A0A077ZJC3_TRITR Loading...

HTH Tnp Tc5 and BrkDBD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 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	54	Low	54.4	Low	224 Å²	224	133.7 Å²	133.7	100%	1.103	69%	0.685	S	S	*	*				0	24.9	0	-72.1	-174.6	173.7	0	0	113.3
2	S	57.2	Low	54.8	Low	87 Å²	87	127.6 Å²	127.6	61%	0.608	66%	0.663	S	S	*	*			trans	-94.4	-22.9	-178.8	42.8	0	0	0	0	114.4
3	F	51.9	Low	54.8	Low	187 Å²	187	122.6 Å²	122.6	82%	0.82	65%	0.652	S	S	*	*	H	α-helix	trans	-76.9	-21.7	-175.2	-86.3	-91.3	0	0	0	115.3
4	L	53.5	Low	54.8	Low	144 Å²	144	122.6 Å²	122.6	75%	0.754	65%	0.651	S	S	*	*	H	α-helix	trans	-80.8	-21.5	179	-68.6	172.7	0	0	0	113
5	N	55.6	Low	54.7	Low	112 Å²	112	121.9 Å²	121.9	60%	0.599	66%	0.658	S	S	*	*	H	α-helix	trans	-79.4	-31	-179.2	-73.3	-24.5	0	0	0	112.7	G7 I8 F9	N5-G7 VanDerWaalsContact C-N 3.34Å; N5-G7 PolarHBondContact O-N 3.32Å; N5-I8 PolarHBondContact O-N 3.42Å; N5-F9 PolarHBondContact O-N 2.84Å
6	E	53.2	Low	54.6	Low	136 Å²	136	125 Å²	125	64%	0.636	66%	0.664	S	S	*	*	H	α-helix	trans	-62.9	-39.3	174.8	-70.9	-98.6	157.1	0	0	111.9	F9 Q10	E6-F9 PolarHBondContact O-N 3.01Å; E6-Q10 PolarHBondContact O-N 2.89Å
7	G	51.8	Low	54.6	Low	38 Å²	38	129.9 Å²	129.9	39%	0.392	67%	0.671	S	S	.	*	H	α-helix	trans	-68.8	-34.5	179.5	0	0	0	0	0	114.1	N5 L11	N5-G7 VanDerWaalsContact C-N 3.34Å; N5-G7 PolarHBondContact O-N 3.32Å; G7-L11 PolarHBondContact O-N 2.92Å
8	I	58.5	Low	54.7	Low	119 Å²	119	127.4 Å²	127.4	61%	0.61	67%	0.672	S	S	*	*	H	α-helix	trans	-69.1	-37.5	176.9	-66	173.2	0	0	0	110.5	N5 S12	N5-I8 PolarHBondContact O-N 3.42Å; I8-S12 PolarHBondContact O-N 3.49Å
9	F	54.6	Low	55.2	Low	160 Å²	160	130.1 Å²	130.1	70%	0.702	68%	0.683	S	S	*	*	H	α-helix	trans	-67.5	-39.5	178.2	-154.4	-102.7	0	0	0	111.8	N5 E6 S12 A13	N5-F9 PolarHBondContact O-N 2.84Å; E6-F9 PolarHBondContact O-N 3.01Å; F9-S12 PolarHBondContact O-N 3.49Å; F9-S12 PolarHBondContact O-OG 3.08Å; F9-A13 PolarHBondContact O-N 2.83Å
10	Q	54.2	Low	56	Low	129 Å²	129	129.2 Å²	129.2	60%	0.603	68%	0.684	S	S	*	*	H	α-helix	trans	-69.2	-35.7	176.8	-69.4	-150.7	8.6	0	0	114.1	E6 S12 A13 L14	E6-Q10 PolarHBondContact O-N 2.89Å; Q10-S12 VanDerWaalsContact C-N 3.29Å; Q10-S12 PolarHBondContact O-N 3.02Å; Q10-A13 PolarHBondContact O-N 3.4Å; Q10-L14 PolarHBondContact O-N 3.19Å
11	L	54.3	Low	57.2	Low	135 Å²	135	134.6 Å²	134.6	71%	0.707	70%	0.695	S	S	*	*	H	α-helix	trans	-62.7	-35.1	174.7	-108.7	122	0	0	0	112.5	G7 A13 C15	G7-L11 PolarHBondContact O-N 2.92Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-C15 WeakPolarHBondContact O-CB 3.41Å; L11-C15 PolarHBondContact O-N 3.13Å
12	S	58.7	Low	58.8	Low	60 Å²	60	131.7 Å²	131.7	42%	0.42	67%	0.671	S	S	.	*	H	α-helix	trans	-69.2	-30.3	176.6	83	0	0	0	0	113.3	I8 F9 Q10 K16	I8-S12 PolarHBondContact O-N 3.49Å; F9-S12 PolarHBondContact O-N 3.49Å; F9-S12 PolarHBondContact O-OG 3.08Å; Q10-S12 VanDerWaalsContact C-N 3.29Å; Q10-S12 PolarHBondContact O-N 3.02Å; S12-K16 PolarHBondContact O-N 3.07Å
13	A	54.9	Low	60.4	Low	63 Å²	63	130 Å²	130	52%	0.521	66%	0.66	S	S	.	*	H	α-helix	trans	-78.9	-36.3	-179.3	0	0	0	0	0	112.6	F9 Q10 L11 K16	F9-A13 PolarHBondContact O-N 2.83Å; Q10-A13 PolarHBondContact O-N 3.4Å; L11-A13 VanDerWaalsContact C-N 3.34Å; A13-K16 PolarHBondContact O-N 2.9Å
14	L	54.9	Low	62.5	Low	122 Å²	122	122.5 Å²	122.5	64%	0.639	63%	0.626	S	S	*	*	H	α-helix	trans	-73.4	-30.1	174.3	-76.6	163.6	0	0	0	112.8	Q10 K16 R17	Q10-L14 PolarHBondContact O-N 3.19Å; L14-K16 PolarHBondContact O-N 3.33Å; L14-R17 PolarHBondContact O-N 2.81Å; L14-R17 VanDerWaalsContact O-N 3.15Å
15	C	53.5	Low	64.5	Low	113 Å²	113	119.5 Å²	119.5	76%	0.764	61%	0.608	S	S	*	*	H	α-helix	trans	-69.4	-18.9	172.9	-164.3	0	0	0	0	112.7	L11 R17	L11-C15 WeakPolarHBondContact O-CB 3.41Å; L11-C15 PolarHBondContact O-N 3.13Å; C15-R17 VanDerWaalsContact C-N 3.28Å; C15-R17 PolarHBondContact O-N 3.48Å
16	K	53.7	Low	66.4	Low	171 Å²	171	114.2 Å²	114.2	74%	0.743	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	21.3	168.6	-75.1	-179.3	-175.6	173.7	0	113.7	S12 A13 L14 A18	S12-K16 PolarHBondContact O-N 3.07Å; A13-K16 PolarHBondContact O-N 2.9Å; L14-K16 PolarHBondContact O-N 3.33Å; K16-A18 PolarHBondContact O-N 3.04Å
17	R	53	Low	68.5	Low	209 Å²	209	112 Å²	112	79%	0.789	57%	0.569	S	S	*	*	S	Bend	trans	-59.1	98.7	156.8	-81.9	178.6	87.8	145.2	1.8	106.7	L14 C15 M19	L14-R17 PolarHBondContact O-N 2.81Å; L14-R17 VanDerWaalsContact O-N 3.15Å; C15-R17 VanDerWaalsContact C-N 3.28Å; C15-R17 PolarHBondContact O-N 3.48Å; R17-M19 PolarHBondContact O-N 2.94Å
18	A	56.7	Low	70.7	Confident	84 Å²	84	113.4 Å²	113.4	69%	0.694	57%	0.565	S	S	*	*			trans	-37	106.5	-170.7	0	0	0	0	0	110.2	K16 T20	K16-A18 PolarHBondContact O-N 3.04Å; A18-T20 PolarHBondContact O-N 3.22Å
19	M	65.4	Low	72.6	Confident	178 Å²	178	108.8 Å²	108.8	88%	0.877	54%	0.54	S	S	*	.			trans	-64.5	89.6	175.2	-177	-176.9	-69.8	0	0	106.3	R17 R21	R17-M19 PolarHBondContact O-N 2.94Å; M19-R21 PolarHBondContact O-N 2.88Å
20	T	71	Confident	74.6	Confident	113 Å²	113	103.5 Å²	103.5	69%	0.693	52%	0.519	S	S	*	.			trans	-60.9	127	-178.4	54.5	0	0	0	0	107.2	A18 R22	A18-T20 PolarHBondContact O-N 3.22Å; T20-R22 PolarHBondContact O-N 2.57Å
21	R	79.7	Confident	76.7	Confident	243 Å²	243	101.3 Å²	101.3	92%	0.917	51%	0.509	S	S	*	.			trans	-60.2	111.7	-178.1	-174.7	176.2	178.5	164.4	2	108.7	M19	M19-R21 PolarHBondContact O-N 2.88Å
22	R	88.4	Confident	78.8	Confident	163 Å²	163	94.9 Å²	94.9	62%	0.615	48%	0.475	S	S	*	.			trans	-62.1	140.1	179.2	-69.7	-170.8	-99.9	167.7	-2.7	110.4	T20 Y24 G49	T20-R22 PolarHBondContact O-N 2.57Å; R22-Y24 HydrophobicContact CB-CE2 3.73Å; R22-Y24 WeakPolarHBondContact CD-OH 3.46Å; R22-G49 PolarHBondContact NH1-O 3.01Å
23	S	90.9	Very high	80.7	Confident	51 Å²	51	92 Å²	92	36%	0.357	46%	0.455	S	S	.	.			trans	-124.6	131	175.3	62.3	0	0	0	0	110.7	R73	S23-R73 VanDerWaalsContact O-CZ 3.3Å; S23-R73 PolarHBondContact O-NE 3.4Å; S23-R73 VanDerWaalsContact O-NE 3.12Å; S23-R73 PolarHBondContact O-NH2 3.25Å; S23-R73 PolarHBondContact OG-NE 3.13Å; S23-R73 PolarHBondContact OG-NH1 2.77Å; S23-R73 PolarHBondContact OG-NH2 2.96Å
24	Y	95.3	Very high	82.7	Confident	30 Å²	30	94.4 Å²	94.4	12%	0.118	45%	0.454	C	S	.	.			trans	-115.3	138.4	-171.4	-57.9	-88	0	0	0	110	R22 F28 K29 V50 M54 W58 R73	R22-Y24 HydrophobicContact CB-CE2 3.73Å; R22-Y24 WeakPolarHBondContact CD-OH 3.46Å; Y24-F28 AromaticContact CD1-CD1 3.47Å; Y24-F28 HydrophobicContact CD1-CD1 3.47Å; Y24-F28 VanDerWaalsContact CD1-CD1 3.47Å; Y24-F28 AromaticContact CD1-CE1 3.23Å; Y24-F28 HydrophobicContact CD1-CE1 3.23Å; Y24-F28 HydrophobicContact CD1-CG 4.38Å; Y24-F28 HydrophobicContact CD1-CZ 4.01Å; Y24-F28 HydrophobicContact CE1-CD1 4.36Å; Y24-F28 AromaticContact CE1-CE1 3.68Å; Y24-F28 HydrophobicContact CE1-CE1 3.68Å; Y24-F28 HydrophobicContact CE1-CZ 4.14Å; Y24-F28 AromaticContact CG-CD1 4Å; Y24-F28 HydrophobicContact CG-CD1 4Å; Y24-F28 HydrophobicContact CG-CE1 4.04Å; Y24-K29 WeakPolarHBondContact O-CE 3.19Å; Y24-K29 PolarHBondContact O-NZ 2.85Å; Y24-V50 HydrophobicContact CE1-CG1 3.81Å; Y24-M54 HydrophobicContact CD2-CE 3.66Å; Y24-M54 HydrophobicContact CE2-CE 3.39Å; Y24-M54 HydrophobicContact CE2-SD 4.34Å; Y24-W58 HydrophobicContact CD1-CH2 4.26Å; Y24-W58 AromaticContact CD2-CH2 3.68Å; Y24-W58 HydrophobicContact CD2-CH2 3.68Å; Y24-W58 AromaticContact CD2-CZ2 3.67Å; Y24-W58 HydrophobicContact CD2-CZ2 3.67Å; Y24-W58 HydrophobicContact CE2-CH2 4.13Å; Y24-W58 HydrophobicContact CE2-CZ2 4.33Å; Y24-W58 AromaticContact CG-CH2 3.74Å; Y24-W58 HydrophobicContact CG-CH2 3.74Å; Y24-W58 HydrophobicContact CG-CZ2 4Å; Y24-R73 VanDerWaalsContact O-CA 3.26Å; Y24-R73 WeakPolarHBondContact O-CA 3.27Å
25	Q	96.3	Very high	84.8	Confident	81 Å²	81	89.1 Å²	89.1	38%	0.379	43%	0.427	S	S	.	.			trans	-69.2	154.8	174.5	-62.3	-176.5	12.3	0	0	110.5	E27 F28 K29 R73	Q25-E27 VanDerWaalsContact C-N 3.3Å; Q25-E27 PolarHBondContact O-N 3.33Å; Q25-F28 PolarHBondContact O-N 3.39Å; Q25-K29 WeakPolarHBondContact O-CG 3.12Å; Q25-K29 PolarHBondContact O-N 3.32Å; Q25-K29 VanDerWaalsContact O-N 3.1Å; Q25-R73 HydrophobicContact CG-CG 4.17Å
26	A	95.8	Very high	86.9	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-57.9	-42.5	178.4	0	0	0	0	0	112.3	F28 K29 L30 M68 K70 Q72	A26-F28 PolarHBondContact O-N 3.21Å; A26-K29 PolarHBondContact O-N 3.03Å; A26-K29 VanDerWaalsContact O-N 3.14Å; A26-L30 WeakPolarHBondContact O-CG 3.26Å; A26-L30 PolarHBondContact O-N 3.41Å; A26-M68 HydrophobicContact CB-CB 4.19Å; A26-M68 HydrophobicContact CB-CG 4.09Å; A26-M68 HydrophobicContact CB-SD 3.69Å; A26-K70 PolarHBondContact N-O 3.48Å; A26-K70 VanDerWaalsContact N-O 3.13Å; A26-Q72 PolarHBondContact N-O 2.92Å
27	E	97.2	Very high	89	Confident	90 Å²	90	80.7 Å²	80.7	42%	0.421	38%	0.377	S	S	.	.	H	α-helix	trans	-58.4	-47.3	178	-177.5	161.3	-130	0	0	112.1	Q25 K29 L30 E31 K70	Q25-E27 VanDerWaalsContact C-N 3.3Å; Q25-E27 PolarHBondContact O-N 3.33Å; E27-K29 VanDerWaalsContact C-N 3.33Å; E27-K29 PolarHBondContact O-N 3.4Å; E27-L30 PolarHBondContact O-N 2.87Å; E27-E31 PolarHBondContact O-N 3.43Å; E27-K70 HydrophobicContact CB-CB 4.14Å; E27-K70 HydrophobicContact CB-CG 4.47Å; E27-K70 PolarHBondContact N-O 2.96Å; E27-K70 VanDerWaalsContact N-O 3.16Å; E27-K70 IonicContact OE1-NZ 3.13Å; E27-K70 PolarHBondContact OE1-NZ 3.36Å
28	F	97.6	Very high	91.1	Very high	68 Å²	68	77.2 Å²	77.2	30%	0.298	37%	0.37	S	S	.	.	H	α-helix	trans	-59	-44	174.5	176.1	-90.7	0	0	0	112.1	Y24 Q25 A26 L30 E31 V32 Y48 V50 W58	Y24-F28 AromaticContact CD1-CD1 3.47Å; Y24-F28 HydrophobicContact CD1-CD1 3.47Å; Y24-F28 VanDerWaalsContact CD1-CD1 3.47Å; Y24-F28 AromaticContact CD1-CE1 3.23Å; Y24-F28 HydrophobicContact CD1-CE1 3.23Å; Y24-F28 HydrophobicContact CD1-CG 4.38Å; Y24-F28 HydrophobicContact CD1-CZ 4.01Å; Y24-F28 HydrophobicContact CE1-CD1 4.36Å; Y24-F28 AromaticContact CE1-CE1 3.68Å; Y24-F28 HydrophobicContact CE1-CE1 3.68Å; Y24-F28 HydrophobicContact CE1-CZ 4.14Å; Y24-F28 AromaticContact CG-CD1 4Å; Y24-F28 HydrophobicContact CG-CD1 4Å; Y24-F28 HydrophobicContact CG-CE1 4.04Å; Q25-F28 PolarHBondContact O-N 3.39Å; A26-F28 PolarHBondContact O-N 3.21Å; F28-L30 VanDerWaalsContact C-N 3.3Å; F28-L30 PolarHBondContact O-N 2.89Å; F28-E31 PolarHBondContact O-N 3.31Å; F28-V32 HydrophobicContact CD1-CG2 4.05Å; F28-V32 HydrophobicContact CE1-CG2 3.61Å; F28-V32 HydrophobicContact CE2-CG2 4.35Å; F28-V32 HydrophobicContact CZ-CG2 3.8Å; F28-V32 VanDerWaalsContact O-CG2 3.31Å; F28-V32 WeakPolarHBondContact O-CG2 3.48Å; F28-V32 PolarHBondContact O-N 3.03Å; F28-Y48 AromaticContact CE2-CD1 3.93Å; F28-Y48 HydrophobicContact CE2-CD1 3.93Å; F28-Y48 HydrophobicContact CZ-CD1 4.14Å; F28-Y48 HydrophobicContact CZ-CG 4.43Å; F28-V50 HydrophobicContact CE1-CG1 4.03Å; F28-V50 HydrophobicContact CZ-CG1 4.18Å; F28-W58 HydrophobicContact CD1-CH2 4.47Å; F28-W58 HydrophobicContact CD1-CZ3 4.47Å; F28-W58 HydrophobicContact CE1-CH2 4.18Å; F28-W58 HydrophobicContact CE1-CZ3 4.14Å
29	K	97.7	Very high	92.9	Very high	21 Å²	21	75.5 Å²	75.5	9%	0.091	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-39.6	179.1	-64.5	174.3	-174.6	165.6	0	111.5	Y24 Q25 A26 E27 V32 V33 W58 L65 R73	Y24-K29 WeakPolarHBondContact O-CE 3.19Å; Y24-K29 PolarHBondContact O-NZ 2.85Å; Q25-K29 WeakPolarHBondContact O-CG 3.12Å; Q25-K29 PolarHBondContact O-N 3.32Å; Q25-K29 VanDerWaalsContact O-N 3.1Å; A26-K29 PolarHBondContact O-N 3.03Å; A26-K29 VanDerWaalsContact O-N 3.14Å; E27-K29 VanDerWaalsContact C-N 3.33Å; E27-K29 PolarHBondContact O-N 3.4Å; K29-V32 PolarHBondContact O-N 3.46Å; K29-V33 VanDerWaalsContact O-CG2 3.28Å; K29-V33 WeakPolarHBondContact O-CG2 3.47Å; K29-V33 PolarHBondContact O-N 3.24Å; K29-W58 HydrophobicContact CB-CD2 3.89Å; K29-W58 HydrophobicContact CB-CE3 4.03Å; K29-W58 HydrophobicContact CB-CG 4.13Å; K29-W58 HydrophobicContact CD-CD2 4.05Å; K29-W58 HydrophobicContact CD-CG 4.18Å; K29-W58 HydrophobicContact CD-CZ2 4.08Å; K29-W58 HydrophobicContact CG-CD2 3.64Å; K29-W58 HydrophobicContact CG-CE3 3.93Å; K29-W58 HydrophobicContact CG-CG 4.15Å; K29-W58 HydrophobicContact CG-CH2 4.01Å; K29-W58 HydrophobicContact CG-CZ2 3.71Å; K29-W58 HydrophobicContact CG-CZ3 4.12Å; K29-L65 HydrophobicContact CB-CD1 3.89Å; K29-L65 HydrophobicContact CB-CD2 4.34Å; K29-L65 HydrophobicContact CD-CD1 4.4Å; K29-L65 HydrophobicContact CD-CD2 3.73Å; K29-R73 PolarHBondContact NZ-O 3.25Å
30	L	98.1	Very high	94.4	Very high	49 Å²	49	70 Å²	70	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-65.5	-40.2	177	-73.7	170.2	0	0	0	111.6	A26 E27 F28 V32 V33 K34 E62 L65 K66	A26-L30 WeakPolarHBondContact O-CG 3.26Å; A26-L30 PolarHBondContact O-N 3.41Å; E27-L30 PolarHBondContact O-N 2.87Å; F28-L30 VanDerWaalsContact C-N 3.3Å; F28-L30 PolarHBondContact O-N 2.89Å; L30-V32 PolarHBondContact O-N 3.26Å; L30-V33 PolarHBondContact O-N 2.92Å; L30-K34 PolarHBondContact O-N 2.7Å; L30-E62 HydrophobicContact CD2-CG 4.41Å; L30-L65 HydrophobicContact CD2-CB 3.74Å; L30-L65 HydrophobicContact CG-CB 4.08Å; L30-K66 HydrophobicContact CD2-CG 3.97Å
31	E	98	Very high	95.6	Very high	83 Å²	83	66.2 Å²	66.2	39%	0.388	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-43.4	175	-178.4	56.1	-154.6	0	0	111.9	E27 F28 V33 K34 T35 Y48	E27-E31 PolarHBondContact O-N 3.43Å; F28-E31 PolarHBondContact O-N 3.31Å; E31-V33 VanDerWaalsContact C-N 3.32Å; E31-V33 PolarHBondContact O-N 3.33Å; E31-K34 PolarHBondContact O-N 3Å; E31-T35 PolarHBondContact O-N 2.87Å; E31-T35 PolarHBondContact O-OG1 3.46Å; E31-Y48 HydrophobicContact CG-CE1 4.33Å; E31-Y48 PolarHBondContact OE1-OH 3.43Å
32	V	98.2	Very high	96.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-41.6	173.8	176.1	0	0	0	0	111.2	F28 K29 L30 A36 Y48 V50 V55 W58	F28-V32 HydrophobicContact CD1-CG2 4.05Å; F28-V32 HydrophobicContact CE1-CG2 3.61Å; F28-V32 HydrophobicContact CE2-CG2 4.35Å; F28-V32 HydrophobicContact CZ-CG2 3.8Å; F28-V32 VanDerWaalsContact O-CG2 3.31Å; F28-V32 WeakPolarHBondContact O-CG2 3.48Å; F28-V32 PolarHBondContact O-N 3.03Å; K29-V32 PolarHBondContact O-N 3.46Å; L30-V32 PolarHBondContact O-N 3.26Å; V32-A36 VanDerWaalsContact O-CB 3.29Å; V32-A36 WeakPolarHBondContact O-CB 3.26Å; V32-A36 PolarHBondContact O-N 3.34Å; V32-Y48 HydrophobicContact CB-CD2 4.33Å; V32-Y48 HydrophobicContact CG1-CD2 4.28Å; V32-Y48 HydrophobicContact CG2-CD1 4.01Å; V32-Y48 HydrophobicContact CG2-CD2 3.76Å; V32-Y48 HydrophobicContact CG2-CE1 4.43Å; V32-Y48 HydrophobicContact CG2-CE2 4.22Å; V32-Y48 HydrophobicContact CG2-CG 3.67Å; V32-V50 HydrophobicContact CG1-CG2 4.31Å; V32-V55 HydrophobicContact CG1-CB 4.46Å; V32-V55 HydrophobicContact CG1-CG1 4.14Å; V32-V55 HydrophobicContact CG1-CG2 3.83Å; V32-W58 HydrophobicContact CB-CE3 4.21Å; V32-W58 HydrophobicContact CB-CZ3 4.21Å; V32-W58 HydrophobicContact CG1-CE3 4.08Å; V32-W58 HydrophobicContact CG1-CZ3 4.11Å; V32-W58 HydrophobicContact CG2-CZ3 4.17Å
33	V	98.1	Very high	96.9	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-41.8	177	168.5	0	0	0	0	111.5	K29 L30 E31 A36 K37 W58 R59 E62	K29-V33 VanDerWaalsContact O-CG2 3.28Å; K29-V33 WeakPolarHBondContact O-CG2 3.47Å; K29-V33 PolarHBondContact O-N 3.24Å; L30-V33 PolarHBondContact O-N 2.92Å; E31-V33 VanDerWaalsContact C-N 3.32Å; E31-V33 PolarHBondContact O-N 3.33Å; V33-A36 PolarHBondContact O-N 3.46Å; V33-K37 PolarHBondContact O-N 3.14Å; V33-W58 HydrophobicContact CG2-CB 3.7Å; V33-R59 HydrophobicContact CG1-CB 4.42Å; V33-R59 HydrophobicContact CG1-CG 4.3Å; V33-R59 HydrophobicContact CG2-CB 4.27Å; V33-E62 HydrophobicContact CG1-CB 4.38Å; V33-E62 HydrophobicContact CG1-CG 4.08Å
34	K	98.2	Very high	97.2	Very high	113 Å²	113	50.3 Å²	50.3	49%	0.491	25%	0.245	S	C	.	.	H	α-helix	trans	-57.5	-53.6	175.9	-176	-172.6	173.9	-168	0	110.6	L30 E31 A36 K37 E38	L30-K34 PolarHBondContact O-N 2.7Å; E31-K34 PolarHBondContact O-N 3Å; K34-A36 VanDerWaalsContact C-N 3.27Å; K34-A36 PolarHBondContact O-N 3.37Å; K34-K37 WeakPolarHBondContact O-CB 3.34Å; K34-K37 PolarHBondContact O-N 2.89Å; K34-K37 VanDerWaalsContact O-N 3.07Å; K34-E38 WeakPolarHBondContact CE-OE1 3.39Å; K34-E38 PolarHBondContact O-N 2.92Å; K34-E38 VanDerWaalsContact O-N 3.13Å
35	T	97.9	Very high	97.3	Very high	10 Å²	10	49.3 Å²	49.3	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-38.7	176.6	-65.1	0	0	0	0	112	E31 K37 E38 S39 A44 K47 Y48	E31-T35 PolarHBondContact O-N 2.87Å; E31-T35 PolarHBondContact O-OG1 3.46Å; T35-K37 VanDerWaalsContact C-N 3.27Å; T35-K37 PolarHBondContact O-N 3.23Å; T35-E38 PolarHBondContact O-N 3.38Å; T35-S39 PolarHBondContact O-N 2.73Å; T35-S39 PolarHBondContact O-OG 2.73Å; T35-A44 HydrophobicContact CG2-CB 4.16Å; T35-K47 HydrophobicContact CG2-CD 4.04Å; T35-Y48 HydrophobicContact CG2-CE2 3.97Å; T35-Y48 PolarHBondContact OG1-OH 3.38Å
36	A	97.9	Very high	97.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-68.4	-24.5	179.4	0	0	0	0	0	113.7	V32 V33 K34 A44 V55	V32-A36 VanDerWaalsContact O-CB 3.29Å; V32-A36 WeakPolarHBondContact O-CB 3.26Å; V32-A36 PolarHBondContact O-N 3.34Å; V33-A36 PolarHBondContact O-N 3.46Å; K34-A36 VanDerWaalsContact C-N 3.27Å; K34-A36 PolarHBondContact O-N 3.37Å; A36-A44 HydrophobicContact CB-CB 3.75Å; A36-V55 HydrophobicContact CB-CG1 3.59Å
37	K	97.6	Very high	97.5	Very high	106 Å²	106	60.5 Å²	60.5	46%	0.461	29%	0.286	S	S	.	.	H	α-helix	trans	-78.6	-38.5	172.6	-76.5	-177.4	170.9	-176.5	0	112.4	V33 K34 T35 S39 E62	V33-K37 PolarHBondContact O-N 3.14Å; K34-K37 WeakPolarHBondContact O-CB 3.34Å; K34-K37 PolarHBondContact O-N 2.89Å; K34-K37 VanDerWaalsContact O-N 3.07Å; T35-K37 VanDerWaalsContact C-N 3.27Å; T35-K37 PolarHBondContact O-N 3.23Å; K37-S39 VanDerWaalsContact C-N 3.35Å; K37-E62 WeakPolarHBondContact CE-OE2 3.42Å; K37-E62 IonicContact NZ-OE1 2.62Å; K37-E62 PolarHBondContact NZ-OE1 3.4Å; K37-E62 IonicContact NZ-OE2 2.77Å; K37-E62 PolarHBondContact NZ-OE2 2.99Å
38	E	97.3	Very high	97.5	Very high	136 Å²	136	58.8 Å²	58.8	64%	0.636	28%	0.276	S	S	*	.	H	α-helix	trans	-72.8	-29.3	178.4	-68.3	165.9	180	0	0	112.4	K34 T35	K34-E38 WeakPolarHBondContact CE-OE1 3.39Å; K34-E38 PolarHBondContact O-N 2.92Å; K34-E38 VanDerWaalsContact O-N 3.13Å; T35-E38 PolarHBondContact O-N 3.38Å
39	S	95.1	Very high	97.4	Very high	48 Å²	48	57.6 Å²	57.6	34%	0.336	28%	0.283	S	S	.	.	S	Bend	trans	-120.2	-107.9	-178.7	64	0	0	0	0	111.5	T35 K37	T35-S39 PolarHBondContact O-N 2.73Å; T35-S39 PolarHBondContact O-OG 2.73Å; K37-S39 VanDerWaalsContact C-N 3.35Å
40	N	96.2	Very high	97.3	Very high	63 Å²	63	57 Å²	57	34%	0.337	28%	0.281	S	S	.	.			trans	-153.6	166.1	169	62.9	70.4	0	0	0	111	A42 Q43 A44	N40-A42 VanDerWaalsContact C-N 3.25Å; N40-A42 PolarHBondContact O-N 3Å; N40-A42 WeakPolarHBondContact OD1-CB 3.5Å; N40-A42 PolarHBondContact OD1-N 3.32Å; N40-Q43 PolarHBondContact ND2-NE2 3.37Å; N40-Q43 PolarHBondContact O-N 3.12Å; N40-Q43 PolarHBondContact OD1-N 3.02Å; N40-A44 PolarHBondContact O-N 2.98Å
41	N	97.1	Very high	97.1	Very high	33 Å²	33	57.4 Å²	57.4	18%	0.176	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-31.3	-176	-60	-33.8	0	0	0	113.4	A45 V55 I56 R59	N41-A45 VanDerWaalsContact O-CB 3.26Å; N41-A45 WeakPolarHBondContact O-CB 3.32Å; N41-A45 PolarHBondContact O-N 3.39Å; N41-V55 HydrophobicContact CB-CG1 4.15Å; N41-I56 HydrophobicContact CB-CG1 4.33Å; N41-R59 PolarHBondContact OD1-NH1 3.46Å
42	A	97.4	Very high	97.1	Very high	30 Å²	30	60.8 Å²	60.8	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-76.5	-41.8	-178.1	0	0	0	0	0	111.7	N40 A45 R46	N40-A42 VanDerWaalsContact C-N 3.25Å; N40-A42 PolarHBondContact O-N 3Å; N40-A42 WeakPolarHBondContact OD1-CB 3.5Å; N40-A42 PolarHBondContact OD1-N 3.32Å; A42-A45 PolarHBondContact O-N 3.34Å; A42-R46 WeakPolarHBondContact O-CG 3.5Å; A42-R46 PolarHBondContact O-N 2.94Å; A42-R46 VanDerWaalsContact O-N 3.08Å
43	Q	97.3	Very high	97	Very high	93 Å²	93	67 Å²	67	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-44.9	174.2	-75.2	179.9	4	0	0	111.4	N40 A45 R46 K47	N40-Q43 PolarHBondContact ND2-NE2 3.37Å; N40-Q43 PolarHBondContact O-N 3.12Å; N40-Q43 PolarHBondContact OD1-N 3.02Å; Q43-A45 PolarHBondContact O-N 3.15Å; Q43-R46 PolarHBondContact O-N 3.27Å; Q43-K47 WeakPolarHBondContact O-CB 3.4Å; Q43-K47 PolarHBondContact O-N 2.93Å
44	A	97.9	Very high	96.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.8	-44.9	174.8	0	0	0	0	0	112	T35 A36 N40 R46 K47 Y48 V55	T35-A44 HydrophobicContact CG2-CB 4.16Å; A36-A44 HydrophobicContact CB-CB 3.75Å; N40-A44 PolarHBondContact O-N 2.98Å; A44-R46 VanDerWaalsContact C-N 3.33Å; A44-R46 PolarHBondContact O-N 3.34Å; A44-K47 PolarHBondContact O-N 3.02Å; A44-Y48 VanDerWaalsContact O-CD2 3.28Å; A44-Y48 WeakPolarHBondContact O-CD2 3.18Å; A44-Y48 PolarHBondContact O-N 2.69Å; A44-V55 HydrophobicContact CB-CG1 4.27Å
45	A	97.6	Very high	96.9	Very high	10 Å²	10	64.2 Å²	64.2	8%	0.083	32%	0.317	C	S	.	.	H	α-helix	trans	-56.8	-45	176.7	0	0	0	0	0	112.6	N41 A42 Q43 G49 V50 R52 V55	N41-A45 VanDerWaalsContact O-CB 3.26Å; N41-A45 WeakPolarHBondContact O-CB 3.32Å; N41-A45 PolarHBondContact O-N 3.39Å; A42-A45 PolarHBondContact O-N 3.34Å; Q43-A45 PolarHBondContact O-N 3.15Å; A45-G49 PolarHBondContact O-N 3.17Å; A45-V50 WeakPolarHBondContact CA-O 3.29Å; A45-V50 VanDerWaalsContact CB-O 3.31Å; A45-V50 WeakPolarHBondContact CB-O 3.45Å; A45-V50 PolarHBondContact O-N 2.67Å; A45-V50 VanDerWaalsContact O-N 3.11Å; A45-R52 HydrophobicContact CB-CB 4.17Å; A45-V55 HydrophobicContact CB-CG2 4.03Å
46	R	97.3	Very high	96.9	Very high	176 Å²	176	66.8 Å²	66.8	66%	0.664	33%	0.329	S	S	*	.	H	α-helix	trans	-64.2	-49.4	175.8	-72.1	-170.5	-66.7	-103.6	6.1	112	A42 Q43 A44 Y48 G49	A42-R46 WeakPolarHBondContact O-CG 3.5Å; A42-R46 PolarHBondContact O-N 2.94Å; A42-R46 VanDerWaalsContact O-N 3.08Å; Q43-R46 PolarHBondContact O-N 3.27Å; A44-R46 VanDerWaalsContact C-N 3.33Å; A44-R46 PolarHBondContact O-N 3.34Å; R46-Y48 VanDerWaalsContact C-N 3.29Å; R46-Y48 PolarHBondContact O-N 3.43Å; R46-G49 PolarHBondContact O-N 2.92Å
47	K	97.7	Very high	96.8	Very high	140 Å²	140	69.2 Å²	69.2	61%	0.609	34%	0.342	S	S	*	.	H	α-helix	trans	-56.3	-42	-178.6	-174.8	-176.1	176.9	-170.4	0	112.4	T35 Q43 A44	T35-K47 HydrophobicContact CG2-CD 4.04Å; Q43-K47 WeakPolarHBondContact O-CB 3.4Å; Q43-K47 PolarHBondContact O-N 2.93Å; A44-K47 PolarHBondContact O-N 3.02Å
48	Y	96.7	Very high	96.8	Very high	54 Å²	54	65 Å²	65	21%	0.212	32%	0.324	C	S	.	.	H	α-helix	trans	-100.7	2	-174.6	-66.3	-79.9	0	0	0	114.5	F28 E31 V32 T35 A44 R46 V50	F28-Y48 AromaticContact CE2-CD1 3.93Å; F28-Y48 HydrophobicContact CE2-CD1 3.93Å; F28-Y48 HydrophobicContact CZ-CD1 4.14Å; F28-Y48 HydrophobicContact CZ-CG 4.43Å; E31-Y48 HydrophobicContact CG-CE1 4.33Å; E31-Y48 PolarHBondContact OE1-OH 3.43Å; V32-Y48 HydrophobicContact CB-CD2 4.33Å; V32-Y48 HydrophobicContact CG1-CD2 4.28Å; V32-Y48 HydrophobicContact CG2-CD1 4.01Å; V32-Y48 HydrophobicContact CG2-CD2 3.76Å; V32-Y48 HydrophobicContact CG2-CE1 4.43Å; V32-Y48 HydrophobicContact CG2-CE2 4.22Å; V32-Y48 HydrophobicContact CG2-CG 3.67Å; T35-Y48 HydrophobicContact CG2-CE2 3.97Å; T35-Y48 PolarHBondContact OG1-OH 3.38Å; A44-Y48 VanDerWaalsContact O-CD2 3.28Å; A44-Y48 WeakPolarHBondContact O-CD2 3.18Å; A44-Y48 PolarHBondContact O-N 2.69Å; R46-Y48 VanDerWaalsContact C-N 3.29Å; R46-Y48 PolarHBondContact O-N 3.43Å; Y48-V50 VanDerWaalsContact C-N 3.27Å; Y48-V50 PolarHBondContact O-N 2.87Å
49	G	95.4	Very high	96.8	Very high	43 Å²	43	63.3 Å²	63.3	44%	0.443	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	34.7	-179.3	0	0	0	0	0	114	R22 A45 R46	R22-G49 PolarHBondContact NH1-O 3.01Å; A45-G49 PolarHBondContact O-N 3.17Å; R46-G49 PolarHBondContact O-N 2.92Å
50	V	95.7	Very high	96.9	Very high	9 Å²	9	71.8 Å²	71.8	6%	0.055	34%	0.336	C	S	.	.			trans	-113.1	151.9	178.8	-63.2	0	0	0	0	110.7	Y24 F28 V32 A45 Y48 R52 V55 W58	Y24-V50 HydrophobicContact CE1-CG1 3.81Å; F28-V50 HydrophobicContact CE1-CG1 4.03Å; F28-V50 HydrophobicContact CZ-CG1 4.18Å; V32-V50 HydrophobicContact CG1-CG2 4.31Å; A45-V50 WeakPolarHBondContact CA-O 3.29Å; A45-V50 VanDerWaalsContact CB-O 3.31Å; A45-V50 WeakPolarHBondContact CB-O 3.45Å; A45-V50 PolarHBondContact O-N 2.67Å; A45-V50 VanDerWaalsContact O-N 3.11Å; Y48-V50 VanDerWaalsContact C-N 3.27Å; Y48-V50 PolarHBondContact O-N 2.87Å; V50-R52 PolarHBondContact O-N 2.94Å; V50-V55 HydrophobicContact CG2-CG2 3.61Å; V50-W58 HydrophobicContact CG1-CH2 4.2Å; V50-W58 HydrophobicContact CG1-CZ3 4.31Å; V50-W58 HydrophobicContact CG2-CZ3 4.42Å
51	A	95.3	Very high	96.8	Very high	57 Å²	57	72.6 Å²	72.6	47%	0.471	34%	0.338	S	S	.	.			trans	-66.2	136.9	177.4	0	0	0	0	0	111.1	K53 M54 V55	A51-K53 PolarHBondContact O-N 3.39Å; A51-K53 VanDerWaalsContact O-N 3.12Å; A51-M54 HydrophobicContact CB-CG 4.16Å; A51-M54 HydrophobicContact CB-SD 4.26Å; A51-M54 WeakPolarHBondContact O-CB 3.45Å; A51-M54 PolarHBondContact O-N 3.45Å; A51-V55 PolarHBondContact O-N 3.28Å
52	R	96.4	Very high	96.7	Very high	154 Å²	154	72.4 Å²	72.4	58%	0.581	34%	0.336	S	S	*	.	H	α-helix	trans	-51.2	-39.3	179.2	-176.5	-176.4	177.2	-136.4	1.6	112.9	A45 V50 M54 V55 I56	A45-R52 HydrophobicContact CB-CB 4.17Å; V50-R52 PolarHBondContact O-N 2.94Å; R52-M54 VanDerWaalsContact C-N 3.26Å; R52-M54 PolarHBondContact O-N 3.03Å; R52-V55 WeakPolarHBondContact O-CB 3.49Å; R52-V55 PolarHBondContact O-N 3.43Å; R52-I56 HydrophobicContact CG-CD1 4.19Å; R52-I56 WeakPolarHBondContact O-CG1 3.48Å; R52-I56 PolarHBondContact O-N 2.92Å; R52-I56 VanDerWaalsContact O-N 3.12Å
53	K	96.4	Very high	96.6	Very high	129 Å²	129	76.2 Å²	76.2	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-57.1	-38.9	176.6	-177.3	61.7	170.1	73.9	0	112.4	A51 I56 D57	A51-K53 PolarHBondContact O-N 3.39Å; A51-K53 VanDerWaalsContact O-N 3.12Å; K53-I56 PolarHBondContact O-N 3Å; K53-D57 IonicContact NZ-OD1 2.64Å; K53-D57 PolarHBondContact NZ-OD1 3.44Å; K53-D57 IonicContact NZ-OD2 2.72Å; K53-D57 PolarHBondContact NZ-OD2 3.26Å; K53-D57 VanDerWaalsContact O-CG 3.25Å; K53-D57 PolarHBondContact O-N 3.08Å
54	M	96.6	Very high	96.4	Very high	56 Å²	56	73 Å²	73	28%	0.276	34%	0.338	S	S	.	.	H	α-helix	trans	-67.1	-40.1	179	-60.8	179.9	67.9	0	0	111.5	Y24 A51 R52 I56 D57 W58	Y24-M54 HydrophobicContact CD2-CE 3.66Å; Y24-M54 HydrophobicContact CE2-CE 3.39Å; Y24-M54 HydrophobicContact CE2-SD 4.34Å; A51-M54 HydrophobicContact CB-CG 4.16Å; A51-M54 HydrophobicContact CB-SD 4.26Å; A51-M54 WeakPolarHBondContact O-CB 3.45Å; A51-M54 PolarHBondContact O-N 3.45Å; R52-M54 VanDerWaalsContact C-N 3.26Å; R52-M54 PolarHBondContact O-N 3.03Å; M54-I56 VanDerWaalsContact C-N 3.34Å; M54-I56 PolarHBondContact O-N 3.2Å; M54-D57 PolarHBondContact O-N 3.33Å; M54-W58 HydrophobicContact CB-CD2 4.46Å; M54-W58 HydrophobicContact CB-CH2 4.29Å; M54-W58 HydrophobicContact CB-CZ2 4.11Å; M54-W58 HydrophobicContact CE-CH2 3.77Å; M54-W58 HydrophobicContact CE-CZ2 3.27Å; M54-W58 WeakPolarHBondContact O-CB 3.46Å; M54-W58 VanDerWaalsContact O-CD2 3.32Å; M54-W58 PolarHBondContact O-N 3.28Å
55	V	97.9	Very high	96.2	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-46.1	176	-176.4	0	0	0	0	110.5	V32 A36 N41 A44 A45 V50 A51 R52 D57 W58 R59	V32-V55 HydrophobicContact CG1-CB 4.46Å; V32-V55 HydrophobicContact CG1-CG1 4.14Å; V32-V55 HydrophobicContact CG1-CG2 3.83Å; A36-V55 HydrophobicContact CB-CG1 3.59Å; N41-V55 HydrophobicContact CB-CG1 4.15Å; A44-V55 HydrophobicContact CB-CG1 4.27Å; A45-V55 HydrophobicContact CB-CG2 4.03Å; V50-V55 HydrophobicContact CG2-CG2 3.61Å; A51-V55 PolarHBondContact O-N 3.28Å; R52-V55 WeakPolarHBondContact O-CB 3.49Å; R52-V55 PolarHBondContact O-N 3.43Å; V55-D57 PolarHBondContact O-N 3.07Å; V55-W58 PolarHBondContact O-N 3.29Å; V55-R59 VanDerWaalsContact O-CB 3.32Å; V55-R59 WeakPolarHBondContact O-CB 3.35Å; V55-R59 PolarHBondContact O-N 3.24Å
56	I	97.8	Very high	96.1	Very high	64 Å²	64	77.9 Å²	77.9	33%	0.328	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-48.2	176.6	-65.3	167.4	0	0	0	110.5	N41 R52 K53 M54 R59 R60	N41-I56 HydrophobicContact CB-CG1 4.33Å; R52-I56 HydrophobicContact CG-CD1 4.19Å; R52-I56 WeakPolarHBondContact O-CG1 3.48Å; R52-I56 PolarHBondContact O-N 2.92Å; R52-I56 VanDerWaalsContact O-N 3.12Å; K53-I56 PolarHBondContact O-N 3Å; M54-I56 VanDerWaalsContact C-N 3.34Å; M54-I56 PolarHBondContact O-N 3.2Å; I56-R59 PolarHBondContact O-N 2.91Å; I56-R60 PolarHBondContact O-N 2.67Å
57	D	97	Very high	95.8	Very high	52 Å²	52	78 Å²	78	28%	0.278	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-42.2	-178.9	-70.1	-20	0	0	0	112.4	K53 M54 V55 R59 R60 Q61	K53-D57 IonicContact NZ-OD1 2.64Å; K53-D57 PolarHBondContact NZ-OD1 3.44Å; K53-D57 IonicContact NZ-OD2 2.72Å; K53-D57 PolarHBondContact NZ-OD2 3.26Å; K53-D57 VanDerWaalsContact O-CG 3.25Å; K53-D57 PolarHBondContact O-N 3.08Å; M54-D57 PolarHBondContact O-N 3.33Å; V55-D57 PolarHBondContact O-N 3.07Å; D57-R59 VanDerWaalsContact C-N 3.33Å; D57-R60 PolarHBondContact O-N 2.77Å; D57-Q61 WeakPolarHBondContact O-CB 3.44Å; D57-Q61 VanDerWaalsContact O-CG 3.26Å; D57-Q61 WeakPolarHBondContact O-CG 3.45Å; D57-Q61 PolarHBondContact O-N 3.46Å
58	W	97.2	Very high	95.4	Very high	18 Å²	18	72.2 Å²	72.2	7%	0.068	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-37.9	176.9	-64.4	-18.5	0	0	0	112	Y24 F28 K29 V32 V33 V50 M54 V55 Q61 E62 L65	Y24-W58 HydrophobicContact CD1-CH2 4.26Å; Y24-W58 AromaticContact CD2-CH2 3.68Å; Y24-W58 HydrophobicContact CD2-CH2 3.68Å; Y24-W58 AromaticContact CD2-CZ2 3.67Å; Y24-W58 HydrophobicContact CD2-CZ2 3.67Å; Y24-W58 HydrophobicContact CE2-CH2 4.13Å; Y24-W58 HydrophobicContact CE2-CZ2 4.33Å; Y24-W58 AromaticContact CG-CH2 3.74Å; Y24-W58 HydrophobicContact CG-CH2 3.74Å; Y24-W58 HydrophobicContact CG-CZ2 4Å; F28-W58 HydrophobicContact CD1-CH2 4.47Å; F28-W58 HydrophobicContact CD1-CZ3 4.47Å; F28-W58 HydrophobicContact CE1-CH2 4.18Å; F28-W58 HydrophobicContact CE1-CZ3 4.14Å; K29-W58 HydrophobicContact CB-CD2 3.89Å; K29-W58 HydrophobicContact CB-CE3 4.03Å; K29-W58 HydrophobicContact CB-CG 4.13Å; K29-W58 HydrophobicContact CD-CD2 4.05Å; K29-W58 HydrophobicContact CD-CG 4.18Å; K29-W58 HydrophobicContact CD-CZ2 4.08Å; K29-W58 HydrophobicContact CG-CD2 3.64Å; K29-W58 HydrophobicContact CG-CE3 3.93Å; K29-W58 HydrophobicContact CG-CG 4.15Å; K29-W58 HydrophobicContact CG-CH2 4.01Å; K29-W58 HydrophobicContact CG-CZ2 3.71Å; K29-W58 HydrophobicContact CG-CZ3 4.12Å; V32-W58 HydrophobicContact CB-CE3 4.21Å; V32-W58 HydrophobicContact CB-CZ3 4.21Å; V32-W58 HydrophobicContact CG1-CE3 4.08Å; V32-W58 HydrophobicContact CG1-CZ3 4.11Å; V32-W58 HydrophobicContact CG2-CZ3 4.17Å; V33-W58 HydrophobicContact CG2-CB 3.7Å; V50-W58 HydrophobicContact CG1-CH2 4.2Å; V50-W58 HydrophobicContact CG1-CZ3 4.31Å; V50-W58 HydrophobicContact CG2-CZ3 4.42Å; M54-W58 HydrophobicContact CB-CD2 4.46Å; M54-W58 HydrophobicContact CB-CH2 4.29Å; M54-W58 HydrophobicContact CB-CZ2 4.11Å; M54-W58 HydrophobicContact CE-CH2 3.77Å; M54-W58 HydrophobicContact CE-CZ2 3.27Å; M54-W58 WeakPolarHBondContact O-CB 3.46Å; M54-W58 VanDerWaalsContact O-CD2 3.32Å; M54-W58 PolarHBondContact O-N 3.28Å; V55-W58 PolarHBondContact O-N 3.29Å; W58-Q61 CarbonylContact O-C 3.31Å; W58-Q61 VanDerWaalsContact O-C 3.31Å; W58-Q61 PolarHBondContact O-N 3.03Å; W58-Q61 VanDerWaalsContact O-N 3.13Å; W58-E62 PolarHBondContact O-N 3.4Å; W58-L65 HydrophobicContact CB-CD1 3.91Å; W58-L65 HydrophobicContact CG-CD1 4.35Å
59	R	97.1	Very high	95.1	Very high	101 Å²	101	73.6 Å²	73.6	38%	0.381	35%	0.354	S	S	.	.	H	α-helix	trans	-65.2	-40.9	175.5	-170.2	172.3	167.9	-175.1	-1.6	111.5	V33 N41 V55 I56 D57 Q61 E62	V33-R59 HydrophobicContact CG1-CB 4.42Å; V33-R59 HydrophobicContact CG1-CG 4.3Å; V33-R59 HydrophobicContact CG2-CB 4.27Å; N41-R59 PolarHBondContact OD1-NH1 3.46Å; V55-R59 VanDerWaalsContact O-CB 3.32Å; V55-R59 WeakPolarHBondContact O-CB 3.35Å; V55-R59 PolarHBondContact O-N 3.24Å; I56-R59 PolarHBondContact O-N 2.91Å; D57-R59 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 3.25Å; R59-E62 WeakPolarHBondContact O-CB 3.46Å; R59-E62 PolarHBondContact O-N 3.46Å
60	R	96.7	Very high	95	Very high	226 Å²	226	78 Å²	78	85%	0.853	36%	0.36	S	S	*	.	H	α-helix	trans	-63.5	-28.9	172.3	-172.3	176.9	179.7	-174.9	1.4	112.6	I56 D57	I56-R60 PolarHBondContact O-N 2.67Å; D57-R60 PolarHBondContact O-N 2.77Å
61	Q	94.2	Very high	94.9	Very high	80 Å²	80	85.9 Å²	85.9	37%	0.374	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	15.3	-177.9	-64.3	179.3	7.7	0	0	113.6	D57 W58 R59 E63 A64 L65 R75	D57-Q61 WeakPolarHBondContact O-CB 3.44Å; D57-Q61 VanDerWaalsContact O-CG 3.26Å; D57-Q61 WeakPolarHBondContact O-CG 3.45Å; D57-Q61 PolarHBondContact O-N 3.46Å; W58-Q61 CarbonylContact O-C 3.31Å; W58-Q61 VanDerWaalsContact O-C 3.31Å; W58-Q61 PolarHBondContact O-N 3.03Å; W58-Q61 VanDerWaalsContact O-N 3.13Å; R59-Q61 PolarHBondContact O-N 3.25Å; Q61-E63 PolarHBondContact O-N 2.98Å; Q61-A64 WeakPolarHBondContact O-CB 3.43Å; Q61-A64 PolarHBondContact O-N 2.87Å; Q61-L65 PolarHBondContact O-N 2.62Å; Q61-R75 VanDerWaalsContact CD-NH2 3.3Å; Q61-R75 VanDerWaalsContact OE1-NH2 3.11Å
62	E	95.8	Very high	94.7	Very high	28 Å²	28	86.2 Å²	86.2	13%	0.131	39%	0.386	C	S	.	.	H	α-helix	trans	-54.7	-48.4	-171.4	-179.2	-175.5	166.9	0	0	112.9	L30 V33 K37 W58 R59 A64 L65 K66	L30-E62 HydrophobicContact CD2-CG 4.41Å; V33-E62 HydrophobicContact CG1-CB 4.38Å; V33-E62 HydrophobicContact CG1-CG 4.08Å; K37-E62 WeakPolarHBondContact CE-OE2 3.42Å; K37-E62 IonicContact NZ-OE1 2.62Å; K37-E62 PolarHBondContact NZ-OE1 3.4Å; K37-E62 IonicContact NZ-OE2 2.77Å; K37-E62 PolarHBondContact NZ-OE2 2.99Å; W58-E62 PolarHBondContact O-N 3.4Å; R59-E62 WeakPolarHBondContact O-CB 3.46Å; R59-E62 PolarHBondContact O-N 3.46Å; E62-A64 PolarHBondContact O-N 3.48Å; E62-L65 WeakPolarHBondContact O-CA 3.36Å; E62-L65 WeakPolarHBondContact O-CB 3.34Å; E62-L65 PolarHBondContact O-N 2.89Å; E62-K66 HydrophobicContact CG-CD 4.49Å; E62-K66 PolarHBondContact O-N 3.47Å; E62-K66 VanDerWaalsContact OE1-CE 3.25Å; E62-K66 WeakPolarHBondContact OE1-CE 3.48Å; E62-K66 IonicContact OE1-NZ 2.78Å; E62-K66 PolarHBondContact OE1-NZ 3.41Å
63	E	95.2	Very high	94.5	Very high	111 Å²	111	85.1 Å²	85.1	52%	0.519	38%	0.382	S	S	.	.	H	α-helix	trans	-61.7	-34.6	179.7	-65.1	-50.5	121	0	0	112.4	Q61 K66 K67	Q61-E63 PolarHBondContact O-N 2.98Å; E63-K66 IonicContact OE1-NZ 3.32Å; E63-K66 PolarHBondContact OE1-NZ 2.94Å; E63-K67 WeakPolarHBondContact O-CG 3.3Å; E63-K67 PolarHBondContact O-N 3.39Å
64	A	92	Very high	94	Very high	26 Å²	26	80.8 Å²	80.8	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-75.1	-27	174.6	0	0	0	0	0	113.1	Q61 E62	Q61-A64 WeakPolarHBondContact O-CB 3.43Å; Q61-A64 PolarHBondContact O-N 2.87Å; E62-A64 PolarHBondContact O-N 3.48Å
65	L	94.1	Very high	93.3	Very high	2 Å²	2	83.6 Å²	83.6	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-73.9	-36.7	173.6	-70.8	171.3	0	0	0	111.3	K29 L30 W58 Q61 E62 K67 M68	K29-L65 HydrophobicContact CB-CD1 3.89Å; K29-L65 HydrophobicContact CB-CD2 4.34Å; K29-L65 HydrophobicContact CD-CD1 4.4Å; K29-L65 HydrophobicContact CD-CD2 3.73Å; L30-L65 HydrophobicContact CD2-CB 3.74Å; L30-L65 HydrophobicContact CG-CB 4.08Å; W58-L65 HydrophobicContact CB-CD1 3.91Å; W58-L65 HydrophobicContact CG-CD1 4.35Å; Q61-L65 PolarHBondContact O-N 2.62Å; E62-L65 WeakPolarHBondContact O-CA 3.36Å; E62-L65 WeakPolarHBondContact O-CB 3.34Å; E62-L65 PolarHBondContact O-N 2.89Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.21Å; L65-M68 HydrophobicContact CD2-CE 4.41Å; L65-M68 WeakPolarHBondContact O-CB 3.33Å; L65-M68 PolarHBondContact O-N 2.85Å; L65-M68 VanDerWaalsContact O-N 3.13Å
66	K	94.8	Very high	92.1	Very high	110 Å²	110	94.1 Å²	94.1	48%	0.478	42%	0.417	S	S	.	.	H	α-helix	trans	-62.3	-36.8	174.8	-71.8	174.9	-176.7	159.3	0	112.7	L30 E62 E63 M68	L30-K66 HydrophobicContact CD2-CG 3.97Å; E62-K66 HydrophobicContact CG-CD 4.49Å; E62-K66 PolarHBondContact O-N 3.47Å; E62-K66 VanDerWaalsContact OE1-CE 3.25Å; E62-K66 WeakPolarHBondContact OE1-CE 3.48Å; E62-K66 IonicContact OE1-NZ 2.78Å; E62-K66 PolarHBondContact OE1-NZ 3.41Å; E63-K66 IonicContact OE1-NZ 3.32Å; E63-K66 PolarHBondContact OE1-NZ 2.94Å; K66-M68 PolarHBondContact O-N 3.28Å
67	K	91.5	Very high	90.7	Very high	178 Å²	178	93.6 Å²	93.6	77%	0.774	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.2	176.5	-65.8	175.6	-175.5	-175.7	0	113.6	E63 L65	E63-K67 WeakPolarHBondContact O-CG 3.3Å; E63-K67 PolarHBondContact O-N 3.39Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.21Å
68	M	89	Confident	89.4	Confident	19 Å²	19	93.9 Å²	93.9	9%	0.094	43%	0.434	C	S	.	.	S	Bend	trans	-89.9	140.1	-177.7	-173.9	-174.3	-61.4	0	0	110.9	A26 L65 K66 K70 Q72 R75	A26-M68 HydrophobicContact CB-CB 4.19Å; A26-M68 HydrophobicContact CB-CG 4.09Å; A26-M68 HydrophobicContact CB-SD 3.69Å; L65-M68 HydrophobicContact CD2-CE 4.41Å; L65-M68 WeakPolarHBondContact O-CB 3.33Å; L65-M68 PolarHBondContact O-N 2.85Å; L65-M68 VanDerWaalsContact O-N 3.13Å; K66-M68 PolarHBondContact O-N 3.28Å; M68-K70 PolarHBondContact O-N 3.39Å; M68-Q72 HydrophobicContact CG-CB 3.67Å; M68-Q72 HydrophobicContact CG-CG 3.88Å; M68-Q72 HydrophobicContact SD-CB 3.64Å; M68-Q72 HydrophobicContact SD-CG 3.59Å; M68-Q72 VanDerWaalsContact SD-CG 3.59Å; M68-Q72 VanDerWaalsContact SD-O 3.37Å; M68-R75 HydrophobicContact CE-CB 4.39Å; M68-R75 HydrophobicContact CE-CG 3.2Å
69	P	91.1	Very high	88.6	Confident	83 Å²	83	98.3 Å²	98.3	54%	0.539	46%	0.463	S	S	.	.			trans	-50.2	132.7	166.2	-26.2	31.4	0	0	0	112.4	K71 Q72	P69-K71 VanDerWaalsContact C-N 3.28Å; P69-K71 PolarHBondContact O-N 3.02Å; P69-K71 VanDerWaalsContact O-N 3.1Å; P69-Q72 HydrophobicContact CB-CB 4.25Å; P69-Q72 VanDerWaalsContact CD-OE1 3.3Å; P69-Q72 VanDerWaalsContact O-CB 3.31Å; P69-Q72 WeakPolarHBondContact O-CB 3.4Å; P69-Q72 PolarHBondContact O-N 3.41Å
70	K	93.1	Very high	88.2	Confident	134 Å²	134	94.4 Å²	94.4	58%	0.583	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-44.4	-173.5	-71.4	-175.5	164.7	-150.6	0	114.6	A26 E27 M68 Q72	A26-K70 PolarHBondContact N-O 3.48Å; A26-K70 VanDerWaalsContact N-O 3.13Å; E27-K70 HydrophobicContact CB-CB 4.14Å; E27-K70 HydrophobicContact CB-CG 4.47Å; E27-K70 PolarHBondContact N-O 2.96Å; E27-K70 VanDerWaalsContact N-O 3.16Å; E27-K70 IonicContact OE1-NZ 3.13Å; E27-K70 PolarHBondContact OE1-NZ 3.36Å; M68-K70 PolarHBondContact O-N 3.39Å; K70-Q72 VanDerWaalsContact C-N 3.32Å; K70-Q72 PolarHBondContact O-N 3.33Å
71	K	93.6	Very high	87.9	Confident	176 Å²	176	88.3 Å²	88.3	77%	0.765	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.8	-177.5	-65	-177.6	178.9	179.1	0	113.8	P69	P69-K71 VanDerWaalsContact C-N 3.28Å; P69-K71 PolarHBondContact O-N 3.02Å; P69-K71 VanDerWaalsContact O-N 3.1Å
72	Q	90.6	Very high	88	Confident	64 Å²	64	87 Å²	87	30%	0.299	44%	0.436	S	S	.	.			trans	-75.3	138.6	-177	-178	175.3	-5.7	0	0	111.1	A26 M68 P69 K70 A74	A26-Q72 PolarHBondContact N-O 2.92Å; M68-Q72 HydrophobicContact CG-CB 3.67Å; M68-Q72 HydrophobicContact CG-CG 3.88Å; M68-Q72 HydrophobicContact SD-CB 3.64Å; M68-Q72 HydrophobicContact SD-CG 3.59Å; M68-Q72 VanDerWaalsContact SD-CG 3.59Å; M68-Q72 VanDerWaalsContact SD-O 3.37Å; P69-Q72 HydrophobicContact CB-CB 4.25Å; P69-Q72 VanDerWaalsContact CD-OE1 3.3Å; P69-Q72 VanDerWaalsContact O-CB 3.31Å; P69-Q72 WeakPolarHBondContact O-CB 3.4Å; P69-Q72 PolarHBondContact O-N 3.41Å; K70-Q72 VanDerWaalsContact C-N 3.32Å; K70-Q72 PolarHBondContact O-N 3.33Å; Q72-A74 PolarHBondContact NE2-O 3.24Å
73	R	92.5	Very high	87.9	Confident	131 Å²	131	88.1 Å²	88.1	49%	0.494	45%	0.446	S	S	.	.			trans	-99.6	-24.1	-173	-62.9	176.4	118.2	162.4	-2.3	114.2	S23 Y24 Q25 K29	S23-R73 VanDerWaalsContact O-CZ 3.3Å; S23-R73 PolarHBondContact O-NE 3.4Å; S23-R73 VanDerWaalsContact O-NE 3.12Å; S23-R73 PolarHBondContact O-NH2 3.25Å; S23-R73 PolarHBondContact OG-NE 3.13Å; S23-R73 PolarHBondContact OG-NH1 2.77Å; S23-R73 PolarHBondContact OG-NH2 2.96Å; Y24-R73 VanDerWaalsContact O-CA 3.26Å; Y24-R73 WeakPolarHBondContact O-CA 3.27Å; Q25-R73 HydrophobicContact CG-CG 4.17Å; K29-R73 PolarHBondContact NZ-O 3.25Å
74	A	86.1	Confident	87.9	Confident	37 Å²	37	87.2 Å²	87.2	31%	0.306	44%	0.442	S	S	.	.			trans	-157.6	152	-177.9	0	0	0	0	0	112.3	Q72 R76	Q72-A74 PolarHBondContact NE2-O 3.24Å; A74-R76 HydrophobicContact CB-CG 3.89Å; A74-R76 PolarHBondContact O-N 3.44Å; A74-R76 VanDerWaalsContact O-N 3.11Å
75	R	80.9	Confident	88.1	Confident	115 Å²	115	86 Å²	86	43%	0.434	43%	0.432	S	S	.	.			trans	-83.8	51.3	174	-64	-177.4	-78.7	163.2	-4.1	111.9	Q61 M68 S77	Q61-R75 VanDerWaalsContact CD-NH2 3.3Å; Q61-R75 VanDerWaalsContact OE1-NH2 3.11Å; M68-R75 HydrophobicContact CE-CB 4.39Å; M68-R75 HydrophobicContact CE-CG 3.2Å; R75-S77 VanDerWaalsContact C-N 3.3Å; R75-S77 PolarHBondContact O-N 3.44Å
76	R	74.4	Confident	88.3	Confident	222 Å²	222	86 Å²	86	84%	0.838	43%	0.432	S	S	*	.	S	Bend	trans	-69.6	-26.5	-175.4	-66.9	-174.5	-175.2	142.6	-2.4	113.7	A74	A74-R76 HydrophobicContact CB-CG 3.89Å; A74-R76 PolarHBondContact O-N 3.44Å; A74-R76 VanDerWaalsContact O-N 3.11Å
77	S	67.7	Low	88.3	Confident	53 Å²	53	84.8 Å²	84.8	37%	0.371	43%	0.43	S	S	.	.	S	Bend	trans	-114	2.6	-174.7	53.2	0	0	0	0	113.9	R75	R75-S77 VanDerWaalsContact C-N 3.3Å; R75-S77 PolarHBondContact O-N 3.44Å
78	G	70.2	Confident	88.6	Confident	57 Å²	57	78 Å²	78	59%	0.588	41%	0.408	S	S	*	.	S	Bend	trans	-81.9	-29.3	-166	0	0	0	0	0	115.2
79	T	81	Confident	89	Confident	111 Å²	111	77.4 Å²	77.4	68%	0.681	41%	0.405	S	S	*	.			trans	-115.9	128.4	-172.3	-47.8	0	0	0	0	110
80	A	88.6	Confident	89.2	Confident	20 Å²	20	73.5 Å²	73.5	17%	0.165	38%	0.379	C	S	.	.			trans	-76.1	131	168.3	0	0	0	0	0	108.8	W82 P83 E86	A80-W82 VanDerWaalsContact C-N 3.26Å; A80-P83 HydrophobicContact CB-CB 4.38Å; A80-E86 VanDerWaalsContact CB-CD 3.42Å; A80-E86 HydrophobicContact CB-CG 4.39Å; A80-E86 VanDerWaalsContact CB-OE1 3.29Å; A80-E86 WeakPolarHBondContact CB-OE1 3.29Å
81	S	90.5	Very high	89.4	Confident	97 Å²	97	70.4 Å²	70.4	68%	0.678	37%	0.367	S	S	*	.	S	Bend	trans	-72.2	-25.3	173.1	-56.5	0	0	0	0	112.2
82	W	94.9	Very high	89.5	Confident	54 Å²	54	64 Å²	64	21%	0.205	34%	0.338	C	S	.	.	S	Bend	trans	-128.4	72.3	179.7	-55.6	-78.6	0	0	0	109.5	A80 E84 L85 E86 L122 Y124 F126	A80-W82 VanDerWaalsContact C-N 3.26Å; W82-E84 VanDerWaalsContact C-N 3.34Å; W82-E84 PolarHBondContact O-N 3.47Å; W82-L85 HydrophobicContact CB-CB 3.87Å; W82-L85 HydrophobicContact CB-CD1 4.46Å; W82-L85 PolarHBondContact O-N 2.9Å; W82-E86 WeakPolarHBondContact O-CG 3.19Å; W82-E86 PolarHBondContact O-N 3.32Å; W82-L122 VanDerWaalsContact CD1-O 3.25Å; W82-Y124 PolarHBondContact NE1-O 2.92Å; W82-F126 HydrophobicContact CD2-CB 4.42Å; W82-F126 AromaticContact CD2-CD2 3.7Å; W82-F126 HydrophobicContact CD2-CD2 3.7Å; W82-F126 HydrophobicContact CD2-CG 4.49Å; W82-F126 AromaticContact CE3-CD2 3.58Å; W82-F126 HydrophobicContact CE3-CD2 3.58Å; W82-F126 HydrophobicContact CE3-CE2 4.07Å; W82-F126 HydrophobicContact CG-CD2 4.33Å; W82-F126 HydrophobicContact CH2-CD2 4.13Å; W82-F126 HydrophobicContact CZ2-CB 4.17Å; W82-F126 HydrophobicContact CZ2-CD2 4.23Å; W82-F126 AromaticContact CZ3-CD2 3.81Å; W82-F126 HydrophobicContact CZ3-CD2 3.81Å; W82-F126 HydrophobicContact CZ3-CE2 4.32Å
83	P	93.4	Very high	89.8	Confident	51 Å²	51	61 Å²	61	33%	0.331	32%	0.324	S	S	.	.	H	α-helix	trans	-63.3	-37.6	-172.6	20.8	-26.1	0	0	0	112.9	A80 E86 N87	A80-P83 HydrophobicContact CB-CB 4.38Å; P83-E86 PolarHBondContact O-N 3.01Å; P83-N87 WeakPolarHBondContact O-CB 3.26Å; P83-N87 PolarHBondContact O-N 3.31Å; P83-N87 PolarHBondContact O-ND2 2.87Å; P83-N87 PolarHBondContact O-OD1 3Å
84	E	95.7	Very high	89.8	Confident	92 Å²	92	59.8 Å²	59.8	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-64.5	-45.9	178.5	-64.7	70.1	-152.3	0	0	111.1	W82 E86 N87 A88 W115 L122	W82-E84 VanDerWaalsContact C-N 3.34Å; W82-E84 PolarHBondContact O-N 3.47Å; E84-E86 PolarHBondContact O-N 2.93Å; E84-N87 WeakPolarHBondContact O-CB 3.47Å; E84-N87 PolarHBondContact O-N 2.93Å; E84-A88 PolarHBondContact O-N 3.35Å; E84-W115 HydrophobicContact CB-CH2 4.14Å; E84-W115 HydrophobicContact CB-CZ2 4.46Å; E84-L122 HydrophobicContact CB-CD1 4.25Å; E84-L122 HydrophobicContact CG-CD1 4.43Å
85	L	97.1	Very high	90.1	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-59	-48.4	174.8	-176	162.5	0	0	0	110.5	W82 N87 A88 L89 A112 W115 A116 F126 W132	W82-L85 HydrophobicContact CB-CB 3.87Å; W82-L85 HydrophobicContact CB-CD1 4.46Å; W82-L85 PolarHBondContact O-N 2.9Å; L85-N87 VanDerWaalsContact C-N 3.29Å; L85-N87 PolarHBondContact O-N 3.33Å; L85-A88 PolarHBondContact O-N 2.9Å; L85-L89 VanDerWaalsContact O-CB 3.31Å; L85-L89 WeakPolarHBondContact O-CB 3.32Å; L85-L89 PolarHBondContact O-N 3.27Å; L85-A112 HydrophobicContact CD2-CB 4.14Å; L85-W115 HydrophobicContact CB-CD2 4.39Å; L85-W115 HydrophobicContact CB-CE3 3.68Å; L85-W115 HydrophobicContact CB-CH2 4.1Å; L85-W115 HydrophobicContact CB-CZ3 3.52Å; L85-W115 HydrophobicContact CD1-CE3 3.79Å; L85-W115 HydrophobicContact CD1-CZ3 4.12Å; L85-W115 HydrophobicContact CG-CD2 4.24Å; L85-W115 HydrophobicContact CG-CE3 3.59Å; L85-W115 HydrophobicContact CG-CZ3 3.96Å; L85-A116 HydrophobicContact CD1-CB 4.28Å; L85-F126 HydrophobicContact CD1-CD1 3.74Å; L85-F126 HydrophobicContact CD1-CD2 3.98Å; L85-F126 HydrophobicContact CD1-CE1 3.74Å; L85-F126 HydrophobicContact CD1-CE2 4Å; L85-F126 HydrophobicContact CD1-CG 3.85Å; L85-F126 HydrophobicContact CD1-CZ 3.88Å; L85-F126 HydrophobicContact CD2-CE2 4.45Å; L85-F126 HydrophobicContact CD2-CZ 4.21Å; L85-W132 HydrophobicContact CD2-CH2 3.88Å; L85-W132 HydrophobicContact CD2-CZ2 3.57Å
86	E	96.6	Very high	90.7	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.009	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-32.5	178.9	-70.5	-171.6	-151.8	0	0	112.3	A80 W82 P83 E84 A90 W132 F136 R139 K140	A80-E86 VanDerWaalsContact CB-CD 3.42Å; A80-E86 HydrophobicContact CB-CG 4.39Å; A80-E86 VanDerWaalsContact CB-OE1 3.29Å; A80-E86 WeakPolarHBondContact CB-OE1 3.29Å; W82-E86 WeakPolarHBondContact O-CG 3.19Å; W82-E86 PolarHBondContact O-N 3.32Å; P83-E86 PolarHBondContact O-N 3.01Å; E84-E86 PolarHBondContact O-N 2.93Å; E86-A90 WeakPolarHBondContact O-CB 3.47Å; E86-A90 PolarHBondContact O-N 3.13Å; E86-W132 HydrophobicContact CG-CZ2 4.14Å; E86-F136 HydrophobicContact CB-CD2 3.85Å; E86-F136 HydrophobicContact CB-CE2 4.08Å; E86-F136 HydrophobicContact CG-CD2 3.66Å; E86-F136 HydrophobicContact CG-CE2 4.34Å; E86-F136 WeakPolarHBondContact O-CE2 3.41Å; E86-R139 IonicContact OE1-CZ 2.89Å; E86-R139 VanDerWaalsContact OE1-CZ 3.22Å; E86-R139 IonicContact OE1-NE 3.88Å; E86-R139 PolarHBondContact OE1-NE 2.96Å; E86-R139 IonicContact OE1-NH2 2.74Å; E86-R139 PolarHBondContact OE1-NH2 3.07Å; E86-R139 IonicContact OE2-CZ 2.83Å; E86-R139 VanDerWaalsContact OE2-CZ 3.32Å; E86-R139 IonicContact OE2-NE 3.22Å; E86-R139 PolarHBondContact OE2-NE 3.32Å; E86-R139 IonicContact OE2-NH2 2.6Å; E86-R139 PolarHBondContact OE2-NH2 3.16Å; E86-R139 VanDerWaalsContact OE2-NH2 3.13Å; E86-K140 WeakPolarHBondContact O-CE 3.36Å
87	N	96.3	Very high	91.5	Very high	83 Å²	83	50 Å²	50	44%	0.444	28%	0.279	S	S	.	.	H	α-helix	trans	-67	-51.3	174.6	-71.7	-21.2	0	0	0	111.3	P83 E84 L85 L89 A90 E91 K140	P83-N87 WeakPolarHBondContact O-CB 3.26Å; P83-N87 PolarHBondContact O-N 3.31Å; P83-N87 PolarHBondContact O-ND2 2.87Å; P83-N87 PolarHBondContact O-OD1 3Å; E84-N87 WeakPolarHBondContact O-CB 3.47Å; E84-N87 PolarHBondContact O-N 2.93Å; L85-N87 VanDerWaalsContact C-N 3.29Å; L85-N87 PolarHBondContact O-N 3.33Å; N87-L89 VanDerWaalsContact C-N 3.32Å; N87-L89 PolarHBondContact O-N 2.83Å; N87-A90 PolarHBondContact O-N 3.37Å; N87-E91 PolarHBondContact O-N 3.24Å; N87-K140 PolarHBondContact OD1-NZ 2.97Å
88	A	96.5	Very high	92.5	Very high	37 Å²	37	55.2 Å²	55.2	31%	0.306	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-42.2	179.6	0	0	0	0	0	111.8	E84 L85 E91 W92 W115	E84-A88 PolarHBondContact O-N 3.35Å; L85-A88 PolarHBondContact O-N 2.9Å; A88-E91 PolarHBondContact O-N 2.95Å; A88-W92 PolarHBondContact O-N 3.46Å; A88-W92 VanDerWaalsContact O-N 3.07Å; A88-W115 HydrophobicContact CB-CZ2 4.46Å
89	L	97.5	Very high	93.4	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-67.2	-42.9	177.3	-175.7	63.9	0	0	0	112.1	L85 N87 E91 W92 V93 M108 K111 A112 W132 F136	L85-L89 VanDerWaalsContact O-CB 3.31Å; L85-L89 WeakPolarHBondContact O-CB 3.32Å; L85-L89 PolarHBondContact O-N 3.27Å; N87-L89 VanDerWaalsContact C-N 3.32Å; N87-L89 PolarHBondContact O-N 2.83Å; L89-E91 VanDerWaalsContact C-N 3.27Å; L89-E91 PolarHBondContact O-N 2.98Å; L89-W92 HydrophobicContact CD1-CE3 3.83Å; L89-W92 HydrophobicContact CD1-CZ3 4.31Å; L89-W92 PolarHBondContact O-N 2.96Å; L89-V93 VanDerWaalsContact O-CG2 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.28Å; L89-V93 PolarHBondContact O-N 2.97Å; L89-M108 HydrophobicContact CD2-CB 4.41Å; L89-K111 HydrophobicContact CD1-CB 3.7Å; L89-K111 HydrophobicContact CD1-CG 3.61Å; L89-A112 HydrophobicContact CD2-CB 3.93Å; L89-W132 HydrophobicContact CD2-CH2 3.62Å; L89-W132 HydrophobicContact CD2-CZ2 4.49Å; L89-W132 HydrophobicContact CD2-CZ3 4.39Å; L89-F136 HydrophobicContact CB-CE2 4.27Å; L89-F136 HydrophobicContact CB-CZ 4.03Å; L89-F136 HydrophobicContact CD2-CD1 4.06Å; L89-F136 HydrophobicContact CD2-CE1 3.59Å; L89-F136 HydrophobicContact CD2-CE2 4.11Å; L89-F136 HydrophobicContact CD2-CZ 3.61Å; L89-F136 HydrophobicContact CG-CE1 3.99Å; L89-F136 HydrophobicContact CG-CE2 4.31Å; L89-F136 HydrophobicContact CG-CZ 3.65Å
90	A	96.6	Very high	93.7	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-38.9	177.9	0	0	0	0	0	111.8	E86 N87 V93 R94 F136 K140	E86-A90 WeakPolarHBondContact O-CB 3.47Å; E86-A90 PolarHBondContact O-N 3.13Å; N87-A90 PolarHBondContact O-N 3.37Å; A90-V93 PolarHBondContact O-N 3.48Å; A90-R94 WeakPolarHBondContact O-CG 3.21Å; A90-R94 PolarHBondContact O-N 3.09Å; A90-R94 VanDerWaalsContact O-N 3.12Å; A90-F136 HydrophobicContact CB-CE2 4.19Å; A90-F136 HydrophobicContact CB-CZ 4.27Å; A90-K140 HydrophobicContact CB-CB 4.3Å; A90-K140 HydrophobicContact CB-CD 4.02Å; A90-K140 HydrophobicContact CB-CG 3.98Å
91	E	96.6	Very high	93.6	Very high	70 Å²	70	58.9 Å²	58.9	33%	0.327	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-49.2	175.4	-169.8	61.9	-173.4	0	0	111.5	N87 A88 L89 V93 R94 E95 R171	N87-E91 PolarHBondContact O-N 3.24Å; A88-E91 PolarHBondContact O-N 2.95Å; L89-E91 VanDerWaalsContact C-N 3.27Å; L89-E91 PolarHBondContact O-N 2.98Å; E91-V93 VanDerWaalsContact C-N 3.28Å; E91-V93 PolarHBondContact O-N 2.88Å; E91-R94 WeakPolarHBondContact O-CB 3.34Å; E91-R94 PolarHBondContact O-N 2.93Å; E91-R94 IonicContact OE2-CZ 3.46Å; E91-R94 IonicContact OE2-NH1 2.73Å; E91-R94 PolarHBondContact OE2-NH1 3.38Å; E91-E95 WeakPolarHBondContact O-CG 3.47Å; E91-E95 PolarHBondContact O-N 3.38Å; E91-R171 IonicContact OE1-NH2 3.77Å
92	W	96.5	Very high	93.6	Very high	42 Å²	42	58.9 Å²	58.9	16%	0.159	29%	0.289	C	S	.	.	H	α-helix	trans	-56.4	-41.5	175.1	174.9	77	0	0	0	112.4	A88 L89 R94 E95 Q96 V103 D107 M108 K111	A88-W92 PolarHBondContact O-N 3.46Å; A88-W92 VanDerWaalsContact O-N 3.07Å; L89-W92 HydrophobicContact CD1-CE3 3.83Å; L89-W92 HydrophobicContact CD1-CZ3 4.31Å; L89-W92 PolarHBondContact O-N 2.96Å; W92-R94 VanDerWaalsContact C-N 3.31Å; W92-R94 PolarHBondContact O-N 3.18Å; W92-E95 PolarHBondContact O-N 3.2Å; W92-Q96 HydrophobicContact CD2-CG 4Å; W92-Q96 HydrophobicContact CE3-CG 4.44Å; W92-Q96 HydrophobicContact CH2-CG 4.11Å; W92-Q96 HydrophobicContact CZ2-CG 3.61Å; W92-Q96 HydrophobicContact CZ3-CG 4.5Å; W92-Q96 WeakPolarHBondContact O-CG 3.3Å; W92-Q96 PolarHBondContact O-N 3.41Å; W92-V103 HydrophobicContact CH2-CG1 4.14Å; W92-V103 HydrophobicContact CZ3-CG1 3.82Å; W92-D107 HydrophobicContact CH2-CB 4Å; W92-M108 HydrophobicContact CZ3-CG 4.34Å; W92-K111 VanDerWaalsContact CD1-CE 3.46Å; W92-K111 HydrophobicContact CD2-CB 4.31Å; W92-K111 HydrophobicContact CD2-CD 3.93Å; W92-K111 HydrophobicContact CD2-CG 3.61Å; W92-K111 HydrophobicContact CE3-CB 4.05Å; W92-K111 HydrophobicContact CE3-CG 3.74Å; W92-K111 HydrophobicContact CG-CD 4.11Å; W92-K111 HydrophobicContact CG-CG 4.02Å; W92-K111 HydrophobicContact CH2-CB 4.13Å; W92-K111 HydrophobicContact CH2-CG 4.44Å; W92-K111 HydrophobicContact CZ2-CB 4.39Å; W92-K111 HydrophobicContact CZ2-CD 4.32Å; W92-K111 HydrophobicContact CZ2-CG 4.35Å; W92-K111 HydrophobicContact CZ3-CB 3.96Å; W92-K111 HydrophobicContact CZ3-CG 4.16Å
93	V	95.6	Very high	93.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-38.2	176.4	174.6	0	0	0	0	111.7	L89 A90 E91 R97 V103 M108 L142	L89-V93 VanDerWaalsContact O-CG2 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.28Å; L89-V93 PolarHBondContact O-N 2.97Å; A90-V93 PolarHBondContact O-N 3.48Å; E91-V93 VanDerWaalsContact C-N 3.28Å; E91-V93 PolarHBondContact O-N 2.88Å; V93-R97 VanDerWaalsContact O-CG 3.3Å; V93-R97 WeakPolarHBondContact O-CG 3.47Å; V93-R97 PolarHBondContact O-N 3.12Å; V93-R97 VanDerWaalsContact O-N 3.15Å; V93-V103 HydrophobicContact CG2-CG1 4.26Å; V93-M108 HydrophobicContact CG2-CG 3.79Å; V93-M108 HydrophobicContact CG2-SD 3.81Å; V93-L142 HydrophobicContact CB-CD1 4.31Å; V93-L142 HydrophobicContact CG1-CD1 4.11Å; V93-L142 HydrophobicContact CG1-CD2 4.04Å; V93-L142 HydrophobicContact CG2-CD1 4.32Å
94	R	93.7	Very high	93.6	Very high	106 Å²	106	57.1 Å²	57.1	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-66.5	-45.1	177.1	-68.6	178.1	-159.7	111	3.1	111.3	A90 E91 W92 Q96 R97 Q98	A90-R94 WeakPolarHBondContact O-CG 3.21Å; A90-R94 PolarHBondContact O-N 3.09Å; A90-R94 VanDerWaalsContact O-N 3.12Å; E91-R94 WeakPolarHBondContact O-CB 3.34Å; E91-R94 PolarHBondContact O-N 2.93Å; E91-R94 IonicContact OE2-CZ 3.46Å; E91-R94 IonicContact OE2-NH1 2.73Å; E91-R94 PolarHBondContact OE2-NH1 3.38Å; W92-R94 VanDerWaalsContact C-N 3.31Å; W92-R94 PolarHBondContact O-N 3.18Å; R94-Q96 PolarHBondContact O-N 3.23Å; R94-R97 WeakPolarHBondContact O-CB 3.42Å; R94-R97 PolarHBondContact O-N 3.07Å; R94-R97 VanDerWaalsContact O-N 3.14Å; R94-Q98 WeakPolarHBondContact O-CG 3.5Å; R94-Q98 PolarHBondContact O-N 3.35Å
95	E	92.9	Very high	93.6	Very high	58 Å²	58	56.9 Å²	56.9	27%	0.271	28%	0.278	S	S	.	.	H	α-helix	trans	-59	-46.1	177.2	-67.8	171	171.8	0	0	111.3	E91 W92 R97 Q98 S99 R171	E91-E95 WeakPolarHBondContact O-CG 3.47Å; E91-E95 PolarHBondContact O-N 3.38Å; W92-E95 PolarHBondContact O-N 3.2Å; E95-R97 VanDerWaalsContact C-N 3.28Å; E95-R97 PolarHBondContact O-N 3.43Å; E95-Q98 PolarHBondContact O-N 2.92Å; E95-S99 PolarHBondContact O-N 2.91Å; E95-R171 IonicContact OE1-CZ 3.74Å; E95-R171 IonicContact OE1-NH1 2.73Å; E95-R171 PolarHBondContact OE1-NH1 3.21Å
96	Q	93.1	Very high	93.5	Very high	46 Å²	46	60.7 Å²	60.7	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-41.5	176.5	-67.4	-49	-70.4	0	0	111.6	W92 R94 S99 G100 R101 V103	W92-Q96 HydrophobicContact CD2-CG 4Å; W92-Q96 HydrophobicContact CE3-CG 4.44Å; W92-Q96 HydrophobicContact CH2-CG 4.11Å; W92-Q96 HydrophobicContact CZ2-CG 3.61Å; W92-Q96 HydrophobicContact CZ3-CG 4.5Å; W92-Q96 WeakPolarHBondContact O-CG 3.3Å; W92-Q96 PolarHBondContact O-N 3.41Å; R94-Q96 PolarHBondContact O-N 3.23Å; Q96-S99 PolarHBondContact O-N 3.35Å; Q96-S99 PolarHBondContact O-OG 2.6Å; Q96-G100 PolarHBondContact O-N 2.89Å; Q96-R101 HydrophobicContact CB-CB 4.43Å; Q96-R101 WeakPolarHBondContact O-CB 3.13Å; Q96-R101 PolarHBondContact O-N 3.02Å; Q96-V103 HydrophobicContact CB-CG2 3.35Å; Q96-V103 HydrophobicContact CG-CG2 3.96Å
97	R	89.9	Confident	93.5	Very high	63 Å²	63	63.6 Å²	63.6	24%	0.238	32%	0.317	C	S	.	.	H	α-helix	trans	-67.7	-38.3	178.3	-73	173	-177.5	-171	-0.4	113	V93 R94 E95 S99 G100 V143	V93-R97 VanDerWaalsContact O-CG 3.3Å; V93-R97 WeakPolarHBondContact O-CG 3.47Å; V93-R97 PolarHBondContact O-N 3.12Å; V93-R97 VanDerWaalsContact O-N 3.15Å; R94-R97 WeakPolarHBondContact O-CB 3.42Å; R94-R97 PolarHBondContact O-N 3.07Å; R94-R97 VanDerWaalsContact O-N 3.14Å; E95-R97 VanDerWaalsContact C-N 3.28Å; E95-R97 PolarHBondContact O-N 3.43Å; R97-S99 VanDerWaalsContact C-N 3.26Å; R97-S99 PolarHBondContact O-N 3.45Å; R97-G100 PolarHBondContact O-N 3.37Å; R97-V143 PolarHBondContact NH2-O 3.01Å
98	Q	88.5	Confident	93.5	Very high	164 Å²	164	59.7 Å²	59.7	77%	0.766	30%	0.296	S	S	*	.	H	α-helix	trans	-62.8	-35.7	174.2	-74	171.2	-20.7	0	0	111.3	R94 E95 G100	R94-Q98 WeakPolarHBondContact O-CG 3.5Å; R94-Q98 PolarHBondContact O-N 3.35Å; E95-Q98 PolarHBondContact O-N 2.92Å; Q98-G100 PolarHBondContact O-N 3.39Å
99	S	89.2	Confident	93.6	Very high	70 Å²	70	59.8 Å²	59.8	49%	0.49	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	6.4	172.6	74	0	0	0	0	114.8	E95 Q96 R97 R101	E95-S99 PolarHBondContact O-N 2.91Å; Q96-S99 PolarHBondContact O-N 3.35Å; Q96-S99 PolarHBondContact O-OG 2.6Å; R97-S99 VanDerWaalsContact C-N 3.26Å; R97-S99 PolarHBondContact O-N 3.45Å; S99-R101 VanDerWaalsContact C-N 3.27Å; S99-R101 PolarHBondContact O-N 3.46Å; S99-R101 WeakPolarHBondContact OG-CG 3.42Å
100	G	87	Confident	93.6	Very high	31 Å²	31	63.8 Å²	63.8	32%	0.32	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	11.2	180	0	0	0	0	0	115	Q96 R97 Q98	Q96-G100 PolarHBondContact O-N 2.89Å; R97-G100 PolarHBondContact O-N 3.37Å; Q98-G100 PolarHBondContact O-N 3.39Å
101	R	87.7	Confident	93.6	Very high	163 Å²	163	67.8 Å²	67.8	62%	0.615	33%	0.329	S	S	*	.			trans	-83.6	138.6	179.7	-66.3	176.6	-175.7	-89.4	-1.1	111.1	Q96 S99	Q96-R101 HydrophobicContact CB-CB 4.43Å; Q96-R101 WeakPolarHBondContact O-CB 3.13Å; Q96-R101 PolarHBondContact O-N 3.02Å; S99-R101 VanDerWaalsContact C-N 3.27Å; S99-R101 PolarHBondContact O-N 3.46Å; S99-R101 WeakPolarHBondContact OG-CG 3.42Å
102	I	90.1	Very high	93.7	Very high	97 Å²	97	64.4 Å²	64.4	50%	0.497	31%	0.313	S	S	.	.			trans	-75.4	131.7	169.3	-55.8	177	0	0	0	107.7	R147	I102-R147 HydrophobicContact CD1-CB 3.95Å; I102-R147 HydrophobicContact CG1-CB 4.04Å
103	V	93.5	Very high	93.7	Very high	10 Å²	10	65.4 Å²	65.4	6%	0.061	32%	0.321	C	S	.	.			trans	-111.7	117.5	174.6	-177.7	0	0	0	0	109	W92 V93 Q96 D107 M108	W92-V103 HydrophobicContact CH2-CG1 4.14Å; W92-V103 HydrophobicContact CZ3-CG1 3.82Å; V93-V103 HydrophobicContact CG2-CG1 4.26Å; Q96-V103 HydrophobicContact CB-CG2 3.35Å; Q96-V103 HydrophobicContact CG-CG2 3.96Å; V103-D107 HydrophobicContact CG1-CB 4.24Å; V103-M108 HydrophobicContact CG1-CG 3.65Å; V103-M108 HydrophobicContact CG1-SD 4.34Å
104	T	94.3	Very high	93.8	Very high	58 Å²	58	69.3 Å²	69.3	36%	0.356	34%	0.341	S	S	.	.			trans	-89.1	170.5	176.4	74.5	0	0	0	0	111.5	T106 D107 M108	T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact OG1-N 3.13Å; T104-D107 WeakPolarHBondContact CA-OD2 3.31Å; T104-D107 VanDerWaalsContact CB-OD2 3.3Å; T104-D107 WeakPolarHBondContact CB-OD2 3.46Å; T104-D107 WeakPolarHBondContact CG2-OD2 3.47Å; T104-D107 PolarHBondContact N-OD2 2.93Å; T104-D107 PolarHBondContact O-N 3Å; T104-D107 PolarHBondContact OG1-N 3.3Å; T104-D107 PolarHBondContact OG1-OD1 3.38Å; T104-D107 PolarHBondContact OG1-OD2 2.81Å; T104-M108 WeakPolarHBondContact O-CE 3.44Å; T104-M108 PolarHBondContact O-N 2.74Å
105	R	95.6	Very high	94	Very high	88 Å²	88	66.8 Å²	66.8	33%	0.332	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-38.9	174.4	-71.7	-175.3	176.4	160.1	5.8	112.1	M108 Q109 H130 M137 L144	R105-M108 HydrophobicContact CG-CE 4.15Å; R105-M108 PolarHBondContact O-N 2.83Å; R105-Q109 WeakPolarHBondContact O-CG 3.47Å; R105-Q109 PolarHBondContact O-N 3.45Å; R105-Q109 PolarHBondContact O-OE1 3.28Å; R105-H130 PolarHBondContact NH1-CE1 2.89Å; R105-H130 VanDerWaalsContact NH1-CE1 3.27Å; R105-H130 PolarHBondContact NH1-NE2 3.13Å; R105-M137 HydrophobicContact CG-SD 4.14Å; R105-L144 HydrophobicContact CG-CD2 4.31Å
106	T	95.9	Very high	94.2	Very high	81 Å²	81	64.6 Å²	64.6	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-46.4	178.1	-46.7	0	0	0	0	110.2	T104 M108 Q109 D110	T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact OG1-N 3.13Å; T106-M108 VanDerWaalsContact C-N 3.27Å; T106-M108 PolarHBondContact O-N 2.89Å; T106-Q109 WeakPolarHBondContact O-CA 3.47Å; T106-Q109 WeakPolarHBondContact O-CB 3.39Å; T106-Q109 PolarHBondContact O-N 3.1Å; T106-D110 PolarHBondContact O-N 3.02Å
107	D	95.9	Very high	94.3	Very high	63 Å²	63	71.4 Å²	71.4	34%	0.337	35%	0.347	S	S	.	.	H	α-helix	trans	-59.1	-40.7	178	-50.9	-42.2	0	0	0	111.9	W92 V103 T104 K111	W92-D107 HydrophobicContact CH2-CB 4Å; V103-D107 HydrophobicContact CG1-CB 4.24Å; T104-D107 WeakPolarHBondContact CA-OD2 3.31Å; T104-D107 VanDerWaalsContact CB-OD2 3.3Å; T104-D107 WeakPolarHBondContact CB-OD2 3.46Å; T104-D107 WeakPolarHBondContact CG2-OD2 3.47Å; T104-D107 PolarHBondContact N-OD2 2.93Å; T104-D107 PolarHBondContact O-N 3Å; T104-D107 PolarHBondContact OG1-N 3.3Å; T104-D107 PolarHBondContact OG1-OD1 3.38Å; T104-D107 PolarHBondContact OG1-OD2 2.81Å; D107-K111 VanDerWaalsContact O-CB 3.26Å; D107-K111 WeakPolarHBondContact O-CB 3.23Å; D107-K111 PolarHBondContact O-N 3.06Å
108	M	97.1	Very high	94.6	Very high	1 Å²	1	77.5 Å²	77.5	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-39.2	175.6	-70.6	-176.2	-73.1	0	0	112.3	L89 W92 V93 V103 T104 R105 T106 A112 F136 M137 L144	L89-M108 HydrophobicContact CD2-CB 4.41Å; W92-M108 HydrophobicContact CZ3-CG 4.34Å; V93-M108 HydrophobicContact CG2-CG 3.79Å; V93-M108 HydrophobicContact CG2-SD 3.81Å; V103-M108 HydrophobicContact CG1-CG 3.65Å; V103-M108 HydrophobicContact CG1-SD 4.34Å; T104-M108 WeakPolarHBondContact O-CE 3.44Å; T104-M108 PolarHBondContact O-N 2.74Å; R105-M108 HydrophobicContact CG-CE 4.15Å; R105-M108 PolarHBondContact O-N 2.83Å; T106-M108 VanDerWaalsContact C-N 3.27Å; T106-M108 PolarHBondContact O-N 2.89Å; M108-A112 VanDerWaalsContact O-CB 3.23Å; M108-A112 WeakPolarHBondContact O-CB 3.42Å; M108-A112 PolarHBondContact O-N 3.29Å; M108-F136 HydrophobicContact SD-CD1 4.45Å; M108-F136 HydrophobicContact SD-CE1 3.79Å; M108-M137 HydrophobicContact CE-CE 4.24Å; M108-M137 HydrophobicContact CE-CG 3.93Å; M108-M137 HydrophobicContact CE-SD 3.59Å; M108-M137 VanDerWaalsContact CE-SD 3.59Å; M108-M137 HydrophobicContact SD-CG 4.27Å; M108-L144 HydrophobicContact CE-CD2 4.41Å
109	Q	97.7	Very high	94.9	Very high	38 Å²	38	71.6 Å²	71.6	18%	0.178	35%	0.345	C	S	.	.	H	α-helix	trans	-66.1	-46.3	177.4	-70.7	170.1	-79.9	0	0	110.9	R105 T106 A112 M113 A128 C133	R105-Q109 WeakPolarHBondContact O-CG 3.47Å; R105-Q109 PolarHBondContact O-N 3.45Å; R105-Q109 PolarHBondContact O-OE1 3.28Å; T106-Q109 WeakPolarHBondContact O-CA 3.47Å; T106-Q109 WeakPolarHBondContact O-CB 3.39Å; T106-Q109 PolarHBondContact O-N 3.1Å; Q109-A112 WeakPolarHBondContact O-CB 3.5Å; Q109-A112 PolarHBondContact O-N 3.39Å; Q109-M113 WeakPolarHBondContact O-CG 3.31Å; Q109-M113 PolarHBondContact O-N 3.21Å; Q109-A128 HydrophobicContact CB-CB 3.9Å; Q109-A128 HydrophobicContact CG-CB 4.12Å; Q109-A128 PolarHBondContact NE2-O 3.41Å; Q109-C133 HydrophobicContact CG-CB 4.07Å
110	D	97.6	Very high	95.1	Very high	90 Å²	90	72.3 Å²	72.3	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-64.7	-43.8	179.6	-67.5	-20.8	0	0	0	111.2	T106 A112 M113 N114	T106-D110 PolarHBondContact O-N 3.02Å; D110-A112 VanDerWaalsContact C-N 3.33Å; D110-A112 PolarHBondContact O-N 3.4Å; D110-M113 PolarHBondContact O-N 3.01Å; D110-N114 WeakPolarHBondContact O-CB 3.33Å; D110-N114 PolarHBondContact O-N 3.41Å; D110-N114 PolarHBondContact O-ND2 3.28Å
111	K	97.7	Very high	95.4	Very high	84 Å²	84	77.8 Å²	77.8	37%	0.365	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-41.2	174.9	-173.9	70	176.9	-174.3	0	111.9	L89 W92 D107 N114 W115	L89-K111 HydrophobicContact CD1-CB 3.7Å; L89-K111 HydrophobicContact CD1-CG 3.61Å; W92-K111 VanDerWaalsContact CD1-CE 3.46Å; W92-K111 HydrophobicContact CD2-CB 4.31Å; W92-K111 HydrophobicContact CD2-CD 3.93Å; W92-K111 HydrophobicContact CD2-CG 3.61Å; W92-K111 HydrophobicContact CE3-CB 4.05Å; W92-K111 HydrophobicContact CE3-CG 3.74Å; W92-K111 HydrophobicContact CG-CD 4.11Å; W92-K111 HydrophobicContact CG-CG 4.02Å; W92-K111 HydrophobicContact CH2-CB 4.13Å; W92-K111 HydrophobicContact CH2-CG 4.44Å; W92-K111 HydrophobicContact CZ2-CB 4.39Å; W92-K111 HydrophobicContact CZ2-CD 4.32Å; W92-K111 HydrophobicContact CZ2-CG 4.35Å; W92-K111 HydrophobicContact CZ3-CB 3.96Å; W92-K111 HydrophobicContact CZ3-CG 4.16Å; D107-K111 VanDerWaalsContact O-CB 3.26Å; D107-K111 WeakPolarHBondContact O-CB 3.23Å; D107-K111 PolarHBondContact O-N 3.06Å; K111-N114 PolarHBondContact O-N 3.26Å; K111-W115 WeakPolarHBondContact O-CB 3.5Å; K111-W115 PolarHBondContact O-N 3.35Å
112	A	97.9	Very high	95.8	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.1	-43.8	177	0	0	0	0	0	112.1	L85 L89 M108 Q109 D110 W115 A116 F126 A128 W132	L85-A112 HydrophobicContact CD2-CB 4.14Å; L89-A112 HydrophobicContact CD2-CB 3.93Å; M108-A112 VanDerWaalsContact O-CB 3.23Å; M108-A112 WeakPolarHBondContact O-CB 3.42Å; M108-A112 PolarHBondContact O-N 3.29Å; Q109-A112 WeakPolarHBondContact O-CB 3.5Å; Q109-A112 PolarHBondContact O-N 3.39Å; D110-A112 VanDerWaalsContact C-N 3.33Å; D110-A112 PolarHBondContact O-N 3.4Å; A112-W115 PolarHBondContact O-N 2.74Å; A112-A116 WeakPolarHBondContact O-CB 3.28Å; A112-A116 PolarHBondContact O-N 2.89Å; A112-F126 HydrophobicContact CB-CE1 3.84Å; A112-F126 HydrophobicContact CB-CZ 3.82Å; A112-A128 HydrophobicContact CB-CB 4.46Å; A112-W132 HydrophobicContact CB-CH2 3.56Å; A112-W132 HydrophobicContact CB-CZ3 3.85Å
113	M	97.9	Very high	95.9	Very high	63 Å²	63	68.6 Å²	68.6	31%	0.31	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-41.4	177.1	-72.1	-55.9	-60.2	0	0	111.5	Q109 D110 A116 R117 F126 A128	Q109-M113 WeakPolarHBondContact O-CG 3.31Å; Q109-M113 PolarHBondContact O-N 3.21Å; D110-M113 PolarHBondContact O-N 3.01Å; M113-A116 PolarHBondContact O-N 2.62Å; M113-R117 WeakPolarHBondContact O-CG 3.29Å; M113-R117 PolarHBondContact O-N 3.31Å; M113-F126 HydrophobicContact SD-CD1 4Å; M113-F126 HydrophobicContact SD-CE1 3.84Å; M113-A128 HydrophobicContact CG-CB 3.62Å; M113-A128 HydrophobicContact SD-CB 3.67Å
114	N	97.3	Very high	96	Very high	81 Å²	81	77.9 Å²	77.9	43%	0.433	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-45.7	173.9	-79.3	-25.7	0	0	0	111.5	D110 K111 A116 R117 Y118	D110-N114 WeakPolarHBondContact O-CB 3.33Å; D110-N114 PolarHBondContact O-N 3.41Å; D110-N114 PolarHBondContact O-ND2 3.28Å; K111-N114 PolarHBondContact O-N 3.26Å; N114-A116 VanDerWaalsContact C-N 3.32Å; N114-A116 PolarHBondContact O-N 3.47Å; N114-R117 WeakPolarHBondContact O-CB 3.46Å; N114-R117 PolarHBondContact O-N 3.39Å; N114-Y118 WeakPolarHBondContact O-CD2 3.27Å; N114-Y118 PolarHBondContact O-N 3Å
115	W	97.4	Very high	96	Very high	54 Å²	54	77.9 Å²	77.9	21%	0.205	38%	0.377	C	S	.	.	H	α-helix	trans	-59.3	-44.2	176.2	-170.3	95.5	0	0	0	111.9	E84 L85 A88 K111 A112 R117 Y118 N119 L122	E84-W115 HydrophobicContact CB-CH2 4.14Å; E84-W115 HydrophobicContact CB-CZ2 4.46Å; L85-W115 HydrophobicContact CB-CD2 4.39Å; L85-W115 HydrophobicContact CB-CE3 3.68Å; L85-W115 HydrophobicContact CB-CH2 4.1Å; L85-W115 HydrophobicContact CB-CZ3 3.52Å; L85-W115 HydrophobicContact CD1-CE3 3.79Å; L85-W115 HydrophobicContact CD1-CZ3 4.12Å; L85-W115 HydrophobicContact CG-CD2 4.24Å; L85-W115 HydrophobicContact CG-CE3 3.59Å; L85-W115 HydrophobicContact CG-CZ3 3.96Å; A88-W115 HydrophobicContact CB-CZ2 4.46Å; K111-W115 WeakPolarHBondContact O-CB 3.5Å; K111-W115 PolarHBondContact O-N 3.35Å; A112-W115 PolarHBondContact O-N 2.74Å; W115-R117 VanDerWaalsContact C-N 3.32Å; W115-R117 PolarHBondContact O-N 3.27Å; W115-Y118 PolarHBondContact O-N 3.24Å; W115-N119 HydrophobicContact CD2-CB 4.24Å; W115-N119 HydrophobicContact CE3-CB 3.87Å; W115-N119 HydrophobicContact CH2-CB 3.64Å; W115-N119 HydrophobicContact CZ2-CB 4Å; W115-N119 HydrophobicContact CZ3-CB 3.55Å; W115-N119 PolarHBondContact O-N 3.27Å; W115-N119 VanDerWaalsContact O-N 3.07Å; W115-N119 PolarHBondContact O-ND2 2.92Å; W115-L122 HydrophobicContact CH2-CB 3.65Å; W115-L122 HydrophobicContact CH2-CD1 3.66Å; W115-L122 HydrophobicContact CH2-CG 4.29Å; W115-L122 HydrophobicContact CZ2-CD1 4.18Å; W115-L122 HydrophobicContact CZ3-CB 3.97Å
116	A	96.6	Very high	96	Very high	11 Å²	11	74.6 Å²	74.6	9%	0.091	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-37.1	178.4	0	0	0	0	0	112.8	L85 A112 M113 N114 Y118 N119 S123 F126	L85-A116 HydrophobicContact CD1-CB 4.28Å; A112-A116 WeakPolarHBondContact O-CB 3.28Å; A112-A116 PolarHBondContact O-N 2.89Å; M113-A116 PolarHBondContact O-N 2.62Å; N114-A116 VanDerWaalsContact C-N 3.32Å; N114-A116 PolarHBondContact O-N 3.47Å; A116-Y118 VanDerWaalsContact C-N 3.3Å; A116-Y118 PolarHBondContact O-N 2.97Å; A116-N119 CarbonylContact O-C 3.42Å; A116-N119 PolarHBondContact O-N 2.94Å; A116-S123 VanDerWaalsContact CA-OG 3.23Å; A116-S123 WeakPolarHBondContact CA-OG 3.49Å; A116-S123 VanDerWaalsContact CB-OG 3.3Å; A116-S123 WeakPolarHBondContact CB-OG 3.42Å; A116-S123 PolarHBondContact O-OG 2.78Å; A116-F126 HydrophobicContact CB-CD1 3.62Å; A116-F126 HydrophobicContact CB-CE1 4.31Å; A116-F126 HydrophobicContact CB-CG 4.44Å
117	R	95.8	Very high	96	Very high	189 Å²	189	74.9 Å²	74.9	71%	0.713	37%	0.367	S	S	*	.	H	α-helix	trans	-60	-38.8	175.5	-73.8	171.5	179	-146	0.6	112.6	M113 N114 W115	M113-R117 WeakPolarHBondContact O-CG 3.29Å; M113-R117 PolarHBondContact O-N 3.31Å; N114-R117 WeakPolarHBondContact O-CB 3.46Å; N114-R117 PolarHBondContact O-N 3.39Å; W115-R117 VanDerWaalsContact C-N 3.32Å; W115-R117 PolarHBondContact O-N 3.27Å
118	Y	95	Very high	96	Very high	191 Å²	191	72.5 Å²	72.5	75%	0.749	36%	0.356	S	S	*	.	H	α-helix	trans	-85.4	-13	179	-66	-70.3	0	0	0	113.8	N114 W115 A116 P120	N114-Y118 WeakPolarHBondContact O-CD2 3.27Å; N114-Y118 PolarHBondContact O-N 3Å; W115-Y118 PolarHBondContact O-N 3.24Å; A116-Y118 VanDerWaalsContact C-N 3.3Å; A116-Y118 PolarHBondContact O-N 2.97Å; Y118-P120 VanDerWaalsContact C-CD 3.41Å
119	N	95.7	Very high	95.9	Very high	40 Å²	40	76 Å²	76	21%	0.214	38%	0.377	C	S	.	.			trans	-129.4	54.3	-176.3	-60.2	-88	0	0	0	112.1	W115 A116 H121 L122 S123	W115-N119 HydrophobicContact CD2-CB 4.24Å; W115-N119 HydrophobicContact CE3-CB 3.87Å; W115-N119 HydrophobicContact CH2-CB 3.64Å; W115-N119 HydrophobicContact CZ2-CB 4Å; W115-N119 HydrophobicContact CZ3-CB 3.55Å; W115-N119 PolarHBondContact O-N 3.27Å; W115-N119 VanDerWaalsContact O-N 3.07Å; W115-N119 PolarHBondContact O-ND2 2.92Å; A116-N119 CarbonylContact O-C 3.42Å; A116-N119 PolarHBondContact O-N 2.94Å; N119-H121 PolarHBondContact O-N 3.03Å; N119-H121 VanDerWaalsContact O-N 3.12Å; N119-L122 HydrophobicContact CB-CB 4.38Å; N119-L122 HydrophobicContact CB-CD1 4.47Å; N119-L122 PolarHBondContact O-N 3.2Å; N119-S123 PolarHBondContact O-N 3.38Å; N119-S123 PolarHBondContact O-OG 2.97Å; N119-S123 VanDerWaalsContact O-OG 3.09Å
120	P	93.6	Very high	95.8	Very high	85 Å²	85	79.1 Å²	79.1	55%	0.552	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-60.4	-31.1	-170.8	23.9	-34.6	0	0	0	113.5	Y118 L122 S123 Y124	Y118-P120 VanDerWaalsContact C-CD 3.41Å; P120-L122 VanDerWaalsContact C-N 3.27Å; P120-L122 PolarHBondContact O-N 3.11Å; P120-S123 PolarHBondContact O-N 3.14Å; P120-Y124 PolarHBondContact O-N 3.45Å
121	H	93.9	Very high	95.6	Very high	147 Å²	147	76.3 Å²	76.3	68%	0.681	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-67	-25	176.8	67	-78.1	0	0	0	113.3	N119	N119-H121 PolarHBondContact O-N 3.03Å; N119-H121 VanDerWaalsContact O-N 3.12Å
122	L	94.5	Very high	95.5	Very high	58 Å²	58	73 Å²	73	30%	0.304	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-100.6	-7.2	178	-60	174.7	0	0	0	113.1	W82 E84 W115 N119 P120	W82-L122 VanDerWaalsContact CD1-O 3.25Å; E84-L122 HydrophobicContact CB-CD1 4.25Å; E84-L122 HydrophobicContact CG-CD1 4.43Å; W115-L122 HydrophobicContact CH2-CB 3.65Å; W115-L122 HydrophobicContact CH2-CD1 3.66Å; W115-L122 HydrophobicContact CH2-CG 4.29Å; W115-L122 HydrophobicContact CZ2-CD1 4.18Å; W115-L122 HydrophobicContact CZ3-CB 3.97Å; N119-L122 HydrophobicContact CB-CB 4.38Å; N119-L122 HydrophobicContact CB-CD1 4.47Å; N119-L122 PolarHBondContact O-N 3.2Å; P120-L122 VanDerWaalsContact C-N 3.27Å; P120-L122 PolarHBondContact O-N 3.11Å
123	S	94.2	Very high	95.4	Very high	9 Å²	9	73 Å²	73	6%	0.063	37%	0.37	C	S	.	.	S	Bend	trans	-131.1	30	-173.8	68.3	0	0	0	0	112.9	A116 N119 P120 G125 F126	A116-S123 VanDerWaalsContact CA-OG 3.23Å; A116-S123 WeakPolarHBondContact CA-OG 3.49Å; A116-S123 VanDerWaalsContact CB-OG 3.3Å; A116-S123 WeakPolarHBondContact CB-OG 3.42Å; A116-S123 PolarHBondContact O-OG 2.78Å; N119-S123 PolarHBondContact O-N 3.38Å; N119-S123 PolarHBondContact O-OG 2.97Å; N119-S123 VanDerWaalsContact O-OG 3.09Å; P120-S123 PolarHBondContact O-N 3.14Å; S123-G125 PolarHBondContact O-N 3.4Å; S123-F126 WeakPolarHBondContact O-CB 3.4Å; S123-F126 PolarHBondContact O-N 3.12Å
124	Y	93.7	Very high	95.2	Very high	205 Å²	205	72.1 Å²	72.1	80%	0.804	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	129.1	179.1	-174.7	-95.9	0	0	0	111.1	W82 P120 F126	W82-Y124 PolarHBondContact NE1-O 2.92Å; P120-Y124 PolarHBondContact O-N 3.45Å; Y124-F126 PolarHBondContact O-N 3.33Å
125	G	94.6	Very high	95	Very high	58 Å²	58	75.2 Å²	75.2	60%	0.598	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	11.9	-177.9	0	0	0	0	0	114.9	S123	S123-G125 PolarHBondContact O-N 3.4Å
126	F	96.2	Very high	94.9	Very high	18 Å²	18	72.7 Å²	72.7	8%	0.079	37%	0.365	C	S	.	.			trans	-66.9	136.4	-178.8	177.7	-109.7	0	0	0	111.8	W82 L85 A112 M113 A116 S123 Y124 A128 W132	W82-F126 HydrophobicContact CD2-CB 4.42Å; W82-F126 AromaticContact CD2-CD2 3.7Å; W82-F126 HydrophobicContact CD2-CD2 3.7Å; W82-F126 HydrophobicContact CD2-CG 4.49Å; W82-F126 AromaticContact CE3-CD2 3.58Å; W82-F126 HydrophobicContact CE3-CD2 3.58Å; W82-F126 HydrophobicContact CE3-CE2 4.07Å; W82-F126 HydrophobicContact CG-CD2 4.33Å; W82-F126 HydrophobicContact CH2-CD2 4.13Å; W82-F126 HydrophobicContact CZ2-CB 4.17Å; W82-F126 HydrophobicContact CZ2-CD2 4.23Å; W82-F126 AromaticContact CZ3-CD2 3.81Å; W82-F126 HydrophobicContact CZ3-CD2 3.81Å; W82-F126 HydrophobicContact CZ3-CE2 4.32Å; L85-F126 HydrophobicContact CD1-CD1 3.74Å; L85-F126 HydrophobicContact CD1-CD2 3.98Å; L85-F126 HydrophobicContact CD1-CE1 3.74Å; L85-F126 HydrophobicContact CD1-CE2 4Å; L85-F126 HydrophobicContact CD1-CG 3.85Å; L85-F126 HydrophobicContact CD1-CZ 3.88Å; L85-F126 HydrophobicContact CD2-CE2 4.45Å; L85-F126 HydrophobicContact CD2-CZ 4.21Å; A112-F126 HydrophobicContact CB-CE1 3.84Å; A112-F126 HydrophobicContact CB-CZ 3.82Å; M113-F126 HydrophobicContact SD-CD1 4Å; M113-F126 HydrophobicContact SD-CE1 3.84Å; A116-F126 HydrophobicContact CB-CD1 3.62Å; A116-F126 HydrophobicContact CB-CE1 4.31Å; A116-F126 HydrophobicContact CB-CG 4.44Å; S123-F126 WeakPolarHBondContact O-CB 3.4Å; S123-F126 PolarHBondContact O-N 3.12Å; Y124-F126 PolarHBondContact O-N 3.33Å; F126-A128 HydrophobicContact CE1-CB 3.95Å; F126-A128 HydrophobicContact CZ-CB 3.9Å; F126-W132 AromaticContact CE2-CD2 3.75Å; F126-W132 HydrophobicContact CE2-CD2 3.75Å; F126-W132 AromaticContact CE2-CE2 3.46Å; F126-W132 VanDerWaalsContact CE2-CE2 3.46Å; F126-W132 HydrophobicContact CE2-CE3 4.21Å; F126-W132 HydrophobicContact CE2-CG 4.23Å; F126-W132 HydrophobicContact CE2-CH2 4.14Å; F126-W132 AromaticContact CE2-CZ2 3.69Å; F126-W132 HydrophobicContact CE2-CZ2 3.69Å; F126-W132 HydrophobicContact CE2-CZ3 4.39Å; F126-W132 AromaticContact CE2-NE1 3.74Å; F126-W132 AromaticContact CZ-CD2 3.99Å; F126-W132 HydrophobicContact CZ-CD2 3.99Å; F126-W132 AromaticContact CZ-CE2 3.85Å; F126-W132 AromaticContact CZ-CE3 3.96Å; F126-W132 HydrophobicContact CZ-CE3 3.96Å; F126-W132 AromaticContact CZ-CH2 3.67Å; F126-W132 HydrophobicContact CZ-CH2 3.67Å; F126-W132 AromaticContact CZ-CZ2 3.7Å; F126-W132 HydrophobicContact CZ-CZ2 3.7Å; F126-W132 AromaticContact CZ-CZ3 3.81Å; F126-W132 HydrophobicContact CZ-CZ3 3.81Å
127	T	95.6	Very high	94.7	Very high	88 Å²	88	72.7 Å²	72.7	54%	0.54	36%	0.364	S	S	.	.			trans	-138.4	126.7	169.5	0.9	0	0	0	0	108.8	T129	T127-T129 PolarHBondContact O-N 3.16Å
128	A	95.8	Very high	94.6	Very high	13 Å²	13	71 Å²	71	11%	0.107	36%	0.362	C	S	.	.			trans	-77	59	179.9	0	0	0	0	0	111.8	Q109 A112 M113 F126 W132	Q109-A128 HydrophobicContact CB-CB 3.9Å; Q109-A128 HydrophobicContact CG-CB 4.12Å; Q109-A128 PolarHBondContact NE2-O 3.41Å; A112-A128 HydrophobicContact CB-CB 4.46Å; M113-A128 HydrophobicContact CG-CB 3.62Å; M113-A128 HydrophobicContact SD-CB 3.67Å; F126-A128 HydrophobicContact CE1-CB 3.95Å; F126-A128 HydrophobicContact CZ-CB 3.9Å; A128-W132 HydrophobicContact CB-CE3 4.27Å; A128-W132 HydrophobicContact CB-CZ3 4.23Å
129	T	96.3	Very high	94.4	Very high	75 Å²	75	64.8 Å²	64.8	46%	0.46	34%	0.337	S	S	.	.			trans	-65.9	154.8	177.7	63.7	0	0	0	0	111.5	T127 G131 W132 C133	T127-T129 PolarHBondContact O-N 3.16Å; T129-G131 PolarHBondContact O-N 3.37Å; T129-W132 WeakPolarHBondContact O-CB 3.44Å; T129-W132 PolarHBondContact O-N 3.33Å; T129-W132 WeakPolarHBondContact OG1-CB 3.3Å; T129-W132 PolarHBondContact OG1-N 2.87Å; T129-W132 VanDerWaalsContact OG1-N 3.12Å; T129-C133 PolarHBondContact O-N 3.13Å
130	H	95	Very high	94.3	Very high	102 Å²	102	65.5 Å²	65.5	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-58.4	-36.8	175.8	-176	-96.2	0	0	0	112.5	R105 C133 S134	R105-H130 PolarHBondContact NH1-CE1 2.89Å; R105-H130 VanDerWaalsContact NH1-CE1 3.27Å; R105-H130 PolarHBondContact NH1-NE2 3.13Å; H130-C133 PolarHBondContact O-N 2.98Å; H130-S134 PolarHBondContact O-N 3.19Å; H130-S134 PolarHBondContact O-OG 3.13Å
131	G	93.9	Very high	94.2	Very high	32 Å²	32	68.3 Å²	68.3	33%	0.33	35%	0.348	S	S	.	.	H	α-helix	trans	-66.7	-37	175.3	0	0	0	0	0	113.1	T129 R135	T129-G131 PolarHBondContact O-N 3.37Å; G131-R135 VanDerWaalsContact O-CG 3.3Å; G131-R135 WeakPolarHBondContact O-CG 3.23Å; G131-R135 PolarHBondContact O-N 3.35Å
132	W	94.7	Very high	94.1	Very high	15 Å²	15	62 Å²	62	6%	0.057	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-48.7	170.8	169.8	84.8	0	0	0	111.2	L85 E86 L89 A112 F126 A128 T129 S134 R135 F136	L85-W132 HydrophobicContact CD2-CH2 3.88Å; L85-W132 HydrophobicContact CD2-CZ2 3.57Å; E86-W132 HydrophobicContact CG-CZ2 4.14Å; L89-W132 HydrophobicContact CD2-CH2 3.62Å; L89-W132 HydrophobicContact CD2-CZ2 4.49Å; L89-W132 HydrophobicContact CD2-CZ3 4.39Å; A112-W132 HydrophobicContact CB-CH2 3.56Å; A112-W132 HydrophobicContact CB-CZ3 3.85Å; F126-W132 AromaticContact CE2-CD2 3.75Å; F126-W132 HydrophobicContact CE2-CD2 3.75Å; F126-W132 AromaticContact CE2-CE2 3.46Å; F126-W132 VanDerWaalsContact CE2-CE2 3.46Å; F126-W132 HydrophobicContact CE2-CE3 4.21Å; F126-W132 HydrophobicContact CE2-CG 4.23Å; F126-W132 HydrophobicContact CE2-CH2 4.14Å; F126-W132 AromaticContact CE2-CZ2 3.69Å; F126-W132 HydrophobicContact CE2-CZ2 3.69Å; F126-W132 HydrophobicContact CE2-CZ3 4.39Å; F126-W132 AromaticContact CE2-NE1 3.74Å; F126-W132 AromaticContact CZ-CD2 3.99Å; F126-W132 HydrophobicContact CZ-CD2 3.99Å; F126-W132 AromaticContact CZ-CE2 3.85Å; F126-W132 AromaticContact CZ-CE3 3.96Å; F126-W132 HydrophobicContact CZ-CE3 3.96Å; F126-W132 AromaticContact CZ-CH2 3.67Å; F126-W132 HydrophobicContact CZ-CH2 3.67Å; F126-W132 AromaticContact CZ-CZ2 3.7Å; F126-W132 HydrophobicContact CZ-CZ2 3.7Å; F126-W132 AromaticContact CZ-CZ3 3.81Å; F126-W132 HydrophobicContact CZ-CZ3 3.81Å; A128-W132 HydrophobicContact CB-CE3 4.27Å; A128-W132 HydrophobicContact CB-CZ3 4.23Å; T129-W132 WeakPolarHBondContact O-CB 3.44Å; T129-W132 PolarHBondContact O-N 3.33Å; T129-W132 WeakPolarHBondContact OG1-CB 3.3Å; T129-W132 PolarHBondContact OG1-N 2.87Å; T129-W132 VanDerWaalsContact OG1-N 3.12Å; W132-S134 VanDerWaalsContact C-N 3.3Å; W132-S134 PolarHBondContact O-N 3.02Å; W132-R135 PolarHBondContact O-N 3.03Å; W132-F136 HydrophobicContact CH2-CB 4.46Å; W132-F136 HydrophobicContact CH2-CG 4.41Å; W132-F136 HydrophobicContact CZ2-CB 4.13Å; W132-F136 HydrophobicContact CZ2-CG 4.33Å; W132-F136 PolarHBondContact O-N 3.04Å
133	C	95.5	Very high	93.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-57.4	-43.7	-179	-175.6	0	0	0	0	111.4	Q109 T129 H130 R135 F136 M137	Q109-C133 HydrophobicContact CG-CB 4.07Å; T129-C133 PolarHBondContact O-N 3.13Å; H130-C133 PolarHBondContact O-N 2.98Å; C133-R135 VanDerWaalsContact C-N 3.34Å; C133-R135 PolarHBondContact O-N 3.35Å; C133-F136 WeakPolarHBondContact O-CB 3.32Å; C133-F136 PolarHBondContact O-N 3.07Å; C133-M137 VanDerWaalsContact O-CG 3.31Å; C133-M137 WeakPolarHBondContact O-CG 3.39Å; C133-M137 PolarHBondContact O-N 3.28Å
134	S	93.7	Very high	93.5	Very high	43 Å²	43	67.2 Å²	67.2	30%	0.301	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-38.6	175.5	-60.6	0	0	0	0	113.2	H130 W132 K138	H130-S134 PolarHBondContact O-N 3.19Å; H130-S134 PolarHBondContact O-OG 3.13Å; W132-S134 VanDerWaalsContact C-N 3.3Å; W132-S134 PolarHBondContact O-N 3.02Å; S134-K138 PolarHBondContact O-N 3.01Å; S134-K138 VanDerWaalsContact O-N 3.16Å
135	R	93.4	Very high	92.9	Very high	147 Å²	147	65.1 Å²	65.1	56%	0.555	34%	0.34	S	S	*	.	H	α-helix	trans	-73.8	-40.5	177.6	-68.9	172.2	-166.9	150.4	4.5	112	G131 W132 C133 K138 R139	G131-R135 VanDerWaalsContact O-CG 3.3Å; G131-R135 WeakPolarHBondContact O-CG 3.23Å; G131-R135 PolarHBondContact O-N 3.35Å; W132-R135 PolarHBondContact O-N 3.03Å; C133-R135 VanDerWaalsContact C-N 3.34Å; C133-R135 PolarHBondContact O-N 3.35Å; R135-K138 PolarHBondContact O-N 3.22Å; R135-R139 WeakPolarHBondContact O-CG 3.29Å; R135-R139 PolarHBondContact O-N 3.18Å
136	F	94.6	Very high	91.7	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-55.2	-52.9	172.4	157.1	-107.5	0	0	0	110.5	E86 L89 A90 M108 W132 C133 K138 R139 K140 L142	E86-F136 HydrophobicContact CB-CD2 3.85Å; E86-F136 HydrophobicContact CB-CE2 4.08Å; E86-F136 HydrophobicContact CG-CD2 3.66Å; E86-F136 HydrophobicContact CG-CE2 4.34Å; E86-F136 WeakPolarHBondContact O-CE2 3.41Å; L89-F136 HydrophobicContact CB-CE2 4.27Å; L89-F136 HydrophobicContact CB-CZ 4.03Å; L89-F136 HydrophobicContact CD2-CD1 4.06Å; L89-F136 HydrophobicContact CD2-CE1 3.59Å; L89-F136 HydrophobicContact CD2-CE2 4.11Å; L89-F136 HydrophobicContact CD2-CZ 3.61Å; L89-F136 HydrophobicContact CG-CE1 3.99Å; L89-F136 HydrophobicContact CG-CE2 4.31Å; L89-F136 HydrophobicContact CG-CZ 3.65Å; A90-F136 HydrophobicContact CB-CE2 4.19Å; A90-F136 HydrophobicContact CB-CZ 4.27Å; M108-F136 HydrophobicContact SD-CD1 4.45Å; M108-F136 HydrophobicContact SD-CE1 3.79Å; W132-F136 HydrophobicContact CH2-CB 4.46Å; W132-F136 HydrophobicContact CH2-CG 4.41Å; W132-F136 HydrophobicContact CZ2-CB 4.13Å; W132-F136 HydrophobicContact CZ2-CG 4.33Å; W132-F136 PolarHBondContact O-N 3.04Å; C133-F136 WeakPolarHBondContact O-CB 3.32Å; C133-F136 PolarHBondContact O-N 3.07Å; F136-K138 VanDerWaalsContact C-N 3.3Å; F136-K138 PolarHBondContact O-N 3.44Å; F136-R139 PolarHBondContact O-N 2.97Å; F136-K140 HydrophobicContact CD2-CG 3.87Å; F136-K140 HydrophobicContact CE2-CB 4.32Å; F136-K140 HydrophobicContact CE2-CG 3.6Å; F136-K140 HydrophobicContact CZ-CG 4.41Å; F136-K140 PolarHBondContact O-N 2.91Å; F136-L142 HydrophobicContact CE1-CD1 3.67Å; F136-L142 HydrophobicContact CE2-CD1 4.47Å; F136-L142 HydrophobicContact CZ-CD1 3.59Å
137	M	94.2	Very high	90.1	Very high	12 Å²	12	78.9 Å²	78.9	6%	0.059	38%	0.381	C	S	.	.	H	α-helix	trans	-55.7	-45.8	177.7	-72.6	-178.7	70.4	0	0	112	R105 M108 C133 R139 K140 D141 L142 L144	R105-M137 HydrophobicContact CG-SD 4.14Å; M108-M137 HydrophobicContact CE-CE 4.24Å; M108-M137 HydrophobicContact CE-CG 3.93Å; M108-M137 HydrophobicContact CE-SD 3.59Å; M108-M137 VanDerWaalsContact CE-SD 3.59Å; M108-M137 HydrophobicContact SD-CG 4.27Å; C133-M137 VanDerWaalsContact O-CG 3.31Å; C133-M137 WeakPolarHBondContact O-CG 3.39Å; C133-M137 PolarHBondContact O-N 3.28Å; M137-R139 VanDerWaalsContact C-N 3.34Å; M137-R139 PolarHBondContact O-N 3.3Å; M137-K140 PolarHBondContact O-N 2.83Å; M137-D141 PolarHBondContact O-N 3.33Å; M137-D141 VanDerWaalsContact O-N 3.08Å; M137-L142 HydrophobicContact CB-CB 4.27Å; M137-L142 VanDerWaalsContact CE-O 3.28Å; M137-L142 WeakPolarHBondContact CE-O 3.38Å; M137-L142 HydrophobicContact CG-CB 4.34Å; M137-L142 PolarHBondContact O-N 3.45Å; M137-L144 HydrophobicContact CE-CD2 3.99Å; M137-L144 HydrophobicContact CE-CG 3.98Å
138	K	92	Very high	88.2	Confident	154 Å²	154	80 Å²	80	67%	0.67	39%	0.388	S	S	*	.	H	α-helix	trans	-63.7	-35.7	177.7	-175.7	171.9	-178.1	170.9	0	113.2	S134 R135 F136	S134-K138 PolarHBondContact O-N 3.01Å; S134-K138 VanDerWaalsContact O-N 3.16Å; R135-K138 PolarHBondContact O-N 3.22Å; F136-K138 VanDerWaalsContact C-N 3.3Å; F136-K138 PolarHBondContact O-N 3.44Å
139	R	91.8	Very high	86.2	Confident	60 Å²	60	88.5 Å²	88.5	23%	0.226	42%	0.422	C	S	.	.	H	α-helix	trans	-74.6	-27.4	178.5	-77.8	-172.6	-64.6	-98.9	-11.5	113.3	E86 R135 F136 M137	E86-R139 IonicContact OE1-CZ 2.89Å; E86-R139 VanDerWaalsContact OE1-CZ 3.22Å; E86-R139 IonicContact OE1-NE 3.88Å; E86-R139 PolarHBondContact OE1-NE 2.96Å; E86-R139 IonicContact OE1-NH2 2.74Å; E86-R139 PolarHBondContact OE1-NH2 3.07Å; E86-R139 IonicContact OE2-CZ 2.83Å; E86-R139 VanDerWaalsContact OE2-CZ 3.32Å; E86-R139 IonicContact OE2-NE 3.22Å; E86-R139 PolarHBondContact OE2-NE 3.32Å; E86-R139 IonicContact OE2-NH2 2.6Å; E86-R139 PolarHBondContact OE2-NH2 3.16Å; E86-R139 VanDerWaalsContact OE2-NH2 3.13Å; R135-R139 WeakPolarHBondContact O-CG 3.29Å; R135-R139 PolarHBondContact O-N 3.18Å; F136-R139 PolarHBondContact O-N 2.97Å; M137-R139 VanDerWaalsContact C-N 3.34Å; M137-R139 PolarHBondContact O-N 3.3Å
140	K	92.6	Very high	83.9	Confident	54 Å²	54	88.8 Å²	88.8	24%	0.235	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	10.6	-177.4	-63.2	-61.9	-168.7	-176.2	0	113.2	E86 N87 A90 F136 M137 L142	E86-K140 WeakPolarHBondContact O-CE 3.36Å; N87-K140 PolarHBondContact OD1-NZ 2.97Å; A90-K140 HydrophobicContact CB-CB 4.3Å; A90-K140 HydrophobicContact CB-CD 4.02Å; A90-K140 HydrophobicContact CB-CG 3.98Å; F136-K140 HydrophobicContact CD2-CG 3.87Å; F136-K140 HydrophobicContact CE2-CB 4.32Å; F136-K140 HydrophobicContact CE2-CG 3.6Å; F136-K140 HydrophobicContact CZ-CG 4.41Å; F136-K140 PolarHBondContact O-N 2.91Å; M137-K140 PolarHBondContact O-N 2.83Å; K140-L142 HydrophobicContact CB-CD1 4Å; K140-L142 HydrophobicContact CB-CG 3.9Å; K140-L142 PolarHBondContact O-N 3.5Å
141	D	91.5	Very high	81.7	Confident	145 Å²	145	91.5 Å²	91.5	78%	0.775	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.7	-177.9	-58.7	-57.5	0	0	0	113.3	M137	M137-D141 PolarHBondContact O-N 3.33Å; M137-D141 VanDerWaalsContact O-N 3.08Å
142	L	92.3	Very high	79.2	Confident	14 Å²	14	97.3 Å²	97.3	7%	0.073	47%	0.465	C	S	.	.			trans	-92.5	126.1	177.6	-59.6	174.4	0	0	0	109.9	V93 F136 M137 K140	V93-L142 HydrophobicContact CB-CD1 4.31Å; V93-L142 HydrophobicContact CG1-CD1 4.11Å; V93-L142 HydrophobicContact CG1-CD2 4.04Å; V93-L142 HydrophobicContact CG2-CD1 4.32Å; F136-L142 HydrophobicContact CE1-CD1 3.67Å; F136-L142 HydrophobicContact CE2-CD1 4.47Å; F136-L142 HydrophobicContact CZ-CD1 3.59Å; M137-L142 HydrophobicContact CB-CB 4.27Å; M137-L142 VanDerWaalsContact CE-O 3.28Å; M137-L142 WeakPolarHBondContact CE-O 3.38Å; M137-L142 HydrophobicContact CG-CB 4.34Å; M137-L142 PolarHBondContact O-N 3.45Å; K140-L142 HydrophobicContact CB-CD1 4Å; K140-L142 HydrophobicContact CB-CG 3.9Å; K140-L142 PolarHBondContact O-N 3.5Å
143	V	90	Very high	76.5	Confident	82 Å²	82	99.5 Å²	99.5	50%	0.497	49%	0.492	S	S	.	.			trans	-110.9	146.6	170.4	-65.9	0	0	0	0	110	R97 R145	R97-V143 PolarHBondContact NH2-O 3.01Å; V143-R145 HydrophobicContact CG2-CG 3.94Å; V143-R145 PolarHBondContact O-N 3.41Å
144	L	87.2	Confident	73.8	Confident	94 Å²	94	104 Å²	104	49%	0.492	52%	0.52	S	S	.	.			trans	-65.4	126.9	167.9	-65.5	179.1	0	0	0	107.6	R105 M108 M137	R105-L144 HydrophobicContact CG-CD2 4.31Å; M108-L144 HydrophobicContact CE-CD2 4.41Å; M137-L144 HydrophobicContact CE-CD2 3.99Å; M137-L144 HydrophobicContact CE-CG 3.98Å
145	R	80.7	Confident	71.8	Confident	161 Å²	161	111.6 Å²	111.6	61%	0.608	55%	0.55	S	S	*	*			trans	-116	137.3	176.7	-64.2	-173.1	180	-174.5	-0.8	108.2	V143	V143-R145 HydrophobicContact CG2-CG 3.94Å; V143-R145 PolarHBondContact O-N 3.41Å
146	Q	69.6	Low	70	Confident	180 Å²	180	111 Å²	111	84%	0.841	56%	0.558	S	S	*	*			trans	-72.4	160	161.5	-64.5	-146.2	-23.6	0	0	109.1	T148	Q146-T148 PolarHBondContact O-N 3.01Å
147	R	62.9	Low	68.1	Low	185 Å²	185	114.8 Å²	114.8	70%	0.698	58%	0.578	S	S	*	*			trans	-55.9	111.8	178.2	-170	175.2	-176	170.5	-0.7	108.6	I102	I102-R147 HydrophobicContact CD1-CB 3.95Å; I102-R147 HydrophobicContact CG1-CB 4.04Å
148	T	55.4	Low	66.4	Low	112 Å²	112	115.9 Å²	115.9	69%	0.687	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-70.9	126.5	159.8	34.5	0	0	0	0	106.1	Q146 T150	Q146-T148 PolarHBondContact O-N 3.01Å; T148-T150 PolarHBondContact O-N 3.28Å
149	K	53.8	Low	64.7	Low	191 Å²	191	114.3 Å²	114.3	83%	0.83	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-50.9	120.6	166.5	-70.2	-176.5	177.7	-176.7	0	106.2	L151	K149-L151 PolarHBondContact O-N 3.42Å; K149-L151 VanDerWaalsContact O-N 3.13Å
150	T	48.2	Very low	63.1	Low	82 Å²	82	117.5 Å²	117.5	50%	0.503	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-54.3	121.4	163.3	-35.8	0	0	0	0	104.3	T148 D152	T148-T150 PolarHBondContact O-N 3.28Å; T150-D152 PolarHBondContact O-N 3.1Å
151	L	47.7	Very low	61.7	Low	158 Å²	158	119.2 Å²	119.2	83%	0.827	63%	0.627	S	S	*	*			trans	-67.9	96.1	168.2	-73.4	170.7	0	0	0	104.3	K149 G153	K149-L151 PolarHBondContact O-N 3.42Å; K149-L151 VanDerWaalsContact O-N 3.13Å; L151-G153 PolarHBondContact O-N 3.38Å
152	D	40.7	Very low	60.4	Low	155 Å²	155	119 Å²	119	83%	0.829	63%	0.625	S	S	*	*			trans	-57.7	103.6	166.1	-57	-39.3	0	0	0	105.8	T150	T150-D152 PolarHBondContact O-N 3.1Å
153	G	39.6	Very low	59.4	Low	61 Å²	61	122 Å²	122	63%	0.629	64%	0.641	S	S	*	*			trans	161.7	50.6	-178.6	0	0	0	0	0	116.8	L151	L151-G153 PolarHBondContact O-N 3.38Å
154	T	38.9	Very low	58.6	Low	94 Å²	94	121 Å²	121	58%	0.577	64%	0.635	S	S	*	*			trans	-159.2	127.7	144	38.4	0	0	0	0	109.2	D156 D157	T154-D156 PolarHBondContact O-N 2.72Å; T154-D157 VanDerWaalsContact O-CG 3.31Å; T154-D157 PolarHBondContact O-N 3.41Å
155	E	51.8	Low	57.9	Low	203 Å²	203	120.3 Å²	120.3	95%	0.949	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	8.1	-173	-65.8	173.7	145.6	0	0	115.4
156	D	54.4	Low	57.5	Low	134 Å²	134	115 Å²	115	72%	0.717	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-13.3	177	-68.6	-34.8	0	0	0	113.7	T154 G158	T154-D156 PolarHBondContact O-N 2.72Å; D156-G158 VanDerWaalsContact C-N 3.26Å; D156-G158 PolarHBondContact O-N 2.81Å
157	D	55.3	Low	57.7	Low	79 Å²	79	110.7 Å²	110.7	42%	0.422	61%	0.608	S	S	.	*	H	α-helix	trans	-71.1	-20.9	-176.7	-53.7	-28.3	0	0	0	113.3	T154 T161	T154-D157 VanDerWaalsContact O-CG 3.31Å; T154-D157 PolarHBondContact O-N 3.41Å; D157-T161 WeakPolarHBondContact O-CG2 3.35Å; D157-T161 PolarHBondContact O-N 3.12Å; D157-T161 PolarHBondContact O-OG1 3.2Å
158	G	58.3	Low	58.2	Low	35 Å²	35	105.7 Å²	105.7	36%	0.361	60%	0.596	S	S	.	*	H	α-helix	trans	-66	-36.7	179.6	0	0	0	0	0	112.8	D156 T161 L162	D156-G158 VanDerWaalsContact C-N 3.26Å; D156-G158 PolarHBondContact O-N 2.81Å; G158-T161 WeakPolarHBondContact CA-OG1 3.46Å; G158-T161 PolarHBondContact O-OG1 3.31Å; G158-T161 VanDerWaalsContact O-OG1 3.08Å; G158-L162 VanDerWaalsContact O-CB 3.26Å; G158-L162 WeakPolarHBondContact O-CB 3.25Å; G158-L162 WeakPolarHBondContact O-CD1 3.43Å; G158-L162 VanDerWaalsContact O-CG 3.26Å; G158-L162 WeakPolarHBondContact O-CG 3.31Å; G158-L162 PolarHBondContact O-N 2.69Å
159	L	55.6	Low	59	Low	121 Å²	121	104.4 Å²	104.4	63%	0.634	59%	0.587	S	S	*	*	H	α-helix	trans	-71.7	-42.4	-179	-147.4	95.5	0	0	0	111	T161 L163	L159-T161 PolarHBondContact O-N 3.48Å; L159-L163 HydrophobicContact CD2-CD1 3.68Å; L159-L163 HydrophobicContact CG-CD1 3.81Å; L159-L163 HydrophobicContact CG-CG 4.47Å; L159-L163 WeakPolarHBondContact O-CB 3.13Å; L159-L163 WeakPolarHBondContact O-CD1 3.42Å; L159-L163 WeakPolarHBondContact O-CG 3.14Å; L159-L163 PolarHBondContact O-N 2.97Å
160	L	57.9	Low	60	Low	127 Å²	127	102.6 Å²	102.6	67%	0.665	58%	0.58	S	S	*	*	H	α-helix	trans	-66.2	-40.5	-179.4	-151.4	91.6	0	0	0	111.2	L163 T164	L160-L163 PolarHBondContact O-N 3.39Å; L160-T164 PolarHBondContact O-N 2.95Å; L160-T164 PolarHBondContact O-OG1 3.5Å
161	T	63.6	Low	61.4	Low	91 Å²	91	104 Å²	104	56%	0.558	58%	0.576	S	S	*	*	H	α-helix	trans	-71.2	-38.5	178.7	51.4	0	0	0	0	113	D157 G158 L159 T164 P165	D157-T161 WeakPolarHBondContact O-CG2 3.35Å; D157-T161 PolarHBondContact O-N 3.12Å; D157-T161 PolarHBondContact O-OG1 3.2Å; G158-T161 WeakPolarHBondContact CA-OG1 3.46Å; G158-T161 PolarHBondContact O-OG1 3.31Å; G158-T161 VanDerWaalsContact O-OG1 3.08Å; L159-T161 PolarHBondContact O-N 3.48Å; T161-T164 WeakPolarHBondContact CA-OG1 3.3Å; T161-T164 PolarHBondContact O-OG1 3.05Å; T161-P165 WeakPolarHBondContact O-CD 3.47Å
162	L	63.9	Low	62.6	Low	140 Å²	140	99.1 Å²	99.1	73%	0.733	56%	0.559	S	S	*	*	H	α-helix	trans	-69.2	-34.3	173	-77.5	167.2	0	0	0	112.7	G158 P165	G158-L162 VanDerWaalsContact O-CB 3.26Å; G158-L162 WeakPolarHBondContact O-CB 3.25Å; G158-L162 WeakPolarHBondContact O-CD1 3.43Å; G158-L162 VanDerWaalsContact O-CG 3.26Å; G158-L162 WeakPolarHBondContact O-CG 3.31Å; G158-L162 PolarHBondContact O-N 2.69Å; L162-P165 WeakPolarHBondContact O-CD 2.93Å
163	L	71.1	Confident	64.3	Low	78 Å²	78	96.8 Å²	96.8	41%	0.408	54%	0.544	S	S	.	.	H	α-helix	trans	-87.3	-15.1	179.8	-64.9	173.2	0	0	0	113.2	L159 L160 A166 I167	L159-L163 HydrophobicContact CD2-CD1 3.68Å; L159-L163 HydrophobicContact CG-CD1 3.81Å; L159-L163 HydrophobicContact CG-CG 4.47Å; L159-L163 WeakPolarHBondContact O-CB 3.13Å; L159-L163 WeakPolarHBondContact O-CD1 3.42Å; L159-L163 WeakPolarHBondContact O-CG 3.14Å; L159-L163 PolarHBondContact O-N 2.97Å; L160-L163 PolarHBondContact O-N 3.39Å; L163-A166 WeakPolarHBondContact O-CB 3.43Å; L163-A166 PolarHBondContact O-N 3.44Å; L163-I167 HydrophobicContact CB-CD1 3.99Å; L163-I167 HydrophobicContact CB-CG1 4.4Å; L163-I167 WeakPolarHBondContact O-CB 3.26Å; L163-I167 VanDerWaalsContact O-CG1 3.32Å; L163-I167 WeakPolarHBondContact O-CG1 3.4Å; L163-I167 PolarHBondContact O-N 2.86Å
164	T	74.8	Confident	66.1	Low	59 Å²	59	102.2 Å²	102.2	36%	0.362	55%	0.546	S	S	.	.	H	α-helix	trans	-56.2	-44.5	-178.3	-34.5	0	0	0	0	112.5	L160 T161 A166 N168	L160-T164 PolarHBondContact O-N 2.95Å; L160-T164 PolarHBondContact O-OG1 3.5Å; T161-T164 WeakPolarHBondContact CA-OG1 3.3Å; T161-T164 PolarHBondContact O-OG1 3.05Å; T164-A166 PolarHBondContact O-N 3.5Å; T164-N168 VanDerWaalsContact O-CB 3.29Å; T164-N168 WeakPolarHBondContact O-CB 3.46Å; T164-N168 PolarHBondContact O-N 3.12Å; T164-N168 PolarHBondContact O-ND2 3.38Å
165	P	72.5	Confident	67.8	Low	81 Å²	81	104 Å²	104	53%	0.526	55%	0.548	S	S	.	.	H	α-helix	trans	-60.1	-44.8	174.4	-21.3	32.9	0	0	0	112.1	T161 L162 N168 V169	T161-P165 WeakPolarHBondContact O-CD 3.47Å; L162-P165 WeakPolarHBondContact O-CD 2.93Å; P165-N168 PolarHBondContact O-N 2.64Å; P165-V169 WeakPolarHBondContact O-CG2 3.28Å; P165-V169 PolarHBondContact O-N 3.3Å
166	A	70.8	Confident	68.6	Low	48 Å²	48	98.8 Å²	98.8	40%	0.397	53%	0.533	S	S	.	.	H	α-helix	trans	-65.4	-43.2	-179.3	0	0	0	0	0	112.3	L163 T164 N168 V169 F170	L163-A166 WeakPolarHBondContact O-CB 3.43Å; L163-A166 PolarHBondContact O-N 3.44Å; T164-A166 PolarHBondContact O-N 3.5Å; A166-N168 VanDerWaalsContact C-N 3.34Å; A166-V169 PolarHBondContact O-N 3.18Å; A166-F170 PolarHBondContact O-N 3.43Å
167	I	75.2	Confident	69.2	Low	90 Å²	90	97.6 Å²	97.6	46%	0.462	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-41.7	175.4	-66.9	166.5	0	0	0	110.3	L163 F170 R171	L163-I167 HydrophobicContact CB-CD1 3.99Å; L163-I167 HydrophobicContact CB-CG1 4.4Å; L163-I167 WeakPolarHBondContact O-CB 3.26Å; L163-I167 VanDerWaalsContact O-CG1 3.32Å; L163-I167 WeakPolarHBondContact O-CG1 3.4Å; L163-I167 PolarHBondContact O-N 2.86Å; I167-F170 PolarHBondContact O-N 3.3Å; I167-R171 WeakPolarHBondContact O-CB 3.47Å; I167-R171 PolarHBondContact O-N 3.41Å
168	N	73.1	Confident	70.2	Confident	81 Å²	81	95.3 Å²	95.3	43%	0.433	52%	0.518	S	S	.	.	H	α-helix	trans	-66.2	-39.3	177.1	-73.6	-21.5	0	0	0	112.2	T164 P165 A166 R171 A172	T164-N168 VanDerWaalsContact O-CB 3.29Å; T164-N168 WeakPolarHBondContact O-CB 3.46Å; T164-N168 PolarHBondContact O-N 3.12Å; T164-N168 PolarHBondContact O-ND2 3.38Å; P165-N168 PolarHBondContact O-N 2.64Å; A166-N168 VanDerWaalsContact C-N 3.34Å; N168-R171 PolarHBondContact O-N 2.87Å; N168-A172 WeakPolarHBondContact O-CB 3.26Å; N168-A172 PolarHBondContact O-N 3.07Å
169	V	72.8	Confident	70.7	Confident	84 Å²	84	96.5 Å²	96.5	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-46.1	172.8	174.7	0	0	0	0	110.4	P165 A166 R171 A172 M173	P165-V169 WeakPolarHBondContact O-CG2 3.28Å; P165-V169 PolarHBondContact O-N 3.3Å; A166-V169 PolarHBondContact O-N 3.18Å; V169-R171 VanDerWaalsContact C-N 3.33Å; V169-R171 PolarHBondContact O-N 3.06Å; V169-A172 PolarHBondContact O-N 2.97Å; V169-M173 HydrophobicContact CG1-CG 4.39Å; V169-M173 HydrophobicContact CG1-SD 4.05Å; V169-M173 WeakPolarHBondContact O-CB 3.41Å; V169-M173 WeakPolarHBondContact O-CG 3.31Å; V169-M173 PolarHBondContact O-N 2.72Å
170	F	74.1	Confident	71.2	Confident	153 Å²	153	93.7 Å²	93.7	67%	0.671	52%	0.515	S	S	*	.	H	α-helix	trans	-59.5	-43.4	176.8	-105.9	-82	0	0	0	112.3	A166 I167 M173 Y174	A166-F170 PolarHBondContact O-N 3.43Å; I167-F170 PolarHBondContact O-N 3.3Å; F170-M173 PolarHBondContact O-N 2.96Å; F170-Y174 WeakPolarHBondContact O-CB 3.15Å; F170-Y174 PolarHBondContact O-N 3.12Å
171	R	76.5	Confident	71.6	Confident	111 Å²	111	92.1 Å²	92.1	42%	0.419	51%	0.511	S	S	.	.	H	α-helix	trans	-66.2	-40.3	177.9	-156.1	178.7	-154.8	172.2	0.3	111.8	E91 E95 I167 N168 V169 Y174 H175	E91-R171 IonicContact OE1-NH2 3.77Å; E95-R171 IonicContact OE1-CZ 3.74Å; E95-R171 IonicContact OE1-NH1 2.73Å; E95-R171 PolarHBondContact OE1-NH1 3.21Å; I167-R171 WeakPolarHBondContact O-CB 3.47Å; I167-R171 PolarHBondContact O-N 3.41Å; N168-R171 PolarHBondContact O-N 2.87Å; V169-R171 VanDerWaalsContact C-N 3.33Å; V169-R171 PolarHBondContact O-N 3.06Å; R171-Y174 PolarHBondContact O-N 2.89Å; R171-H175 PolarHBondContact O-CD2 3.33Å; R171-H175 PolarHBondContact O-N 3.3Å
172	A	73.5	Confident	71.8	Confident	57 Å²	57	92.9 Å²	92.9	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-64.4	-43.4	175.2	0	0	0	0	0	111.6	N168 V169 H175 C176	N168-A172 WeakPolarHBondContact O-CB 3.26Å; N168-A172 PolarHBondContact O-N 3.07Å; V169-A172 PolarHBondContact O-N 2.97Å; A172-H175 PolarHBondContact O-N 3.37Å; A172-C176 PolarHBondContact O-N 3.08Å
173	M	77.3	Confident	72	Confident	105 Å²	105	94.6 Å²	94.6	52%	0.517	51%	0.508	S	S	.	.	H	α-helix	trans	-61.1	-43.9	174	-75.2	177.7	72.1	0	0	111.5	V169 F170 H175 C176 L177	V169-M173 HydrophobicContact CG1-CG 4.39Å; V169-M173 HydrophobicContact CG1-SD 4.05Å; V169-M173 WeakPolarHBondContact O-CB 3.41Å; V169-M173 WeakPolarHBondContact O-CG 3.31Å; V169-M173 PolarHBondContact O-N 2.72Å; F170-M173 PolarHBondContact O-N 2.96Å; M173-H175 VanDerWaalsContact C-N 3.35Å; M173-H175 PolarHBondContact O-N 3.05Å; M173-C176 PolarHBondContact O-N 3.32Å; M173-L177 WeakPolarHBondContact O-CB 3.32Å; M173-L177 WeakPolarHBondContact O-CG 3.29Å; M173-L177 PolarHBondContact O-N 2.88Å
174	Y	77.3	Confident	71.8	Confident	175 Å²	175	94 Å²	94	69%	0.686	51%	0.511	S	S	*	.	H	α-helix	trans	-62.6	-41.5	178	-158.2	-87	0	0	0	111.9	F170 R171 L177 A178	F170-Y174 WeakPolarHBondContact O-CB 3.15Å; F170-Y174 PolarHBondContact O-N 3.12Å; R171-Y174 PolarHBondContact O-N 2.89Å; Y174-L177 PolarHBondContact O-N 3.26Å; Y174-A178 VanDerWaalsContact O-CB 3.27Å; Y174-A178 WeakPolarHBondContact O-CB 3.47Å; Y174-A178 PolarHBondContact O-N 3.44Å
175	H	74.6	Confident	71.3	Confident	132 Å²	132	94.4 Å²	94.4	61%	0.611	52%	0.516	S	S	*	.	H	α-helix	trans	-65.3	-39.8	173.9	-88.5	-71.3	0	0	0	113	R171 A172 M173 A179	R171-H175 PolarHBondContact O-CD2 3.33Å; R171-H175 PolarHBondContact O-N 3.3Å; A172-H175 PolarHBondContact O-N 3.37Å; M173-H175 VanDerWaalsContact C-N 3.35Å; M173-H175 PolarHBondContact O-N 3.05Å; H175-A179 VanDerWaalsContact O-CB 3.29Å; H175-A179 WeakPolarHBondContact O-CB 3.36Å; H175-A179 PolarHBondContact O-N 3.06Å
176	C	69	Low	70.8	Confident	93 Å²	93	94.2 Å²	94.2	63%	0.628	51%	0.513	S	S	*	.	H	α-helix	trans	-63.4	-44	174.2	-86.7	0	0	0	0	112.2	A172 M173 A179 S180	A172-C176 PolarHBondContact O-N 3.08Å; M173-C176 PolarHBondContact O-N 3.32Å; C176-A179 PolarHBondContact O-N 3.49Å; C176-S180 PolarHBondContact O-N 3.04Å; C176-S180 PolarHBondContact O-OG 3.34Å
177	L	66.8	Low	71	Confident	109 Å²	109	96.9 Å²	96.9	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-66.5	-40.8	177.6	-72.5	170	0	0	0	112.1	M173 Y174 S180 T181	M173-L177 WeakPolarHBondContact O-CB 3.32Å; M173-L177 WeakPolarHBondContact O-CG 3.29Å; M173-L177 PolarHBondContact O-N 2.88Å; Y174-L177 PolarHBondContact O-N 3.26Å; L177-S180 PolarHBondContact O-N 3.11Å; L177-S180 PolarHBondContact O-OG 3.3Å; L177-T181 PolarHBondContact O-N 3.42Å; L177-T181 PolarHBondContact O-OG1 2.7Å
178	A	75.3	Confident	70.1	Confident	32 Å²	32	100.6 Å²	100.6	26%	0.264	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-40.6	174.5	0	0	0	0	0	111.5	Y174 T181 I182	Y174-A178 VanDerWaalsContact O-CB 3.27Å; Y174-A178 WeakPolarHBondContact O-CB 3.47Å; Y174-A178 PolarHBondContact O-N 3.44Å; A178-T181 WeakPolarHBondContact CA-OG1 3.28Å; A178-T181 PolarHBondContact O-OG1 2.9Å; A178-I182 WeakPolarHBondContact O-CB 3.33Å; A178-I182 WeakPolarHBondContact O-CD1 3.47Å; A178-I182 WeakPolarHBondContact O-CG1 3.45Å; A178-I182 PolarHBondContact O-N 2.78Å
179	A	69.7	Low	69.8	Low	59 Å²	59	103.8 Å²	103.8	49%	0.488	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-40.9	176.4	0	0	0	0	0	112.3	H175 C176 Y183	H175-A179 VanDerWaalsContact O-CB 3.29Å; H175-A179 WeakPolarHBondContact O-CB 3.36Å; H175-A179 PolarHBondContact O-N 3.06Å; C176-A179 PolarHBondContact O-N 3.49Å; A179-Y183 WeakPolarHBondContact O-CB 3.46Å; A179-Y183 PolarHBondContact O-N 3.42Å
180	S	66.2	Low	69.2	Low	63 Å²	63	107.2 Å²	107.2	44%	0.441	55%	0.55	S	S	.	.	H	α-helix	trans	-71.3	-37.7	178.9	62.8	0	0	0	0	113	C176 L177 Y183 S184	C176-S180 PolarHBondContact O-N 3.04Å; C176-S180 PolarHBondContact O-OG 3.34Å; L177-S180 PolarHBondContact O-N 3.11Å; L177-S180 PolarHBondContact O-OG 3.3Å; S180-Y183 PolarHBondContact O-N 3.15Å; S180-S184 WeakPolarHBondContact O-CB 3.26Å; S180-S184 PolarHBondContact O-N 3.36Å
181	T	66.6	Low	68.5	Low	93 Å²	93	106.8 Å²	106.8	57%	0.571	55%	0.55	S	S	*	.	H	α-helix	trans	-66.2	-41.4	174	28.7	0	0	0	0	112.1	L177 A178 S184 S185	L177-T181 PolarHBondContact O-N 3.42Å; L177-T181 PolarHBondContact O-OG1 2.7Å; A178-T181 WeakPolarHBondContact CA-OG1 3.28Å; A178-T181 PolarHBondContact O-OG1 2.9Å; T181-S184 PolarHBondContact O-N 2.98Å; T181-S185 WeakPolarHBondContact O-CB 3.44Å; T181-S185 PolarHBondContact O-N 3.33Å; T181-S185 PolarHBondContact O-OG 3.2Å
182	I	67.3	Low	67.2	Low	107 Å²	107	111 Å²	111	55%	0.549	58%	0.58	S	S	.	*	H	α-helix	trans	-61.3	-49.1	173.5	-67.7	165.6	0	0	0	109.9	A178 S184 S185 V186	A178-I182 WeakPolarHBondContact O-CB 3.33Å; A178-I182 WeakPolarHBondContact O-CD1 3.47Å; A178-I182 WeakPolarHBondContact O-CG1 3.45Å; A178-I182 PolarHBondContact O-N 2.78Å; I182-S184 PolarHBondContact O-N 3.49Å; I182-S185 PolarHBondContact O-N 3.23Å; I182-S185 PolarHBondContact O-OG 3.39Å; I182-V186 HydrophobicContact CG2-CG2 4.23Å; I182-V186 VanDerWaalsContact O-CG2 3.27Å; I182-V186 WeakPolarHBondContact O-CG2 3.49Å; I182-V186 PolarHBondContact O-N 3.39Å
183	Y	68	Low	66.9	Low	177 Å²	177	113.8 Å²	113.8	69%	0.694	59%	0.585	S	S	*	*	H	α-helix	trans	-60.4	-43.3	-179.6	-163.4	-94.9	0	0	0	112.4	A179 S180 V186 F187	A179-Y183 WeakPolarHBondContact O-CB 3.46Å; A179-Y183 PolarHBondContact O-N 3.42Å; S180-Y183 PolarHBondContact O-N 3.15Å; Y183-V186 PolarHBondContact O-N 3.42Å; Y183-F187 VanDerWaalsContact O-CB 3.29Å; Y183-F187 WeakPolarHBondContact O-CB 3.48Å; Y183-F187 PolarHBondContact O-N 3.22Å
184	S	67.6	Low	66.4	Low	66 Å²	66	114.2 Å²	114.2	46%	0.462	59%	0.589	S	S	.	*	H	α-helix	trans	-64.7	-42	177.1	-175.6	0	0	0	0	112.2	S180 T181 I182 F187 Y188	S180-S184 WeakPolarHBondContact O-CB 3.26Å; S180-S184 PolarHBondContact O-N 3.36Å; T181-S184 PolarHBondContact O-N 2.98Å; I182-S184 PolarHBondContact O-N 3.49Å; S184-F187 PolarHBondContact O-N 2.76Å; S184-Y188 WeakPolarHBondContact O-CB 3.42Å; S184-Y188 PolarHBondContact O-N 3.22Å
185	S	63.1	Low	65.8	Low	66 Å²	66	110.8 Å²	110.8	46%	0.462	58%	0.584	S	S	.	*	H	α-helix	trans	-66.6	-39.4	178	74.9	0	0	0	0	113	T181 I182 M189	T181-S185 WeakPolarHBondContact O-CB 3.44Å; T181-S185 PolarHBondContact O-N 3.33Å; T181-S185 PolarHBondContact O-OG 3.2Å; I182-S185 PolarHBondContact O-N 3.23Å; I182-S185 PolarHBondContact O-OG 3.39Å; S185-M189 VanDerWaalsContact O-CG 3.28Å; S185-M189 WeakPolarHBondContact O-CG 3.31Å; S185-M189 PolarHBondContact O-N 3.37Å; S185-M189 VanDerWaalsContact O-N 3.13Å
186	V	61.9	Low	65.2	Low	77 Å²	77	109.6 Å²	109.6	47%	0.467	58%	0.582	S	S	.	*	H	α-helix	trans	-70.6	-39.3	178.7	176.4	0	0	0	0	110.4	I182 Y183 M189 Q190	I182-V186 HydrophobicContact CG2-CG2 4.23Å; I182-V186 VanDerWaalsContact O-CG2 3.27Å; I182-V186 WeakPolarHBondContact O-CG2 3.49Å; I182-V186 PolarHBondContact O-N 3.39Å; Y183-V186 PolarHBondContact O-N 3.42Å; V186-M189 PolarHBondContact O-N 3.19Å; V186-Q190 PolarHBondContact O-N 3.46Å
187	F	75	Confident	65	Low	105 Å²	105	110.6 Å²	110.6	46%	0.461	58%	0.579	S	S	.	*	H	α-helix	trans	-65.4	-41.4	176	-167.8	-94.1	0	0	0	112.1	Y183 S184 M189 Q190	Y183-F187 VanDerWaalsContact O-CB 3.29Å; Y183-F187 WeakPolarHBondContact O-CB 3.48Å; Y183-F187 PolarHBondContact O-N 3.22Å; S184-F187 PolarHBondContact O-N 2.76Å; F187-M189 VanDerWaalsContact C-N 3.34Å; F187-M189 PolarHBondContact O-N 3.23Å; F187-Q190 PolarHBondContact O-N 3.49Å
188	Y	56.7	Low	64.9	Low	168 Å²	168	110.7 Å²	110.7	66%	0.659	58%	0.58	S	S	*	*	H	α-helix	trans	-65.2	-36	176.7	-110.8	-84.6	0	0	0	112.9	S184 Q190 Q191	S184-Y188 WeakPolarHBondContact O-CB 3.42Å; S184-Y188 PolarHBondContact O-N 3.22Å; Y188-Q190 PolarHBondContact O-N 3.34Å; Y188-Q191 PolarHBondContact O-N 3.4Å
189	M	66.8	Low	64.1	Low	148 Å²	148	116.4 Å²	116.4	73%	0.729	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-10.9	176.9	-71	-71.1	-119.4	0	0	113.7	S185 V186 F187	S185-M189 VanDerWaalsContact O-CG 3.28Å; S185-M189 WeakPolarHBondContact O-CG 3.31Å; S185-M189 PolarHBondContact O-N 3.37Å; S185-M189 VanDerWaalsContact O-N 3.13Å; V186-M189 PolarHBondContact O-N 3.19Å; F187-M189 VanDerWaalsContact C-N 3.34Å; F187-M189 PolarHBondContact O-N 3.23Å
190	Q	60.6	Low	63.7	Low	155 Å²	155	120.8 Å²	120.8	72%	0.724	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-5.2	177.6	-111	167.9	-41.1	0	0	113.9	V186 F187 Y188	V186-Q190 PolarHBondContact O-N 3.46Å; F187-Q190 PolarHBondContact O-N 3.49Å; Y188-Q190 PolarHBondContact O-N 3.34Å
191	Q	59.4	Low	63.5	Low	145 Å²	145	125.6 Å²	125.6	68%	0.678	63%	0.625	S	S	*	*			trans	-105.5	4	175.7	-69.7	-163.9	0.7	0	0	114	Y188	Y188-Q191 PolarHBondContact O-N 3.4Å
192	L	49.4	Very low	63.2	Low	200 Å²	200	128.5 Å²	128.5	100%	1.047	63%	0.63	S	S	*	*			trans	-106.2	0	170.9	-66.6	174.3	0	0	0	109.9

Retrieved 192 of 192 residues in 533.5 ms (Link to these results)

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