1-CE 3.43Å; E157-K173 IonicContact OE1-NZ 3.11Å; E157-K173 PolarHBondContact OE1-NZ 3.44Å; E157-K173 VanDerWaalsContact OE1-NZ 3.11Å; E157-K173 IonicContact OE2-NZ 2.8Å; E157-K173 PolarHBondContact OE2-NZ 3.2Å; Y171-K173 HydrophobicContact CE1-CG 4.26Å; Y171-K173 WeakPolarHBondContact OH-CG 3.4Å; K173-I175 PolarHBondContact O-N 2.92Å
174	R	91.7	Very high	95.7	Very high	147 Å²	147	64.5 Å²	64.5	56%	0.555	30%	0.302	S	S	*	.			trans	-85	103.3	-178.4	-173.5	169.3	176.4	-155.9	6.2	110.8	T172 S176 I177 L178	T172-R174 PolarHBondContact O-N 2.94Å; T172-R174 PolarHBondContact OG1-N 3.37Å; R174-S176 VanDerWaalsContact C-N 3.26Å; R174-S176 WeakPolarHBondContact CG-OG 3.29Å; R174-S176 PolarHBondContact NE-OG 3.33Å; R174-S176 VanDerWaalsContact NE-OG 3.09Å; R174-S176 PolarHBondContact O-N 3.03Å; R174-S176 VanDerWaalsContact O-N 3.16Å; R174-I177 HydrophobicContact CB-CB 4.42Å; R174-I177 HydrophobicContact CB-CD1 4.21Å; R174-I177 HydrophobicContact CB-CG1 4.28Å; R174-I177 HydrophobicContact CG-CD1 4.22Å; R174-I177 HydrophobicContact CG-CG1 4.02Å; R174-I177 PolarHBondContact O-N 3.14Å; R174-L178 PolarHBondContact O-N 3.41Å
175	I	93.1	Very high	95.5	Very high	42 Å²	42	68.1 Å²	68.1	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-51.8	-40.9	-178.6	-57.4	-57	0	0	0	113.2	M95 Y156 L160 K173 I177 L178 A179	M95-I175 HydrophobicContact CE-CG2 3.69Å; M95-I175 HydrophobicContact SD-CG2 4.35Å; Y156-I175 WeakPolarHBondContact OH-CD1 3.33Å; L160-I175 HydrophobicContact CD1-CD1 3.73Å; L160-I175 HydrophobicContact CD2-CD1 4.19Å; K173-I175 PolarHBondContact O-N 2.92Å; I175-I177 VanDerWaalsContact C-N 3.3Å; I175-I177 PolarHBondContact O-N 3.09Å; I175-L178 PolarHBondContact O-N 3.25Å; I175-A179 VanDerWaalsContact O-CB 3.27Å; I175-A179 WeakPolarHBondContact O-CB 3.37Å; I175-A179 PolarHBondContact O-N 3.4Å
176	S	91.9	Very high	95.4	Very high	30 Å²	30	69.3 Å²	69.3	21%	0.21	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-35.7	-179.9	63.8	0	0	0	0	113	R174 D180	R174-S176 VanDerWaalsContact C-N 3.26Å; R174-S176 WeakPolarHBondContact CG-OG 3.29Å; R174-S176 PolarHBondContact NE-OG 3.33Å; R174-S176 VanDerWaalsContact NE-OG 3.09Å; R174-S176 PolarHBondContact O-N 3.03Å; R174-S176 VanDerWaalsContact O-N 3.16Å; S176-D180 VanDerWaalsContact O-CB 3.29Å; S176-D180 WeakPolarHBondContact O-CB 3.17Å; S176-D180 PolarHBondContact O-N 2.97Å; S176-D180 VanDerWaalsContact O-N 3.08Å
177	I	94.1	Very high	95.1	Very high	54 Å²	54	65.5 Å²	65.5	28%	0.277	30%	0.303	S	S	.	.	H	α-helix	trans	-76	-42.3	176.5	-62.2	-179.8	0	0	0	109.5	T172 R174 I175 A179 D180 R181	T172-I177 HydrophobicContact CG2-CB 3.88Å; T172-I177 HydrophobicContact CG2-CG2 3.87Å; R174-I177 HydrophobicContact CB-CB 4.42Å; R174-I177 HydrophobicContact CB-CD1 4.21Å; R174-I177 HydrophobicContact CB-CG1 4.28Å; R174-I177 HydrophobicContact CG-CD1 4.22Å; R174-I177 HydrophobicContact CG-CG1 4.02Å; R174-I177 PolarHBondContact O-N 3.14Å; I175-I177 VanDerWaalsContact C-N 3.3Å; I175-I177 PolarHBondContact O-N 3.09Å; I177-A179 VanDerWaalsContact C-N 3.32Å; I177-A179 PolarHBondContact O-N 3.35Å; I177-D180 PolarHBondContact O-N 3.17Å; I177-R181 HydrophobicContact CG2-CG 4.39Å; I177-R181 WeakPolarHBondContact O-CG 3.41Å; I177-R181 PolarHBondContact O-N 3.42Å
178	L	95.9	Very high	94.5	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-44.3	178.2	-172.9	62.9	0	0	0	111.4	L160 W163 A164 I169 T172 R174 I175 R181 F182	L160-L178 HydrophobicContact CD2-CD2 3.98Å; W163-L178 HydrophobicContact CE3-CD2 4.38Å; W163-L178 HydrophobicContact CZ3-CD1 4.39Å; W163-L178 HydrophobicContact CZ3-CD2 4.2Å; W163-L178 HydrophobicContact CZ3-CG 3.97Å; A164-L178 HydrophobicContact CB-CD1 4.01Å; I169-L178 HydrophobicContact CD1-CD1 3.7Å; I169-L178 HydrophobicContact CD1-CG 4.37Å; I169-L178 HydrophobicContact CG1-CD1 4.21Å; T172-L178 HydrophobicContact CG2-CB 3.8Å; T172-L178 HydrophobicContact CG2-CD1 4.42Å; R174-L178 PolarHBondContact O-N 3.41Å; I175-L178 PolarHBondContact O-N 3.25Å; L178-R181 PolarHBondContact O-N 2.94Å; L178-F182 PolarHBondContact O-N 2.94Å; L178-F182 VanDerWaalsContact O-N 3.1Å
179	A	96.5	Very high	93.5	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-67.9	-38.3	175.9	0	0	0	0	0	113.1	A90 M95 I175 I177 F182 Y183	A90-A179 HydrophobicContact CB-CB 3.92Å; M95-A179 HydrophobicContact CE-CB 4.46Å; M95-A179 HydrophobicContact SD-CB 4.44Å; I175-A179 VanDerWaalsContact O-CB 3.27Å; I175-A179 WeakPolarHBondContact O-CB 3.37Å; I175-A179 PolarHBondContact O-N 3.4Å; I177-A179 VanDerWaalsContact C-N 3.32Å; I177-A179 PolarHBondContact O-N 3.35Å; A179-F182 PolarHBondContact O-N 2.87Å; A179-Y183 VanDerWaalsContact O-CB 3.27Å; A179-Y183 WeakPolarHBondContact O-CB 3.49Å; A179-Y183 PolarHBondContact O-N 3.11Å
180	D	96	Very high	93.3	Very high	30 Å²	30	75.9 Å²	75.9	16%	0.16	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-46.7	173.2	166	81.5	0	0	0	111.5	Y82 S176 I177 F182 Y183 R184	Y82-D180 VanDerWaalsContact CE1-OD1 3.25Å; Y82-D180 WeakPolarHBondContact CE1-OD1 3.31Å; Y82-D180 PolarHBondContact OH-OD1 2.98Å; Y82-D180 VanDerWaalsContact OH-OD1 3.05Å; S176-D180 VanDerWaalsContact O-CB 3.29Å; S176-D180 WeakPolarHBondContact O-CB 3.17Å; S176-D180 PolarHBondContact O-N 2.97Å; S176-D180 VanDerWaalsContact O-N 3.08Å; I177-D180 PolarHBondContact O-N 3.17Å; D180-F182 VanDerWaalsContact C-N 3.33Å; D180-F182 PolarHBondContact O-N 3.48Å; D180-Y183 PolarHBondContact O-N 3.25Å; D180-Y183 VanDerWaalsContact O-N 3.12Å; D180-R184 VanDerWaalsContact CG-NE 3.31Å; D180-R184 WeakPolarHBondContact O-CG 3.47Å; D180-R184 PolarHBondContact O-N 3.35Å; D180-R184 IonicContact OD1-CZ 3.55Å; D180-R184 IonicContact OD1-NE 3.61Å; D180-R184 PolarHBondContact OD1-NE 2.68Å; D180-R184 IonicContact OD1-NH2 2.68Å; D180-R184 PolarHBondContact OD1-NH2 3.39Å; D180-R184 VanDerWaalsContact OD1-NH2 3.14Å; D180-R184 IonicContact OD2-CZ 2.87Å; D180-R184 IonicContact OD2-NE 3.14Å; D180-R184 PolarHBondContact OD2-NE 2.94Å; D180-R184 VanDerWaalsContact OD2-NE 3.11Å; D180-R184 IonicContact OD2-NH2 3.47Å
181	R	96.3	Very high	93.2	Very high	73 Å²	73	72.7 Å²	72.7	28%	0.275	34%	0.335	S	S	.	.	H	α-helix	trans	-56.1	-48.5	175.8	-73.9	171	177.7	-175.8	-9	111.4	I169 Q170 I177 L178 R184 T185	I169-R181 HydrophobicContact CB-CB 4.37Å; I169-R181 HydrophobicContact CG2-CB 4.42Å; Q170-R181 PolarHBondContact O-NH1 3.42Å; Q170-R181 VanDerWaalsContact OE1-CZ 3.26Å; I177-R181 HydrophobicContact CG2-CG 4.39Å; I177-R181 WeakPolarHBondContact O-CG 3.41Å; I177-R181 PolarHBondContact O-N 3.42Å; L178-R181 PolarHBondContact O-N 2.94Å; R181-R184 PolarHBondContact O-N 3.1Å; R181-T185 WeakPolarHBondContact O-CG2 3.48Å; R181-T185 PolarHBondContact O-N 2.97Å
182	F	97.5	Very high	93	Very high	1 Å²	1	73.6 Å²	73.6	0%	0.004	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-42.5	175.2	-177.2	-107.5	0	0	0	112.5	F89 A90 N93 W163 N167 I169 L178 A179 D180 R184 T185 Y186	F89-F182 AromaticContact CD1-CD1 3.89Å; F89-F182 HydrophobicContact CD1-CD1 3.89Å; F89-F182 AromaticContact CD1-CE1 3.62Å; F89-F182 HydrophobicContact CD1-CE1 3.62Å; F89-F182 HydrophobicContact CE1-CD1 4.03Å; F89-F182 AromaticContact CE1-CE1 3.46Å; F89-F182 HydrophobicContact CE1-CE1 3.46Å; F89-F182 VanDerWaalsContact CE1-CE1 3.46Å; F89-F182 HydrophobicContact CE1-CZ 4.25Å; A90-F182 HydrophobicContact CB-CD1 3.88Å; N93-F182 HydrophobicContact CB-CE1 3.66Å; N93-F182 HydrophobicContact CB-CZ 3.64Å; W163-F182 HydrophobicContact CH2-CB 3.59Å; W163-F182 AromaticContact CH2-CD1 3.9Å; W163-F182 HydrophobicContact CH2-CD1 3.9Å; W163-F182 AromaticContact CH2-CD2 3.63Å; W163-F182 HydrophobicContact CH2-CD2 3.63Å; W163-F182 HydrophobicContact CH2-CE2 4.28Å; W163-F182 AromaticContact CH2-CG 3.4Å; W163-F182 HydrophobicContact CH2-CG 3.4Å; W163-F182 VanDerWaalsContact CH2-CG 3.4Å; W163-F182 HydrophobicContact CZ2-CB 4.39Å; W163-F182 AromaticContact CZ2-CD1 3.93Å; W163-F182 HydrophobicContact CZ2-CD1 3.93Å; W163-F182 AromaticContact CZ2-CD2 3.67Å; W163-F182 HydrophobicContact CZ2-CD2 3.67Å; W163-F182 HydrophobicContact CZ2-CE1 4.1Å; W163-F182 AromaticContact CZ2-CE2 3.84Å; W163-F182 HydrophobicContact CZ2-CE2 3.84Å; W163-F182 AromaticContact CZ2-CG 3.71Å; W163-F182 HydrophobicContact CZ2-CG 3.71Å; W163-F182 HydrophobicContact CZ2-CZ 4.05Å; W163-F182 HydrophobicContact CZ3-CB 4.37Å; N167-F182 HydrophobicContact CB-CD2 3.97Å; N167-F182 HydrophobicContact CB-CE2 3.98Å; N167-F182 WeakPolarHBondContact OD1-CE2 3.41Å; I169-F182 HydrophobicContact CD1-CB 3.82Å; I169-F182 HydrophobicContact CD1-CD2 4.39Å; L178-F182 PolarHBondContact O-N 2.94Å; L178-F182 VanDerWaalsContact O-N 3.1Å; A179-F182 PolarHBondContact O-N 2.87Å; D180-F182 VanDerWaalsContact C-N 3.33Å; D180-F182 PolarHBondContact O-N 3.48Å; F182-R184 VanDerWaalsContact C-N 3.29Å; F182-R184 PolarHBondContact O-N 3.22Å; F182-T185 PolarHBondContact O-N 3.06Å; F182-T185 PolarHBondContact O-OG1 3.48Å; F182-Y186 HydrophobicContact CD2-CE2 4.16Å; F182-Y186 HydrophobicContact CE1-CD2 4.45Å; F182-Y186 HydrophobicContact CE1-CE2 4.1Å; F182-Y186 HydrophobicContact CE2-CD2 4.42Å; F182-Y186 AromaticContact CE2-CE2 3.5Å; F182-Y186 HydrophobicContact CE2-CE2 3.5Å; F182-Y186 VanDerWaalsContact CE2-CE2 3.5Å; F182-Y186 HydrophobicContact CZ-CD2 4.23Å; F182-Y186 AromaticContact CZ-CE2 3.46Å; F182-Y186 HydrophobicContact CZ-CE2 3.46Å; F182-Y186 VanDerWaalsContact CZ-CE2 3.46Å; F182-Y186 WeakPolarHBondContact O-CD2 3.45Å
183	Y	96.9	Very high	92.9	Very high	13 Å²	13	76 Å²	76	5%	0.051	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-38	-179	-171.8	-105.8	0	0	0	111.9	Y82 K85 A86 F89 A179 D180 T185 Y186 H187	Y82-Y183 AromaticContact CE2-CD1 3.93Å; Y82-Y183 HydrophobicContact CE2-CD1 3.93Å; Y82-Y183 AromaticContact CE2-CE1 3.86Å; Y82-Y183 HydrophobicContact CE2-CE1 3.86Å; Y82-Y183 AromaticContact CZ-CD1 3.91Å; K85-Y183 WeakPolarHBondContact CE-OH 3.44Å; K85-Y183 PolarHBondContact NZ-OH 2.9Å; A86-Y183 HydrophobicContact CB-CD1 4.22Å; A86-Y183 HydrophobicContact CB-CD2 4.27Å; A86-Y183 HydrophobicContact CB-CG 3.79Å; F89-Y183 HydrophobicContact CB-CD2 3.82Å; F89-Y183 HydrophobicContact CB-CE2 4.1Å; F89-Y183 AromaticContact CD1-CD2 3.74Å; F89-Y183 HydrophobicContact CD1-CD2 3.74Å; F89-Y183 HydrophobicContact CD1-CE2 4.37Å; F89-Y183 HydrophobicContact CD2-CD2 4.48Å; F89-Y183 HydrophobicContact CD2-CE2 4.34Å; F89-Y183 HydrophobicContact CE1-CD2 4.44Å; F89-Y183 AromaticContact CG-CD2 3.76Å; F89-Y183 HydrophobicContact CG-CD2 3.76Å; F89-Y183 HydrophobicContact CG-CE2 4.02Å; A179-Y183 VanDerWaalsContact O-CB 3.27Å; A179-Y183 WeakPolarHBondContact O-CB 3.49Å; A179-Y183 PolarHBondContact O-N 3.11Å; D180-Y183 PolarHBondContact O-N 3.25Å; D180-Y183 VanDerWaalsContact O-N 3.12Å; Y183-T185 VanDerWaalsContact C-N 3.28Å; Y183-T185 PolarHBondContact O-N 3.32Å; Y183-Y186 PolarHBondContact O-N 2.98Å; Y183-H187 HydrophobicContact CD1-CB 4.34Å; Y183-H187 AromaticContact CD2-CD2 3.69Å; Y183-H187 HydrophobicContact CE1-CB 3.93Å; Y183-H187 AromaticContact CE1-CD2 3.78Å; Y183-H187 AromaticContact CE1-CG 3.98Å; Y183-H187 AromaticContact CE2-CD2 3.14Å; Y183-H187 WeakPolarHBondContact CE2-CD2 3.42Å; Y183-H187 AromaticContact CE2-NE2 3.45Å; Y183-H187 WeakPolarHBondContact CE2-NE2 3.48Å; Y183-H187 AromaticContact CZ-CD2 3.18Å; Y183-H187 AromaticContact CZ-CG 3.67Å; Y183-H187 AromaticContact CZ-NE2 3.63Å; Y183-H187 PolarHBondContact O-N 3.5Å; Y183-H187 PolarHBondContact OH-CD2 3.26Å; Y183-H187 PolarHBondContact OH-NE2 3.43Å
184	R	95.6	Very high	92.9	Very high	117 Å²	117	71.8 Å²	71.8	44%	0.442	33%	0.333	S	S	.	.	H	α-helix	trans	-67.9	-22.2	178.5	-71.1	174.3	-173.6	-134.5	6.1	114.2	D180 R181 F182 Y186 H187	D180-R184 VanDerWaalsContact CG-NE 3.31Å; D180-R184 WeakPolarHBondContact O-CG 3.47Å; D180-R184 PolarHBondContact O-N 3.35Å; D180-R184 IonicContact OD1-CZ 3.55Å; D180-R184 IonicContact OD1-NE 3.61Å; D180-R184 PolarHBondContact OD1-NE 2.68Å; D180-R184 IonicContact OD1-NH2 2.68Å; D180-R184 PolarHBondContact OD1-NH2 3.39Å; D180-R184 VanDerWaalsContact OD1-NH2 3.14Å; D180-R184 IonicContact OD2-CZ 2.87Å; D180-R184 IonicContact OD2-NE 3.14Å; D180-R184 PolarHBondContact OD2-NE 2.94Å; D180-R184 VanDerWaalsContact OD2-NE 3.11Å; D180-R184 IonicContact OD2-NH2 3.47Å; R181-R184 PolarHBondContact O-N 3.1Å; F182-R184 VanDerWaalsContact C-N 3.29Å; F182-R184 PolarHBondContact O-N 3.22Å; R184-Y186 PolarHBondContact O-N 2.93Å; R184-H187 CarbonylContact O-C 3.58Å
185	T	94.9	Very high	93	Very high	77 Å²	77	66.8 Å²	66.8	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-69.3	-22.9	175	65	0	0	0	0	112.2	I169 R181 F182 Y183	I169-T185 HydrophobicContact CG2-CG2 3.86Å; R181-T185 WeakPolarHBondContact O-CG2 3.48Å; R181-T185 PolarHBondContact O-N 2.97Å; F182-T185 PolarHBondContact O-N 3.06Å; F182-T185 PolarHBondContact O-OG1 3.48Å; Y183-T185 VanDerWaalsContact C-N 3.28Å; Y183-T185 PolarHBondContact O-N 3.32Å
186	Y	94.1	Very high	93	Very high	126 Å²	126	68.6 Å²	68.6	49%	0.494	33%	0.325	S	S	.	.	H	α-helix	trans	-107.1	-17.2	178.2	-63.7	-88.8	0	0	0	113.4	F89 F182 Y183 R184	F89-Y186 AromaticContact CE1-CD2 3.78Å; F89-Y186 HydrophobicContact CE1-CD2 3.78Å; F89-Y186 HydrophobicContact CE1-CE2 4.38Å; F89-Y186 HydrophobicContact CE1-CG 4.11Å; F89-Y186 HydrophobicContact CZ-CD2 4.16Å; F89-Y186 HydrophobicContact CZ-CG 4.04Å; F182-Y186 HydrophobicContact CD2-CE2 4.16Å; F182-Y186 HydrophobicContact CE1-CD2 4.45Å; F182-Y186 HydrophobicContact CE1-CE2 4.1Å; F182-Y186 HydrophobicContact CE2-CD2 4.42Å; F182-Y186 AromaticContact CE2-CE2 3.5Å; F182-Y186 HydrophobicContact CE2-CE2 3.5Å; F182-Y186 VanDerWaalsContact CE2-CE2 3.5Å; F182-Y186 HydrophobicContact CZ-CD2 4.23Å; F182-Y186 AromaticContact CZ-CE2 3.46Å; F182-Y186 HydrophobicContact CZ-CE2 3.46Å; F182-Y186 VanDerWaalsContact CZ-CE2 3.46Å; F182-Y186 WeakPolarHBondContact O-CD2 3.45Å; Y183-Y186 PolarHBondContact O-N 2.98Å; R184-Y186 PolarHBondContact O-N 2.93Å
187	H	92	Very high	93.1	Very high	86 Å²	86	71.5 Å²	71.5	40%	0.398	33%	0.334	S	S	.	.	S	Bend	trans	-132.2	71.9	178.6	-60.6	-77.7	0	0	0	109.1	Y183 R184	Y183-H187 HydrophobicContact CD1-CB 4.34Å; Y183-H187 AromaticContact CD2-CD2 3.69Å; Y183-H187 HydrophobicContact CE1-CB 3.93Å; Y183-H187 AromaticContact CE1-CD2 3.78Å; Y183-H187 AromaticContact CE1-CG 3.98Å; Y183-H187 AromaticContact CE2-CD2 3.14Å; Y183-H187 WeakPolarHBondContact CE2-CD2 3.42Å; Y183-H187 AromaticContact CE2-NE2 3.45Å; Y183-H187 WeakPolarHBondContact CE2-NE2 3.48Å; Y183-H187 AromaticContact CZ-CD2 3.18Å; Y183-H187 AromaticContact CZ-CG 3.67Å; Y183-H187 AromaticContact CZ-NE2 3.63Å; Y183-H187 PolarHBondContact O-N 3.5Å; Y183-H187 PolarHBondContact OH-CD2 3.26Å; Y183-H187 PolarHBondContact OH-NE2 3.43Å; R184-H187 CarbonylContact O-C 3.58Å
188	P	84.1	Confident	93	Very high	108 Å²	108	73 Å²	73	70%	0.701	34%	0.339	S	S	*	.			trans	-59.7	146.4	170.8	27.5	-33.3	0	0	0	109.2
189	K	76.2	Confident	92.7	Very high	245 Å²	245	79.6 Å²	79.6	100%	1.065	37%	0.369	S	S	*	.			trans	-72.2	0	174	-74.5	-170	174.6	-166.9	0	110.8

Retrieved 189 of 189 residues in 126.4 ms (Link to these results)

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