COPZ1_HUMAN Loading...

Coatomer subunit zeta-1

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network. Coatomer complex is required for budding from Golgi membranes, and is essential for the retrograde Golgi-to-ER transport of dilysine-tagged proteins (By similarity). The zeta subunit may be involved in regulating the coat assembly and, hence, the rate of biosynthetic protein transport due to its association-dissociation properties with the coatomer complex (By similarity).

AlphaFold DB (Q5R5F2), UniProt , Accession P61923, Species HUMAN (Homo sapiens, Human), Gene COPZ1, Length 177 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	71.7	Confident	240 Å²	240	144.9 Å²	144.9	100%	1.182	76%	0.761	S	S	*	*				0	99.5	0	-113.3	171.1	76	0	0	105.2	A3	M1-A3 PolarHBondContact O-N 3.31Å; M1-A3 VanDerWaalsContact O-N 3.1Å
2	E	49.9	Very low	73.6	Confident	187 Å²	187	133.2 Å²	133.2	87%	0.874	70%	0.7	S	S	*	*			trans	-59.2	116.1	162.7	-86.9	170.7	155.8	0	0	105.3	L4	E2-L4 PolarHBondContact O-N 3.06Å
3	A	58.8	Low	75.4	Confident	79 Å²	79	123.2 Å²	123.2	65%	0.653	65%	0.648	S	S	*	*			trans	-56.3	116.8	161.5	0	0	0	0	0	104.4	M1 I5	M1-A3 PolarHBondContact O-N 3.31Å; M1-A3 VanDerWaalsContact O-N 3.1Å; A3-I5 HydrophobicContact CB-CG1 4.48Å; A3-I5 PolarHBondContact O-N 3.43Å
4	L	63.6	Low	77	Confident	170 Å²	170	117.7 Å²	117.7	89%	0.89	62%	0.616	S	S	*	*			trans	-61.4	89.9	165.8	-80.2	159	0	0	0	105	E2 L6	E2-L4 PolarHBondContact O-N 3.06Å; L4-L6 VanDerWaalsContact C-N 3.26Å; L4-L6 PolarHBondContact O-N 3.4Å
5	I	66.1	Low	78.4	Confident	149 Å²	149	109.9 Å²	109.9	76%	0.764	58%	0.575	S	S	*	*			trans	-69.2	98.6	169.6	-64.3	170.1	0	0	0	103.1	A3 E7	A3-I5 HydrophobicContact CB-CG1 4.48Å; A3-I5 PolarHBondContact O-N 3.43Å; I5-E7 PolarHBondContact O-N 3.46Å
6	L	72	Confident	79.7	Confident	109 Å²	109	103.1 Å²	103.1	57%	0.571	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-60	122	170.8	-166.5	79.8	0	0	0	106.6	L4 Y84	L4-L6 VanDerWaalsContact C-N 3.26Å; L4-L6 PolarHBondContact O-N 3.4Å; L6-Y84 HydrophobicContact CD2-CG 4.38Å
7	E	79.3	Confident	80.8	Confident	166 Å²	166	97.1 Å²	97.1	78%	0.776	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-62.5	135.2	174.5	-69.1	-171.5	163.1	0	0	108.7	I5 S9	I5-E7 PolarHBondContact O-N 3.46Å; E7-S9 PolarHBondContact O-N 2.7Å
8	P	81.4	Confident	81.8	Confident	135 Å²	135	91.7 Å²	91.7	88%	0.877	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-59.7	132.9	177.8	25.6	-33.3	0	0	0	109.6
9	S	88.3	Confident	82.7	Confident	67 Å²	67	86.8 Å²	86.8	47%	0.469	45%	0.454	S	S	.	.			trans	-128.9	144.9	-178.5	179.5	0	0	0	0	110.2	E7 Y11	E7-S9 PolarHBondContact O-N 2.7Å; S9-Y11 VanDerWaalsContact C-N 3.31Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.43Å; S9-Y11 PolarHBondContact OG-N 3.42Å; S9-Y11 VanDerWaalsContact OG-N 3.12Å
10	L	91.6	Very high	83.4	Confident	130 Å²	130	82.8 Å²	82.8	68%	0.681	43%	0.433	S	S	*	.	S	Bend	trans	-80.7	-15.2	171.1	-65.3	176.4	0	0	0	112.3	T12 V133	L10-T12 VanDerWaalsContact C-N 3.33Å; L10-T12 PolarHBondContact O-N 3.16Å; L10-V133 HydrophobicContact CB-CG1 4.12Å; L10-V133 HydrophobicContact CB-CG2 4Å; L10-V133 WeakPolarHBondContact O-CA 3.12Å
11	Y	93.9	Very high	84	Confident	162 Å²	162	82.9 Å²	82.9	64%	0.635	43%	0.434	S	S	*	.	B	Isolated β-bridge	trans	-82.2	74.7	-176.8	-61.2	-80.3	0	0	0	111.1	S9 G131 V133	S9-Y11 VanDerWaalsContact C-N 3.31Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.43Å; S9-Y11 PolarHBondContact OG-N 3.42Å; S9-Y11 VanDerWaalsContact OG-N 3.12Å; Y11-G131 WeakPolarHBondContact CD1-O 3.47Å; Y11-V133 HydrophobicContact CD1-CG2 4.04Å; Y11-V133 HydrophobicContact CE1-CG2 4.09Å
12	T	94.6	Very high	86.6	Confident	4 Å²	4	76.5 Å²	76.5	3%	0.025	41%	0.405	C	S	.	.			trans	-87.9	-38.7	-173.5	-55.6	0	0	0	0	112.8	L10 E85 M89 L90 G132 I134	L10-T12 VanDerWaalsContact C-N 3.33Å; L10-T12 PolarHBondContact O-N 3.16Å; T12-E85 HydrophobicContact CG2-CB 4.4Å; T12-E85 HydrophobicContact CG2-CG 4.27Å; T12-E85 WeakPolarHBondContact CG2-OE2 3.39Å; T12-E85 WeakPolarHBondContact O-CG 3.47Å; T12-M89 HydrophobicContact CG2-CB 4.34Å; T12-M89 HydrophobicContact CG2-CE 4.18Å; T12-L90 HydrophobicContact CG2-CD2 3.89Å; T12-G132 PolarHBondContact N-O 2.77Å; T12-I134 HydrophobicContact CG2-CD1 4.19Å
13	V	97.9	Very high	88.8	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.024	37%	0.366	C	S	.	.			trans	-99.2	121.2	-171.8	-176.9	0	0	0	0	110.3	I16 Y31 V79 L90 V93 V129 G132 I134	V13-I16 HydrophobicContact CG1-CD1 4.46Å; V13-I16 HydrophobicContact CG1-CG1 3.98Å; V13-Y31 HydrophobicContact CB-CD2 4.38Å; V13-Y31 HydrophobicContact CG1-CD2 3.92Å; V13-Y31 HydrophobicContact CG1-CE2 3.85Å; V13-Y31 WeakPolarHBondContact O-CB 3.46Å; V13-Y31 WeakPolarHBondContact O-CD2 3.43Å; V13-V79 HydrophobicContact CG1-CG1 3.96Å; V13-V79 HydrophobicContact CG2-CG1 4.33Å; V13-L90 HydrophobicContact CG2-CD2 4.26Å; V13-V93 HydrophobicContact CG2-CG2 4.15Å; V13-V129 HydrophobicContact CB-CG1 4.03Å; V13-V129 HydrophobicContact CG1-CG1 4.36Å; V13-V129 HydrophobicContact CG2-CG1 4.35Å; V13-V129 HydrophobicContact CG2-CG2 4.21Å; V13-G132 PolarHBondContact N-O 3.15Å; V13-G132 WeakPolarHBondContact O-CA 3.36Å; V13-I134 HydrophobicContact CG2-CD1 4.44Å; V13-I134 HydrophobicContact CG2-CG1 4.03Å
14	K	97.6	Very high	90.7	Very high	46 Å²	46	68.6 Å²	68.6	20%	0.2	36%	0.359	C	S	.	.	S	Bend	trans	-88.2	-38.6	175	-66.5	-175.3	161.4	-78.5	0	112.6	Y30 Y31 D32 T34 L65 I80	K14-Y30 WeakPolarHBondContact O-CA 3.26Å; K14-Y31 PolarHBondContact O-N 3.46Å; K14-D32 WeakPolarHBondContact CG-OD2 3.18Å; K14-D32 IonicContact NZ-OD2 2.88Å; K14-D32 PolarHBondContact NZ-OD2 2.96Å; K14-T34 PolarHBondContact NZ-OG1 2.92Å; K14-L65 HydrophobicContact CD-CD2 3.57Å; K14-I80 HydrophobicContact CB-CG2 4.41Å; K14-I80 PolarHBondContact N-O 2.95Å
15	A	98.3	Very high	92.3	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.008	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	154.3	177	0	0	0	0	0	113.3	L17 K29 Y30 I80	A15-L17 HydrophobicContact CB-CD2 4.33Å; A15-K29 CarbonylContact C-O 3.45Å; A15-K29 WeakPolarHBondContact CA-O 3.12Å; A15-K29 WeakPolarHBondContact CB-O 3.31Å; A15-Y30 HydrophobicContact CB-CD1 3.58Å; A15-Y30 HydrophobicContact CB-CE1 3.81Å; A15-Y30 HydrophobicContact CB-CG 4.02Å; A15-I80 HydrophobicContact CB-CB 4.31Å; A15-I80 HydrophobicContact CB-CD1 4.02Å; A15-I80 PolarHBondContact N-O 3.5Å; A15-I80 PolarHBondContact O-N 3.23Å
16	I	98.6	Very high	93.8	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.7	168.4	-62.5	173.4	0	0	0	107.7	V13 F27 A28 K29 Y31 Y78 V79 V93 L97 V125 V129	V13-I16 HydrophobicContact CG1-CD1 4.46Å; V13-I16 HydrophobicContact CG1-CG1 3.98Å; I16-F27 HydrophobicContact CB-CE1 4.4Å; I16-F27 HydrophobicContact CG2-CE1 4.12Å; I16-A28 WeakPolarHBondContact O-CA 3.43Å; I16-K29 PolarHBondContact N-O 2.9Å; I16-K29 PolarHBondContact O-N 2.92Å; I16-Y31 HydrophobicContact CD1-CE2 4.15Å; I16-Y31 HydrophobicContact CG1-CE2 4.15Å; I16-Y78 WeakPolarHBondContact CA-O 3.44Å; I16-V79 HydrophobicContact CG1-CG2 4.36Å; I16-V93 HydrophobicContact CD1-CG1 4.18Å; I16-L97 HydrophobicContact CG2-CD2 3.74Å; I16-V125 HydrophobicContact CD1-CG1 4.08Å; I16-V129 HydrophobicContact CD1-CB 4.21Å; I16-V129 HydrophobicContact CD1-CG2 3.85Å
17	L	98.6	Very high	95.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.8	-177.4	-41.9	169.2	0	0	0	110.3	A15 F27 A28 Y30 F44 E45 Y78 I80	A15-L17 HydrophobicContact CB-CD2 4.33Å; L17-F27 WeakPolarHBondContact CA-O 3.49Å; L17-A28 HydrophobicContact CD2-CB 3.64Å; L17-Y30 HydrophobicContact CD2-CE2 3.8Å; L17-F44 HydrophobicContact CD1-CE1 4.37Å; L17-E45 HydrophobicContact CD1-CG 3.97Å; L17-E45 HydrophobicContact CD2-CG 4.32Å; L17-Y78 HydrophobicContact CB-CD2 4.2Å; L17-Y78 PolarHBondContact N-O 2.9Å; L17-Y78 PolarHBondContact O-N 3.48Å; L17-I80 HydrophobicContact CD1-CD1 3.55Å; L17-I80 HydrophobicContact CG-CD1 3.7Å
18	I	98.5	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	118.8	165.2	-51.9	177.2	0	0	0	107.5	L26 F27 L75 Y76 F77 L101 L114 L121	I18-L26 HydrophobicContact CG2-CD1 4.43Å; I18-L26 WeakPolarHBondContact O-CB 3.26Å; I18-L26 PolarHBondContact O-N 2.94Å; I18-F27 HydrophobicContact CB-CB 4.06Å; I18-F27 HydrophobicContact CD1-CB 4.33Å; I18-F27 HydrophobicContact CG1-CB 4.26Å; I18-F27 HydrophobicContact CG1-CD1 4.38Å; I18-F27 PolarHBondContact N-O 3.37Å; I18-F27 PolarHBondContact O-N 3.19Å; I18-L75 HydrophobicContact CG2-CD2 4.02Å; I18-Y76 WeakPolarHBondContact CA-O 3.31Å; I18-F77 HydrophobicContact CD1-CD1 3.81Å; I18-F77 HydrophobicContact CD1-CE1 3.57Å; I18-F77 HydrophobicContact CG1-CD1 3.75Å; I18-F77 HydrophobicContact CG1-CE1 3.98Å; I18-F77 HydrophobicContact CG2-CD1 4.38Å; I18-F77 HydrophobicContact CG2-CE1 4.22Å; I18-F77 HydrophobicContact CG2-CZ 4.49Å; I18-L101 HydrophobicContact CD1-CD1 4.48Å; I18-L114 HydrophobicContact CD1-CD2 4.23Å; I18-L114 HydrophobicContact CG2-CD2 3.92Å; I18-L121 HydrophobicContact CD1-CD1 3.5Å; I18-L121 HydrophobicContact CD1-CD2 3.8Å; I18-L121 HydrophobicContact CD1-CG 4.32Å
19	L	98.5	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	156	177.9	-50.1	-177.9	0	0	0	109.7	D24 R25 E45 F49 Y76 Y78	L19-D24 CarbonylContact C-O 3.51Å; L19-D24 VanDerWaalsContact CA-O 3.29Å; L19-D24 WeakPolarHBondContact CA-O 3.5Å; L19-R25 HydrophobicContact CD2-CB 4.2Å; L19-E45 HydrophobicContact CD1-CB 4.35Å; L19-E45 HydrophobicContact CD2-CB 4.29Å; L19-E45 HydrophobicContact CD2-CG 4.23Å; L19-F49 HydrophobicContact CD1-CB 3.89Å; L19-F49 HydrophobicContact CD1-CD2 4.23Å; L19-F49 HydrophobicContact CD1-CG 4.45Å; L19-Y76 PolarHBondContact N-O 3.33Å; L19-Y76 PolarHBondContact O-N 2.97Å; L19-Y78 HydrophobicContact CB-CE2 4.35Å; L19-Y78 HydrophobicContact CD1-CD2 4.35Å; L19-Y78 HydrophobicContact CD1-CE2 3.79Å; L19-Y78 HydrophobicContact CG-CD2 4.28Å; L19-Y78 HydrophobicContact CG-CE2 3.95Å
20	D	97.5	Very high	97.3	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.032	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-176.8	168.7	70.5	14.7	0	0	0	112.6	D22 G23 D24 L26 F49 D74 K111	D20-D22 PolarHBondContact O-N 3.42Å; D20-D22 WeakPolarHBondContact OD1-CA 3.48Å; D20-D22 PolarHBondContact OD1-N 2.95Å; D20-G23 PolarHBondContact O-N 3.47Å; D20-G23 PolarHBondContact OD1-N 3.34Å; D20-D24 PolarHBondContact N-O 2.91Å; D20-D24 PolarHBondContact OD1-N 3.45Å; D20-L26 HydrophobicContact CB-CD1 4.06Å; D20-L26 HydrophobicContact CB-CD2 4.27Å; D20-L26 HydrophobicContact CB-CG 4.17Å; D20-F49 WeakPolarHBondContact O-CE2 3.4Å; D20-D74 CarbonylContact C-O 3.51Å; D20-D74 WeakPolarHBondContact CA-O 3.37Å; D20-K111 HydrophobicContact CB-CD 3.94Å; D20-K111 IonicContact OD2-NZ 3.02Å; D20-K111 PolarHBondContact OD2-NZ 3.28Å
21	N	96.3	Very high	97.5	Very high	84 Å²	84	37.6 Å²	37.6	45%	0.449	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.2	-179	-166.1	61.6	0	0	0	115.6	F49 D74 Y76	N21-F49 VanDerWaalsContact O-CZ 3.32Å; N21-F49 WeakPolarHBondContact O-CZ 3.33Å; N21-D74 HydrophobicContact CB-CB 4.22Å; N21-D74 PolarHBondContact N-O 3.2Å; N21-Y76 HydrophobicContact CB-CE2 4.23Å; N21-Y76 PolarHBondContact OD1-OH 3.41Å
22	D	96.4	Very high	97.5	Very high	106 Å²	106	32.4 Å²	32.4	57%	0.567	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	-2.9	172.1	-63.9	-57	0	0	0	111.6	D20 D24 K46	D20-D22 PolarHBondContact O-N 3.42Å; D20-D22 WeakPolarHBondContact OD1-CA 3.48Å; D20-D22 PolarHBondContact OD1-N 2.95Å; D22-D24 VanDerWaalsContact C-N 3.33Å; D22-K46 PolarHBondContact O-NZ 3.47Å
23	G	96.9	Very high	97.4	Very high	5 Å²	5	39 Å²	39	5%	0.052	20%	0.198	C	C	.	.	S	Bend	trans	78.1	19.6	-174.8	0	0	0	0	0	112.9	D20 F49	D20-G23 PolarHBondContact O-N 3.47Å; D20-G23 PolarHBondContact OD1-N 3.34Å; G23-F49 VanDerWaalsContact CA-CD2 3.46Å; G23-F49 VanDerWaalsContact CA-CG 3.43Å
24	D	98	Very high	97.1	Very high	96 Å²	96	41.7 Å²	41.7	51%	0.513	21%	0.214	S	C	.	.			trans	-85.6	141.3	174.4	-72.4	-31.3	0	0	0	110.6	L19 D20 D22 L26	L19-D24 CarbonylContact C-O 3.51Å; L19-D24 VanDerWaalsContact CA-O 3.29Å; L19-D24 WeakPolarHBondContact CA-O 3.5Å; D20-D24 PolarHBondContact N-O 2.91Å; D20-D24 PolarHBondContact OD1-N 3.45Å; D22-D24 VanDerWaalsContact C-N 3.33Å; D24-L26 PolarHBondContact O-N 3.2Å
25	R	98.2	Very high	96.9	Very high	79 Å²	79	40.9 Å²	40.9	30%	0.298	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	122.7	-176.8	-174.9	-164	-69.1	-164.3	-7.3	111.3	L19 A28 Q41 E45	L19-R25 HydrophobicContact CD2-CB 4.2Å; R25-A28 HydrophobicContact CG-CB 3.93Å; R25-Q41 VanDerWaalsContact NH2-OE1 3.12Å; R25-E45 IonicContact CZ-OE1 3.55Å; R25-E45 IonicContact CZ-OE2 2.64Å; R25-E45 VanDerWaalsContact NE-CD 3.28Å; R25-E45 IonicContact NE-OE1 2.89Å; R25-E45 PolarHBondContact NE-OE1 3.19Å; R25-E45 IonicContact NE-OE2 3.94Å; R25-E45 PolarHBondContact NE-OE2 3.02Å; R25-E45 IonicContact NH2-OE1 3.37Å; R25-E45 PolarHBondContact NH2-OE1 3.18Å; R25-E45 IonicContact NH2-OE2 3.12Å; R25-E45 PolarHBondContact NH2-OE2 3.36Å
26	L	98.1	Very high	96.7	Very high	34 Å²	34	45.1 Å²	45.1	18%	0.178	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-40.3	164.1	-57	179.2	0	0	0	111	I18 D20 D24 L75 K111 L114 L115	I18-L26 HydrophobicContact CG2-CD1 4.43Å; I18-L26 WeakPolarHBondContact O-CB 3.26Å; I18-L26 PolarHBondContact O-N 2.94Å; D20-L26 HydrophobicContact CB-CD1 4.06Å; D20-L26 HydrophobicContact CB-CD2 4.27Å; D20-L26 HydrophobicContact CB-CG 4.17Å; D24-L26 PolarHBondContact O-N 3.2Å; L26-L75 HydrophobicContact CD1-CD2 3.21Å; L26-K111 HydrophobicContact CD1-CG 4.08Å; L26-L114 HydrophobicContact CD1-CD2 4.48Å; L26-L115 HydrophobicContact CD2-CD2 4.42Å
27	F	98.5	Very high	96.6	Very high	10 Å²	10	47.1 Å²	47.1	4%	0.044	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	141.7	177	176.3	-90.2	0	0	0	110.3	I16 L17 I18 K29 L121 F122 V125	I16-F27 HydrophobicContact CB-CE1 4.4Å; I16-F27 HydrophobicContact CG2-CE1 4.12Å; L17-F27 WeakPolarHBondContact CA-O 3.49Å; I18-F27 HydrophobicContact CB-CB 4.06Å; I18-F27 HydrophobicContact CD1-CB 4.33Å; I18-F27 HydrophobicContact CG1-CB 4.26Å; I18-F27 HydrophobicContact CG1-CD1 4.38Å; I18-F27 PolarHBondContact N-O 3.37Å; I18-F27 PolarHBondContact O-N 3.19Å; F27-K29 HydrophobicContact CE1-CB 3.82Å; F27-K29 HydrophobicContact CZ-CB 3.71Å; F27-K29 HydrophobicContact CZ-CD 4.31Å; F27-L121 HydrophobicContact CB-CD2 3.82Å; F27-L121 HydrophobicContact CD2-CD2 3.88Å; F27-L121 HydrophobicContact CD2-CG 4.28Å; F27-L121 HydrophobicContact CG-CD2 3.9Å; F27-F122 HydrophobicContact CD2-CD1 4.32Å; F27-F122 AromaticContact CD2-CE1 3.86Å; F27-F122 HydrophobicContact CD2-CE1 3.86Å; F27-F122 HydrophobicContact CD2-CZ 4.23Å; F27-F122 AromaticContact CE2-CD1 3.69Å; F27-F122 HydrophobicContact CE2-CD1 3.69Å; F27-F122 AromaticContact CE2-CE1 3.54Å; F27-F122 HydrophobicContact CE2-CE1 3.54Å; F27-F122 HydrophobicContact CE2-CZ 4.35Å; F27-V125 HydrophobicContact CE1-CG1 4.28Å; F27-V125 HydrophobicContact CE1-CG2 4.02Å; F27-V125 HydrophobicContact CZ-CB 4.12Å; F27-V125 HydrophobicContact CZ-CG1 3.89Å; F27-V125 HydrophobicContact CZ-CG2 3.88Å
28	A	98.3	Very high	96.5	Very high	26 Å²	26	51.2 Å²	51.2	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	129.3	169.3	0	0	0	0	0	110.1	I16 L17 R25 Y30	I16-A28 WeakPolarHBondContact O-CA 3.43Å; L17-A28 HydrophobicContact CD2-CB 3.64Å; R25-A28 HydrophobicContact CG-CB 3.93Å; A28-Y30 HydrophobicContact CB-CD2 4.44Å; A28-Y30 HydrophobicContact CB-CE2 3.97Å
29	K	98.1	Very high	96.5	Very high	51 Å²	51	59.8 Å²	59.8	22%	0.222	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.5	172	-169.3	169	178	-164.1	0	108.2	A15 I16 F27 Y31 V125 D126	A15-K29 CarbonylContact C-O 3.45Å; A15-K29 WeakPolarHBondContact CA-O 3.12Å; A15-K29 WeakPolarHBondContact CB-O 3.31Å; I16-K29 PolarHBondContact N-O 2.9Å; I16-K29 PolarHBondContact O-N 2.92Å; F27-K29 HydrophobicContact CE1-CB 3.82Å; F27-K29 HydrophobicContact CZ-CB 3.71Å; F27-K29 HydrophobicContact CZ-CD 4.31Å; K29-Y31 HydrophobicContact CD-CE1 3.89Å; K29-Y31 WeakPolarHBondContact CD-OH 3.47Å; K29-Y31 VanDerWaalsContact CE-CE1 3.47Å; K29-Y31 HydrophobicContact CG-CE1 3.97Å; K29-Y31 HydrophobicContact CG-CE2 4.43Å; K29-V125 HydrophobicContact CD-CG1 3.92Å; K29-D126 IonicContact NZ-OD1 2.63Å; K29-D126 PolarHBondContact NZ-OD1 2.93Å
30	Y	98	Very high	96.4	Very high	39 Å²	39	64.1 Å²	64.1	15%	0.153	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.2	175.5	-69.7	-99.4	0	0	0	108.1	K14 A15 L17 A28 Y35 Q41 F44 E45	K14-Y30 WeakPolarHBondContact O-CA 3.26Å; A15-Y30 HydrophobicContact CB-CD1 3.58Å; A15-Y30 HydrophobicContact CB-CE1 3.81Å; A15-Y30 HydrophobicContact CB-CG 4.02Å; L17-Y30 HydrophobicContact CD2-CE2 3.8Å; A28-Y30 HydrophobicContact CB-CD2 4.44Å; A28-Y30 HydrophobicContact CB-CE2 3.97Å; Y30-Y35 HydrophobicContact CD1-CD2 4.27Å; Y30-Y35 AromaticContact CE1-CD2 3.78Å; Y30-Y35 HydrophobicContact CE1-CD2 3.78Å; Y30-Y35 HydrophobicContact CE1-CG 4.35Å; Y30-Q41 HydrophobicContact CD1-CG 4.37Å; Y30-Q41 VanDerWaalsContact CD2-CD 3.46Å; Y30-Q41 HydrophobicContact CD2-CG 3.9Å; Y30-Q41 HydrophobicContact CE1-CG 4.04Å; Y30-Q41 HydrophobicContact CE2-CB 3.72Å; Y30-Q41 VanDerWaalsContact CE2-CD 3.47Å; Y30-Q41 HydrophobicContact CE2-CG 3.51Å; Y30-Q41 HydrophobicContact CG-CG 4.32Å; Y30-Q41 PolarHBondContact OH-O 3.04Å; Y30-F44 HydrophobicContact CE1-CD1 4.32Å; Y30-F44 HydrophobicContact CE1-CE1 4.48Å; Y30-E45 PolarHBondContact OH-OE1 3.04Å
31	Y	97.2	Very high	96.4	Very high	36 Å²	36	65.1 Å²	65.1	14%	0.141	34%	0.338	C	S	.	.			trans	-103.5	-5.2	-175	-63.6	-74.3	0	0	0	113.3	V13 K14 I16 K29 V129	V13-Y31 HydrophobicContact CB-CD2 4.38Å; V13-Y31 HydrophobicContact CG1-CD2 3.92Å; V13-Y31 HydrophobicContact CG1-CE2 3.85Å; V13-Y31 WeakPolarHBondContact O-CB 3.46Å; V13-Y31 WeakPolarHBondContact O-CD2 3.43Å; K14-Y31 PolarHBondContact O-N 3.46Å; I16-Y31 HydrophobicContact CD1-CE2 4.15Å; I16-Y31 HydrophobicContact CG1-CE2 4.15Å; K29-Y31 HydrophobicContact CD-CE1 3.89Å; K29-Y31 WeakPolarHBondContact CD-OH 3.47Å; K29-Y31 VanDerWaalsContact CE-CE1 3.47Å; K29-Y31 HydrophobicContact CG-CE1 3.97Å; K29-Y31 HydrophobicContact CG-CE2 4.43Å; Y31-V129 HydrophobicContact CD1-CG1 4.46Å; Y31-V129 HydrophobicContact CD2-CG1 4.19Å; Y31-V129 HydrophobicContact CE1-CG1 3.89Å; Y31-V129 HydrophobicContact CE2-CB 4.25Å; Y31-V129 HydrophobicContact CE2-CG1 3.6Å; Y31-V129 VanDerWaalsContact CZ-CG1 3.44Å; Y31-V129 WeakPolarHBondContact OH-CB 3.45Å; Y31-V129 PolarHBondContact OH-O 3.24Å
32	D	93.4	Very high	96.5	Very high	52 Å²	52	67 Å²	67	28%	0.278	34%	0.342	S	S	.	.	S	Bend	trans	-142.5	177.1	175.9	70.5	22.8	0	0	0	112.4	K14 T34	K14-D32 WeakPolarHBondContact CG-OD2 3.18Å; K14-D32 IonicContact NZ-OD2 2.88Å; K14-D32 PolarHBondContact NZ-OD2 2.96Å; D32-T34 VanDerWaalsContact C-N 3.27Å; D32-T34 PolarHBondContact O-N 2.85Å; D32-T34 WeakPolarHBondContact OD1-CB 3.04Å; D32-T34 PolarHBondContact OD1-N 2.83Å; D32-T34 PolarHBondContact OD1-OG1 3.49Å; D32-T34 PolarHBondContact OD2-OG1 3.31Å; D32-T34 VanDerWaalsContact OD2-OG1 3.1Å
33	D	92.6	Very high	96.5	Very high	144 Å²	144	65 Å²	65	77%	0.77	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	21.6	-177.7	-61.3	-46.8	0	0	0	113.4	Y35 P36	D33-Y35 PolarHBondContact O-N 3Å; D33-P36 WeakPolarHBondContact O-CD 3.39Å
34	T	91.7	Very high	96.6	Very high	59 Å²	59	65 Å²	65	36%	0.362	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-36.1	176.9	-54	0	0	0	0	110.9	K14 D32	K14-T34 PolarHBondContact NZ-OG1 2.92Å; D32-T34 VanDerWaalsContact C-N 3.27Å; D32-T34 PolarHBondContact O-N 2.85Å; D32-T34 WeakPolarHBondContact OD1-CB 3.04Å; D32-T34 PolarHBondContact OD1-N 2.83Å; D32-T34 PolarHBondContact OD1-OG1 3.49Å; D32-T34 PolarHBondContact OD2-OG1 3.31Å; D32-T34 VanDerWaalsContact OD2-OG1 3.1Å
35	Y	94.3	Very high	96.6	Very high	29 Å²	29	60.6 Å²	60.6	11%	0.114	32%	0.316	C	S	.	.	S	Bend	trans	-129.5	82.3	175.1	-60.3	-76.4	0	0	0	109.7	Y30 D33 S37 E40 Q41 F44 E63 L65	Y30-Y35 HydrophobicContact CD1-CD2 4.27Å; Y30-Y35 AromaticContact CE1-CD2 3.78Å; Y30-Y35 HydrophobicContact CE1-CD2 3.78Å; Y30-Y35 HydrophobicContact CE1-CG 4.35Å; D33-Y35 PolarHBondContact O-N 3Å; Y35-S37 PolarHBondContact O-N 3.38Å; Y35-E40 HydrophobicContact CD1-CB 4.18Å; Y35-Q41 VanDerWaalsContact O-CG 3.31Å; Y35-Q41 WeakPolarHBondContact O-CG 3.47Å; Y35-Q41 PolarHBondContact O-NE2 3.45Å; Y35-F44 HydrophobicContact CD1-CB 4.22Å; Y35-F44 HydrophobicContact CD2-CD1 4.18Å; Y35-F44 HydrophobicContact CD2-CE1 4.41Å; Y35-F44 HydrophobicContact CD2-CG 4.34Å; Y35-F44 HydrophobicContact CE1-CB 3.89Å; Y35-F44 HydrophobicContact CE1-CD2 4.08Å; Y35-F44 HydrophobicContact CE1-CG 4.03Å; Y35-F44 HydrophobicContact CE2-CB 4.37Å; Y35-F44 AromaticContact CE2-CD1 3.8Å; Y35-F44 HydrophobicContact CE2-CD1 3.8Å; Y35-F44 AromaticContact CE2-CD2 3.85Å; Y35-F44 HydrophobicContact CE2-CD2 3.85Å; Y35-F44 AromaticContact CE2-CE1 3.83Å; Y35-F44 HydrophobicContact CE2-CE1 3.83Å; Y35-F44 AromaticContact CE2-CE2 3.9Å; Y35-F44 HydrophobicContact CE2-CE2 3.9Å; Y35-F44 AromaticContact CE2-CG 3.75Å; Y35-F44 HydrophobicContact CE2-CG 3.75Å; Y35-F44 AromaticContact CE2-CZ 3.84Å; Y35-F44 HydrophobicContact CE2-CZ 3.84Å; Y35-F44 AromaticContact CZ-CD2 3.4Å; Y35-F44 VanDerWaalsContact CZ-CD2 3.4Å; Y35-F44 AromaticContact CZ-CE2 3.73Å; Y35-F44 AromaticContact CZ-CG 3.59Å; Y35-F44 WeakPolarHBondContact OH-CD2 3.44Å; Y35-F44 WeakPolarHBondContact OH-CE2 3.26Å; Y35-E63 PolarHBondContact OH-OE2 3.17Å; Y35-L65 HydrophobicContact CE2-CD1 3.8Å; Y35-L65 WeakPolarHBondContact OH-CD1 3.25Å
36	P	93.6	Very high	96.5	Very high	90 Å²	90	60.9 Å²	60.9	58%	0.584	32%	0.319	S	S	*	.			trans	-73	-26.8	-168.3	27.9	-34.7	0	0	0	113.2	D33 E40	D33-P36 WeakPolarHBondContact O-CD 3.39Å; P36-E40 VanDerWaalsContact CD-OE2 3.23Å; P36-E40 WeakPolarHBondContact CD-OE2 3.38Å; P36-E40 WeakPolarHBondContact CG-OE2 3.36Å
37	S	96.7	Very high	96.4	Very high	44 Å²	44	61.5 Å²	61.5	31%	0.308	32%	0.323	S	S	.	.	S	Bend	trans	-102.4	145.7	179.8	74.8	0	0	0	0	112.9	Y35 K39 E40 Q41	Y35-S37 PolarHBondContact O-N 3.38Å; S37-K39 PolarHBondContact O-N 2.91Å; S37-K39 VanDerWaalsContact O-N 3.11Å; S37-E40 WeakPolarHBondContact CB-OE2 3.2Å; S37-E40 PolarHBondContact N-OE2 3.47Å; S37-E40 VanDerWaalsContact N-OE2 3.15Å; S37-E40 PolarHBondContact O-N 3.37Å; S37-E40 WeakPolarHBondContact OG-CB 3.32Å; S37-E40 VanDerWaalsContact OG-CG 3.24Å; S37-E40 WeakPolarHBondContact OG-CG 3.38Å; S37-E40 PolarHBondContact OG-N 3.15Å; S37-E40 PolarHBondContact OG-OE2 3.3Å; S37-Q41 WeakPolarHBondContact O-CG 3.26Å; S37-Q41 PolarHBondContact O-N 3.34Å
38	V	96.6	Very high	96.3	Very high	86 Å²	86	61.1 Å²	61.1	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-55.9	-31.4	173.5	179	0	0	0	0	111.8	K42	V38-K42 HydrophobicContact CG1-CD 4.36Å; V38-K42 HydrophobicContact CG1-CG 4.44Å; V38-K42 WeakPolarHBondContact O-CB 3.49Å; V38-K42 WeakPolarHBondContact O-CG 3.31Å; V38-K42 PolarHBondContact O-N 3.29Å
39	K	97.5	Very high	96.3	Very high	180 Å²	180	60.2 Å²	60.2	78%	0.783	31%	0.312	S	S	*	.	H	α-helix	trans	-65.5	-46	177.6	-175.3	-176.2	176.3	-173.2	0	111.6	S37 A43	S37-K39 PolarHBondContact O-N 2.91Å; S37-K39 VanDerWaalsContact O-N 3.11Å; K39-A43 WeakPolarHBondContact O-CB 3.4Å; K39-A43 PolarHBondContact O-N 3.4Å; K39-A43 VanDerWaalsContact O-N 3.12Å
40	E	96.7	Very high	96.2	Very high	91 Å²	91	62.2 Å²	62.2	43%	0.425	33%	0.325	S	S	.	.	H	α-helix	trans	-67.8	-42.6	178.1	-71.5	157.8	159.5	0	0	111.2	Y35 P36 S37 K42 A43 F44	Y35-E40 HydrophobicContact CD1-CB 4.18Å; P36-E40 VanDerWaalsContact CD-OE2 3.23Å; P36-E40 WeakPolarHBondContact CD-OE2 3.38Å; P36-E40 WeakPolarHBondContact CG-OE2 3.36Å; S37-E40 WeakPolarHBondContact CB-OE2 3.2Å; S37-E40 PolarHBondContact N-OE2 3.47Å; S37-E40 VanDerWaalsContact N-OE2 3.15Å; S37-E40 PolarHBondContact O-N 3.37Å; S37-E40 WeakPolarHBondContact OG-CB 3.32Å; S37-E40 VanDerWaalsContact OG-CG 3.24Å; S37-E40 WeakPolarHBondContact OG-CG 3.38Å; S37-E40 PolarHBondContact OG-N 3.15Å; S37-E40 PolarHBondContact OG-OE2 3.3Å; E40-K42 PolarHBondContact O-N 3.02Å; E40-A43 PolarHBondContact O-N 3.22Å; E40-F44 WeakPolarHBondContact O-CB 3.43Å; E40-F44 PolarHBondContact O-N 2.75Å
41	Q	98	Very high	96	Very high	27 Å²	27	64.9 Å²	64.9	13%	0.126	34%	0.337	C	S	.	.	H	α-helix	trans	-57.9	-48.2	176.1	-66.4	174.2	0.7	0	0	112	R25 Y30 Y35 S37 A43 F44 E45	R25-Q41 VanDerWaalsContact NH2-OE1 3.12Å; Y30-Q41 HydrophobicContact CD1-CG 4.37Å; Y30-Q41 VanDerWaalsContact CD2-CD 3.46Å; Y30-Q41 HydrophobicContact CD2-CG 3.9Å; Y30-Q41 HydrophobicContact CE1-CG 4.04Å; Y30-Q41 HydrophobicContact CE2-CB 3.72Å; Y30-Q41 VanDerWaalsContact CE2-CD 3.47Å; Y30-Q41 HydrophobicContact CE2-CG 3.51Å; Y30-Q41 HydrophobicContact CG-CG 4.32Å; Y30-Q41 PolarHBondContact OH-O 3.04Å; Y35-Q41 VanDerWaalsContact O-CG 3.31Å; Y35-Q41 WeakPolarHBondContact O-CG 3.47Å; Y35-Q41 PolarHBondContact O-NE2 3.45Å; S37-Q41 WeakPolarHBondContact O-CG 3.26Å; S37-Q41 PolarHBondContact O-N 3.34Å; Q41-A43 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 3.38Å; Q41-F44 WeakPolarHBondContact O-CB 3.34Å; Q41-F44 PolarHBondContact O-N 2.94Å; Q41-E45 WeakPolarHBondContact O-CB 3.23Å; Q41-E45 VanDerWaalsContact O-CG 3.29Å; Q41-E45 WeakPolarHBondContact O-CG 3.36Å; Q41-E45 PolarHBondContact O-N 2.87Å
42	K	97.8	Very high	95.9	Very high	122 Å²	122	63.3 Å²	63.3	53%	0.53	33%	0.332	S	S	.	.	H	α-helix	trans	-63.7	-36.6	177.3	-75.6	-171.7	175	-166.2	0	113	V38 E40 K46	V38-K42 HydrophobicContact CG1-CD 4.36Å; V38-K42 HydrophobicContact CG1-CG 4.44Å; V38-K42 WeakPolarHBondContact O-CB 3.49Å; V38-K42 WeakPolarHBondContact O-CG 3.31Å; V38-K42 PolarHBondContact O-N 3.29Å; E40-K42 PolarHBondContact O-N 3.02Å; K42-K46 PolarHBondContact O-N 3.3Å
43	A	97.1	Very high	95.9	Very high	65 Å²	65	63 Å²	63	54%	0.537	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-42.7	175.7	0	0	0	0	0	111.2	K39 E40 Q41 N47	K39-A43 WeakPolarHBondContact O-CB 3.4Å; K39-A43 PolarHBondContact O-N 3.4Å; K39-A43 VanDerWaalsContact O-N 3.12Å; E40-A43 PolarHBondContact O-N 3.22Å; Q41-A43 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 3.38Å; A43-N47 WeakPolarHBondContact O-CB 3.41Å; A43-N47 PolarHBondContact O-N 2.96Å
44	F	97.6	Very high	95.7	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-47.9	175.2	173.7	-112.7	0	0	0	112.5	L17 Y30 Y35 E40 Q41 K46 N47 I48 L65 I80	L17-F44 HydrophobicContact CD1-CE1 4.37Å; Y30-F44 HydrophobicContact CE1-CD1 4.32Å; Y30-F44 HydrophobicContact CE1-CE1 4.48Å; Y35-F44 HydrophobicContact CD1-CB 4.22Å; Y35-F44 HydrophobicContact CD2-CD1 4.18Å; Y35-F44 HydrophobicContact CD2-CE1 4.41Å; Y35-F44 HydrophobicContact CD2-CG 4.34Å; Y35-F44 HydrophobicContact CE1-CB 3.89Å; Y35-F44 HydrophobicContact CE1-CD2 4.08Å; Y35-F44 HydrophobicContact CE1-CG 4.03Å; Y35-F44 HydrophobicContact CE2-CB 4.37Å; Y35-F44 AromaticContact CE2-CD1 3.8Å; Y35-F44 HydrophobicContact CE2-CD1 3.8Å; Y35-F44 AromaticContact CE2-CD2 3.85Å; Y35-F44 HydrophobicContact CE2-CD2 3.85Å; Y35-F44 AromaticContact CE2-CE1 3.83Å; Y35-F44 HydrophobicContact CE2-CE1 3.83Å; Y35-F44 AromaticContact CE2-CE2 3.9Å; Y35-F44 HydrophobicContact CE2-CE2 3.9Å; Y35-F44 AromaticContact CE2-CG 3.75Å; Y35-F44 HydrophobicContact CE2-CG 3.75Å; Y35-F44 AromaticContact CE2-CZ 3.84Å; Y35-F44 HydrophobicContact CE2-CZ 3.84Å; Y35-F44 AromaticContact CZ-CD2 3.4Å; Y35-F44 VanDerWaalsContact CZ-CD2 3.4Å; Y35-F44 AromaticContact CZ-CE2 3.73Å; Y35-F44 AromaticContact CZ-CG 3.59Å; Y35-F44 WeakPolarHBondContact OH-CD2 3.44Å; Y35-F44 WeakPolarHBondContact OH-CE2 3.26Å; E40-F44 WeakPolarHBondContact O-CB 3.43Å; E40-F44 PolarHBondContact O-N 2.75Å; Q41-F44 WeakPolarHBondContact O-CB 3.34Å; Q41-F44 PolarHBondContact O-N 2.94Å; F44-K46 VanDerWaalsContact C-N 3.31Å; F44-K46 PolarHBondContact O-N 3.37Å; F44-N47 WeakPolarHBondContact O-CB 3.49Å; F44-N47 PolarHBondContact O-N 3.1Å; F44-I48 HydrophobicContact CD1-CD1 4.01Å; F44-I48 HydrophobicContact CD2-CD1 4.18Å; F44-I48 HydrophobicContact CD2-CG1 4.26Å; F44-I48 HydrophobicContact CE1-CD1 3.36Å; F44-I48 HydrophobicContact CE1-CG1 4.39Å; F44-I48 HydrophobicContact CE2-CD1 3.53Å; F44-I48 HydrophobicContact CE2-CG1 3.89Å; F44-I48 HydrophobicContact CG-CD1 4.42Å; F44-I48 HydrophobicContact CZ-CD1 3.12Å; F44-I48 HydrophobicContact CZ-CG1 4.02Å; F44-I48 PolarHBondContact O-N 3.42Å; F44-L65 HydrophobicContact CE2-CD1 3.81Å; F44-L65 HydrophobicContact CZ-CD1 3.66Å; F44-I80 HydrophobicContact CE1-CG1 4.3Å; F44-I80 HydrophobicContact CZ-CG1 4.3Å; F44-I80 HydrophobicContact CZ-CG2 4.25Å
45	E	98.1	Very high	95.4	Very high	5 Å²	5	66.5 Å²	66.5	2%	0.023	33%	0.331	C	S	.	.	H	α-helix	trans	-53.6	-47.7	175.6	-76.9	159.8	-163.4	0	0	111.5	L17 L19 R25 Y30 Q41 N47 I48 F49	L17-E45 HydrophobicContact CD1-CG 3.97Å; L17-E45 HydrophobicContact CD2-CG 4.32Å; L19-E45 HydrophobicContact CD1-CB 4.35Å; L19-E45 HydrophobicContact CD2-CB 4.29Å; L19-E45 HydrophobicContact CD2-CG 4.23Å; R25-E45 IonicContact CZ-OE1 3.55Å; R25-E45 IonicContact CZ-OE2 2.64Å; R25-E45 VanDerWaalsContact NE-CD 3.28Å; R25-E45 IonicContact NE-OE1 2.89Å; R25-E45 PolarHBondContact NE-OE1 3.19Å; R25-E45 IonicContact NE-OE2 3.94Å; R25-E45 PolarHBondContact NE-OE2 3.02Å; R25-E45 IonicContact NH2-OE1 3.37Å; R25-E45 PolarHBondContact NH2-OE1 3.18Å; R25-E45 IonicContact NH2-OE2 3.12Å; R25-E45 PolarHBondContact NH2-OE2 3.36Å; Y30-E45 PolarHBondContact OH-OE1 3.04Å; Q41-E45 WeakPolarHBondContact O-CB 3.23Å; Q41-E45 VanDerWaalsContact O-CG 3.29Å; Q41-E45 WeakPolarHBondContact O-CG 3.36Å; Q41-E45 PolarHBondContact O-N 2.87Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 3.42Å; E45-I48 PolarHBondContact O-N 3.24Å; E45-F49 WeakPolarHBondContact O-CB 3.29Å; E45-F49 PolarHBondContact O-N 3.19Å
46	K	97.3	Very high	94.7	Very high	85 Å²	85	73.4 Å²	73.4	37%	0.37	37%	0.37	S	S	.	.	H	α-helix	trans	-65.2	-37.8	177.8	-162.9	70.3	-177.9	-175.1	0	112	D22 K42 F44 N50	D22-K46 PolarHBondContact O-NZ 3.47Å; K42-K46 PolarHBondContact O-N 3.3Å; F44-K46 VanDerWaalsContact C-N 3.31Å; F44-K46 PolarHBondContact O-N 3.37Å; K46-N50 WeakPolarHBondContact O-CB 3.27Å; K46-N50 PolarHBondContact O-N 2.82Å; K46-N50 PolarHBondContact O-ND2 3.44Å
47	N	96.4	Very high	94	Very high	47 Å²	47	72.6 Å²	72.6	25%	0.251	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-46.3	177.9	-168.3	23.9	0	0	0	111.9	A43 F44 E45 K51 E63	A43-N47 WeakPolarHBondContact O-CB 3.41Å; A43-N47 PolarHBondContact O-N 2.96Å; F44-N47 WeakPolarHBondContact O-CB 3.49Å; F44-N47 PolarHBondContact O-N 3.1Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 3.42Å; N47-K51 PolarHBondContact ND2-NZ 2.79Å; N47-K51 WeakPolarHBondContact O-CG 3.33Å; N47-K51 PolarHBondContact O-N 3.03Å; N47-K51 WeakPolarHBondContact OD1-CE 3.35Å; N47-K51 PolarHBondContact OD1-NZ 3.48Å; N47-E63 PolarHBondContact ND2-OE1 2.9Å
48	I	96.3	Very high	93.6	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-58.2	-56	174.5	-72.9	-177.9	0	0	0	109.2	F44 E45 N50 K51 T52 L62 V67 Y78 I80	F44-I48 HydrophobicContact CD1-CD1 4.01Å; F44-I48 HydrophobicContact CD2-CD1 4.18Å; F44-I48 HydrophobicContact CD2-CG1 4.26Å; F44-I48 HydrophobicContact CE1-CD1 3.36Å; F44-I48 HydrophobicContact CE1-CG1 4.39Å; F44-I48 HydrophobicContact CE2-CD1 3.53Å; F44-I48 HydrophobicContact CE2-CG1 3.89Å; F44-I48 HydrophobicContact CG-CD1 4.42Å; F44-I48 HydrophobicContact CZ-CD1 3.12Å; F44-I48 HydrophobicContact CZ-CG1 4.02Å; F44-I48 PolarHBondContact O-N 3.42Å; E45-I48 PolarHBondContact O-N 3.24Å; I48-N50 VanDerWaalsContact C-N 3.3Å; I48-N50 PolarHBondContact O-N 3.03Å; I48-K51 WeakPolarHBondContact O-CA 3.41Å; I48-K51 PolarHBondContact O-N 3.37Å; I48-T52 HydrophobicContact CG2-CG2 4Å; I48-T52 WeakPolarHBondContact O-CG2 3.43Å; I48-T52 PolarHBondContact O-N 3.01Å; I48-T52 PolarHBondContact O-OG1 3.37Å; I48-L62 HydrophobicContact CB-CD1 4.45Å; I48-L62 HydrophobicContact CG1-CD1 3.95Å; I48-V67 HydrophobicContact CD1-CG1 4.11Å; I48-V67 HydrophobicContact CD1-CG2 3.87Å; I48-V67 HydrophobicContact CG2-CG1 4.14Å; I48-Y78 HydrophobicContact CG2-CD1 3.44Å; I48-Y78 VanDerWaalsContact CG2-CD1 3.44Å; I48-Y78 HydrophobicContact CG2-CE1 3.27Å; I48-Y78 HydrophobicContact CG2-CG 4.26Å; I48-I80 HydrophobicContact CD1-CG1 4.26Å
49	F	97.1	Very high	93.5	Very high	8 Å²	8	75 Å²	75	4%	0.035	37%	0.369	C	S	.	.	H	α-helix	trans	-52.8	-48.6	-177.1	-179.5	-96	0	0	0	112	L19 D20 N21 G23 E45 K51 T52 H53 Y76	L19-F49 HydrophobicContact CD1-CB 3.89Å; L19-F49 HydrophobicContact CD1-CD2 4.23Å; L19-F49 HydrophobicContact CD1-CG 4.45Å; D20-F49 WeakPolarHBondContact O-CE2 3.4Å; N21-F49 VanDerWaalsContact O-CZ 3.32Å; N21-F49 WeakPolarHBondContact O-CZ 3.33Å; G23-F49 VanDerWaalsContact CA-CD2 3.46Å; G23-F49 VanDerWaalsContact CA-CG 3.43Å; E45-F49 WeakPolarHBondContact O-CB 3.29Å; E45-F49 PolarHBondContact O-N 3.19Å; F49-K51 PolarHBondContact O-N 3.23Å; F49-K51 VanDerWaalsContact O-N 3.15Å; F49-T52 PolarHBondContact O-N 2.99Å; F49-H53 HydrophobicContact CD1-CB 4.38Å; F49-H53 HydrophobicContact CD2-CB 4.01Å; F49-H53 HydrophobicContact CE1-CB 4.04Å; F49-H53 AromaticContact CE1-CD2 3.98Å; F49-H53 AromaticContact CE1-CG 3.81Å; F49-H53 HydrophobicContact CE2-CB 3.64Å; F49-H53 HydrophobicContact CG-CB 4.36Å; F49-H53 HydrophobicContact CZ-CB 3.64Å; F49-H53 AromaticContact CZ-CD2 3.99Å; F49-H53 AromaticContact CZ-CG 3.83Å; F49-H53 WeakPolarHBondContact O-CB 3.34Å; F49-H53 PolarHBondContact O-N 2.78Å; F49-H53 PolarHBondContact O-ND1 3.42Å; F49-Y76 HydrophobicContact CD2-CG 4.44Å; F49-Y76 HydrophobicContact CE2-CD1 4.38Å; F49-Y76 AromaticContact CE2-CD2 3.82Å; F49-Y76 HydrophobicContact CE2-CD2 3.82Å; F49-Y76 HydrophobicContact CE2-CE1 4.43Å; F49-Y76 AromaticContact CE2-CE2 3.93Å; F49-Y76 HydrophobicContact CE2-CE2 3.93Å; F49-Y76 HydrophobicContact CE2-CG 4.08Å
50	N	95.8	Very high	93.4	Very high	92 Å²	92	67.5 Å²	67.5	49%	0.492	34%	0.341	S	S	.	.	H	α-helix	trans	-59.2	-29.7	179.4	-73.4	-20.9	0	0	0	113.3	K46 I48	K46-N50 WeakPolarHBondContact O-CB 3.27Å; K46-N50 PolarHBondContact O-N 2.82Å; K46-N50 PolarHBondContact O-ND2 3.44Å; I48-N50 VanDerWaalsContact C-N 3.3Å; I48-N50 PolarHBondContact O-N 3.03Å
51	K	94.7	Very high	93.3	Very high	95 Å²	95	69 Å²	69	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-88.2	-26.7	179.7	-69	179	-178.4	168.6	0	113.7	N47 I48 F49 L62	N47-K51 PolarHBondContact ND2-NZ 2.79Å; N47-K51 WeakPolarHBondContact O-CG 3.33Å; N47-K51 PolarHBondContact O-N 3.03Å; N47-K51 WeakPolarHBondContact OD1-CE 3.35Å; N47-K51 PolarHBondContact OD1-NZ 3.48Å; I48-K51 WeakPolarHBondContact O-CA 3.41Å; I48-K51 PolarHBondContact O-N 3.37Å; F49-K51 PolarHBondContact O-N 3.23Å; F49-K51 VanDerWaalsContact O-N 3.15Å; K51-L62 HydrophobicContact CB-CD1 4.31Å; K51-L62 HydrophobicContact CD-CD1 4.11Å; K51-L62 HydrophobicContact CD-CD2 3.45Å; K51-L62 VanDerWaalsContact CD-CD2 3.45Å; K51-L62 HydrophobicContact CD-CG 4.39Å
52	T	95	Very high	93.1	Very high	4 Å²	4	68.6 Å²	68.6	3%	0.025	35%	0.349	C	S	.	.	H	α-helix	trans	-108.4	-27.1	-169.9	56	0	0	0	0	114.5	I48 F49 R54 T55 L62 Y69 Y78	I48-T52 HydrophobicContact CG2-CG2 4Å; I48-T52 WeakPolarHBondContact O-CG2 3.43Å; I48-T52 PolarHBondContact O-N 3.01Å; I48-T52 PolarHBondContact O-OG1 3.37Å; F49-T52 PolarHBondContact O-N 2.99Å; T52-R54 PolarHBondContact O-N 2.81Å; T52-T55 WeakPolarHBondContact CA-OG1 3.38Å; T52-T55 PolarHBondContact O-N 3.47Å; T52-T55 PolarHBondContact O-OG1 3.24Å; T52-L62 HydrophobicContact CG2-CD1 4.33Å; T52-Y69 HydrophobicContact CG2-CD1 3.91Å; T52-Y69 HydrophobicContact CG2-CD2 4.3Å; T52-Y69 HydrophobicContact CG2-CE1 3.62Å; T52-Y69 HydrophobicContact CG2-CE2 4.01Å; T52-Y69 HydrophobicContact CG2-CG 4.24Å; T52-Y78 HydrophobicContact CG2-CE1 4.2Å; T52-Y78 VanDerWaalsContact OG1-CE1 3.3Å; T52-Y78 WeakPolarHBondContact OG1-CE1 3.48Å; T52-Y78 PolarHBondContact OG1-OH 3.13Å
53	H	92.1	Very high	92.8	Very high	46 Å²	46	67.8 Å²	67.8	21%	0.213	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.4	-170.6	76.1	-67.8	0	0	0	115.4	F49 Y76	F49-H53 HydrophobicContact CD1-CB 4.38Å; F49-H53 HydrophobicContact CD2-CB 4.01Å; F49-H53 HydrophobicContact CE1-CB 4.04Å; F49-H53 AromaticContact CE1-CD2 3.98Å; F49-H53 AromaticContact CE1-CG 3.81Å; F49-H53 HydrophobicContact CE2-CB 3.64Å; F49-H53 HydrophobicContact CG-CB 4.36Å; F49-H53 HydrophobicContact CZ-CB 3.64Å; F49-H53 AromaticContact CZ-CD2 3.99Å; F49-H53 AromaticContact CZ-CG 3.83Å; F49-H53 WeakPolarHBondContact O-CB 3.34Å; F49-H53 PolarHBondContact O-N 2.78Å; F49-H53 PolarHBondContact O-ND1 3.42Å; H53-Y76 HydrophobicContact CB-CD1 4.34Å; H53-Y76 HydrophobicContact CB-CE1 3.74Å
54	R	88.6	Confident	92.6	Very high	215 Å²	215	66.6 Å²	66.6	81%	0.811	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	11.7	179.7	-62.4	-178.3	-172.6	-173	-2	113.5	T52	T52-R54 PolarHBondContact O-N 2.81Å
55	T	86	Confident	92.6	Very high	60 Å²	60	67 Å²	67	37%	0.368	34%	0.344	S	S	.	.			trans	-112	135.7	-178.2	52.6	0	0	0	0	109.4	T52 S57 Y69	T52-T55 WeakPolarHBondContact CA-OG1 3.38Å; T52-T55 PolarHBondContact O-N 3.47Å; T52-T55 PolarHBondContact O-OG1 3.24Å; T55-S57 PolarHBondContact O-N 3.19Å; T55-Y69 PolarHBondContact OG1-OH 3.45Å
56	D	79.3	Confident	92.5	Very high	175 Å²	175	67 Å²	67	94%	0.936	34%	0.344	S	S	*	.			trans	-80.2	6.4	175.7	-63.4	-27.4	0	0	0	112.8
57	S	79.5	Confident	92.6	Very high	72 Å²	72	63 Å²	63	50%	0.503	33%	0.327	S	S	.	.			trans	-75.2	151.8	175.2	-61.3	0	0	0	0	110.5	T55 Y69	T55-S57 PolarHBondContact O-N 3.19Å; S57-Y69 WeakPolarHBondContact CB-OH 2.96Å; S57-Y69 WeakPolarHBondContact O-CE2 3.16Å; S57-Y69 PolarHBondContact O-OH 3.26Å
58	E	89	Confident	92.6	Very high	102 Å²	102	60.7 Å²	60.7	48%	0.477	32%	0.315	S	S	.	.	S	Bend	trans	-103.2	-7.2	175.1	-60.8	-175.5	158.1	0	0	112.4	V68 Y69 M91	E58-V68 CarbonylContact O-C 3.53Å; E58-V68 VanDerWaalsContact O-CA 3.26Å; E58-V68 WeakPolarHBondContact O-CA 3.37Å; E58-Y69 PolarHBondContact O-N 2.93Å; E58-M91 HydrophobicContact CB-CE 4.35Å; E58-M91 WeakPolarHBondContact OE2-CE 3.24Å
59	I	94.4	Very high	92.7	Very high	79 Å²	79	61.3 Å²	61.3	41%	0.405	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138.2	-172.4	-49.2	175.3	0	0	0	109.2	V67 V68 E87	I59-V67 CarbonylContact C-O 3.52Å; I59-V67 WeakPolarHBondContact CA-O 3.47Å; I59-V68 HydrophobicContact CG1-CG1 4.11Å; I59-V68 HydrophobicContact CG2-CG1 4.27Å; I59-E87 HydrophobicContact CD1-CB 4.02Å; I59-E87 HydrophobicContact CD1-CG 4.36Å; I59-E87 HydrophobicContact CG2-CG 3.99Å
60	A	95	Very high	92.7	Very high	23 Å²	23	63.4 Å²	63.4	19%	0.19	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	145	173.2	0	0	0	0	0	111.2	L62 V67 Y69	A60-L62 HydrophobicContact CB-CD1 4.24Å; A60-L62 HydrophobicContact CB-CD2 4.4Å; A60-L62 HydrophobicContact CB-CG 3.99Å; A60-V67 PolarHBondContact N-O 2.71Å; A60-V67 PolarHBondContact O-N 3.29Å; A60-Y69 HydrophobicContact CB-CE1 4.01Å
61	L	94.8	Very high	92.6	Very high	121 Å²	121	62.6 Å²	62.6	63%	0.634	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	108.5	169	-179.7	66.7	0	0	0	108.8	L65	L61-L65 WeakPolarHBondContact CA-O 3.48Å
62	L	93.4	Very high	92.6	Very high	19 Å²	19	59 Å²	59	10%	0.099	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.6	-174.5	-61	-179	0	0	0	110.1	I48 K51 T52 A60 G64 L65 V67	I48-L62 HydrophobicContact CB-CD1 4.45Å; I48-L62 HydrophobicContact CG1-CD1 3.95Å; K51-L62 HydrophobicContact CB-CD1 4.31Å; K51-L62 HydrophobicContact CD-CD1 4.11Å; K51-L62 HydrophobicContact CD-CD2 3.45Å; K51-L62 VanDerWaalsContact CD-CD2 3.45Å; K51-L62 HydrophobicContact CD-CG 4.39Å; T52-L62 HydrophobicContact CG2-CD1 4.33Å; A60-L62 HydrophobicContact CB-CD1 4.24Å; A60-L62 HydrophobicContact CB-CD2 4.4Å; A60-L62 HydrophobicContact CB-CG 3.99Å; L62-G64 PolarHBondContact O-N 2.86Å; L62-G64 VanDerWaalsContact O-N 3.11Å; L62-L65 PolarHBondContact N-O 2.8Å; L62-L65 WeakPolarHBondContact O-CA 3.4Å; L62-L65 VanDerWaalsContact O-CB 3.3Å; L62-L65 WeakPolarHBondContact O-CB 3.25Å; L62-L65 PolarHBondContact O-N 2.75Å; L62-V67 HydrophobicContact CB-CG2 4.24Å; L62-V67 HydrophobicContact CD1-CG2 4.36Å
63	E	91.4	Very high	92.6	Very high	105 Å²	105	64.3 Å²	64.3	49%	0.491	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	28.8	179.3	-59.4	-177.9	-168.6	0	0	114.1	Y35 N47 L65	Y35-E63 PolarHBondContact OH-OE2 3.17Å; N47-E63 PolarHBondContact ND2-OE1 2.9Å; E63-L65 VanDerWaalsContact C-N 3.25Å; E63-L65 PolarHBondContact O-N 2.83Å
64	G	93.6	Very high	92.8	Very high	41 Å²	41	64.3 Å²	64.3	42%	0.423	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	14.9	-175.3	0	0	0	0	0	114.1	L62 S83	L62-G64 PolarHBondContact O-N 2.86Å; L62-G64 VanDerWaalsContact O-N 3.11Å; G64-S83 WeakPolarHBondContact O-CB 3.2Å; G64-S83 PolarHBondContact O-N 3.41Å; G64-S83 PolarHBondContact O-OG 3.02Å
65	L	96.8	Very high	93.2	Very high	12 Å²	12	54 Å²	54	6%	0.063	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.3	175.9	-59.8	171.2	0	0	0	110.4	K14 Y35 F44 L61 L62 E63 I80 G81	K14-L65 HydrophobicContact CD-CD2 3.57Å; Y35-L65 HydrophobicContact CE2-CD1 3.8Å; Y35-L65 WeakPolarHBondContact OH-CD1 3.25Å; F44-L65 HydrophobicContact CE2-CD1 3.81Å; F44-L65 HydrophobicContact CZ-CD1 3.66Å; L61-L65 WeakPolarHBondContact CA-O 3.48Å; L62-L65 PolarHBondContact N-O 2.8Å; L62-L65 WeakPolarHBondContact O-CA 3.4Å; L62-L65 VanDerWaalsContact O-CB 3.3Å; L62-L65 WeakPolarHBondContact O-CB 3.25Å; L62-L65 PolarHBondContact O-N 2.75Å; E63-L65 VanDerWaalsContact C-N 3.25Å; E63-L65 PolarHBondContact O-N 2.83Å; L65-I80 HydrophobicContact CB-CG2 3.93Å; L65-I80 HydrophobicContact CD1-CG2 3.99Å; L65-I80 HydrophobicContact CD2-CG2 4.46Å; L65-I80 HydrophobicContact CG-CG2 4.36Å; L65-G81 WeakPolarHBondContact CA-O 3.38Å
66	T	96.9	Very high	93.8	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118.2	171.5	-64.6	0	0	0	0	108.1	I80 G81 S82 E87 L90	T66-I80 WeakPolarHBondContact O-CA 3.23Å; T66-G81 PolarHBondContact N-O 3.28Å; T66-G81 PolarHBondContact O-N 2.64Å; T66-S82 WeakPolarHBondContact CB-O 3.46Å; T66-S82 PolarHBondContact OG1-O 2.84Å; T66-S82 VanDerWaalsContact OG1-O 3.08Å; T66-E87 HydrophobicContact CG2-CG 3.72Å; T66-L90 HydrophobicContact CG2-CD1 3.61Å
67	V	97.7	Very high	94.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.3	-179.3	-178.2	0	0	0	0	108.1	I48 I59 A60 L62 Y69 Y78 I80	I48-V67 HydrophobicContact CD1-CG1 4.11Å; I48-V67 HydrophobicContact CD1-CG2 3.87Å; I48-V67 HydrophobicContact CG2-CG1 4.14Å; I59-V67 CarbonylContact C-O 3.52Å; I59-V67 WeakPolarHBondContact CA-O 3.47Å; A60-V67 PolarHBondContact N-O 2.71Å; A60-V67 PolarHBondContact O-N 3.29Å; L62-V67 HydrophobicContact CB-CG2 4.24Å; L62-V67 HydrophobicContact CD1-CG2 4.36Å; V67-Y69 HydrophobicContact CG1-CD1 4.32Å; V67-Y78 HydrophobicContact CG1-CD1 3.9Å; V67-I80 HydrophobicContact CG1-CG1 4.34Å; V67-I80 HydrophobicContact CG2-CG1 4.11Å; V67-I80 HydrophobicContact CG2-CG2 4.46Å
68	V	98	Very high	95.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141	169.2	-54.7	0	0	0	0	109.3	E58 I59 Y78 V79 L90 M91 L94	E58-V68 CarbonylContact O-C 3.53Å; E58-V68 VanDerWaalsContact O-CA 3.26Å; E58-V68 WeakPolarHBondContact O-CA 3.37Å; I59-V68 HydrophobicContact CG1-CG1 4.11Å; I59-V68 HydrophobicContact CG2-CG1 4.27Å; V68-Y78 WeakPolarHBondContact O-CA 3.49Å; V68-V79 HydrophobicContact CG2-CB 3.71Å; V68-V79 WeakPolarHBondContact CG2-O 3.46Å; V68-V79 PolarHBondContact N-O 2.99Å; V68-V79 PolarHBondContact O-N 3.34Å; V68-L90 HydrophobicContact CB-CB 4.47Å; V68-L90 HydrophobicContact CG1-CB 3.92Å; V68-L90 HydrophobicContact CG1-CD1 4.41Å; V68-L90 HydrophobicContact CG2-CB 3.63Å; V68-M91 HydrophobicContact CB-CG 4.2Å; V68-M91 HydrophobicContact CB-SD 3.68Å; V68-M91 HydrophobicContact CG1-CG 4.03Å; V68-M91 HydrophobicContact CG1-SD 4.14Å; V68-M91 HydrophobicContact CG2-SD 4.18Å; V68-L94 HydrophobicContact CB-CD2 4.4Å; V68-L94 HydrophobicContact CG2-CB 4.2Å; V68-L94 HydrophobicContact CG2-CD2 4.13Å
69	Y	97.8	Very high	96	Very high	13 Å²	13	35.9 Å²	35.9	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157.3	-171.6	62.3	-82.5	0	0	0	113.7	T52 T55 S57 E58 A60 V67 F77 Y78	T52-Y69 HydrophobicContact CG2-CD1 3.91Å; T52-Y69 HydrophobicContact CG2-CD2 4.3Å; T52-Y69 HydrophobicContact CG2-CE1 3.62Å; T52-Y69 HydrophobicContact CG2-CE2 4.01Å; T52-Y69 HydrophobicContact CG2-CG 4.24Å; T55-Y69 PolarHBondContact OG1-OH 3.45Å; S57-Y69 WeakPolarHBondContact CB-OH 2.96Å; S57-Y69 WeakPolarHBondContact O-CE2 3.16Å; S57-Y69 PolarHBondContact O-OH 3.26Å; E58-Y69 PolarHBondContact O-N 2.93Å; A60-Y69 HydrophobicContact CB-CE1 4.01Å; V67-Y69 HydrophobicContact CG1-CD1 4.32Å; Y69-F77 WeakPolarHBondContact CA-O 3.38Å; Y69-F77 VanDerWaalsContact CB-O 3.24Å; Y69-F77 WeakPolarHBondContact CB-O 3.42Å; Y69-Y78 HydrophobicContact CD2-CE1 4.38Å; Y69-Y78 HydrophobicContact CG-CD1 4.17Å; Y69-Y78 AromaticContact CG-CE1 3.96Å; Y69-Y78 HydrophobicContact CG-CE1 3.96Å
70	K	96.1	Very high	96.2	Very high	52 Å²	52	32.1 Å²	32.1	23%	0.226	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	145.3	177.9	173.8	171.9	-74.1	175.4	0	109.2	F77 L94 N95 F98	K70-F77 PolarHBondContact N-O 3Å; K70-F77 PolarHBondContact O-N 2.78Å; K70-L94 HydrophobicContact CB-CD2 4Å; K70-N95 PolarHBondContact NZ-OD1 3.21Å; K70-F98 HydrophobicContact CD-CD1 4.33Å; K70-F98 HydrophobicContact CD-CD2 4.33Å; K70-F98 HydrophobicContact CD-CG 4.18Å
71	S	94.7	Very high	96.3	Very high	76 Å²	76	31 Å²	31	53%	0.531	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	155.8	172.6	59.5	0	0	0	0	111.7	L75	S71-L75 CarbonylContact C-O 3.19Å; S71-L75 VanDerWaalsContact CA-O 3.24Å; S71-L75 WeakPolarHBondContact CA-O 3.21Å
72	S	94.6	Very high	96.3	Very high	20 Å²	20	26.2 Å²	26.2	14%	0.14	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	117.1	171.7	176.5	0	0	0	0	109.5	D74 L75 V109	S72-D74 PolarHBondContact O-N 3.44Å; S72-L75 PolarHBondContact N-O 2.83Å; S72-L75 WeakPolarHBondContact O-CB 3.19Å; S72-L75 PolarHBondContact O-N 3.36Å; S72-V109 PolarHBondContact OG-O 3.33Å
73	I	94.6	Very high	96.3	Very high	114 Å²	114	27.9 Å²	27.9	59%	0.585	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	-92.6	-179.9	-55.2	171.7	0	0	0	111.3	E110	I73-E110 HydrophobicContact CB-CB 4.22Å; I73-E110 HydrophobicContact CD1-CB 3.86Å; I73-E110 HydrophobicContact CG2-CB 4.1Å
74	D	96.3	Very high	96.4	Very high	46 Å²	46	31.1 Å²	31.1	25%	0.246	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	15.9	-178.3	61.7	-8.1	0	0	0	113	D20 N21 S72 E110 K111	D20-D74 CarbonylContact C-O 3.51Å; D20-D74 WeakPolarHBondContact CA-O 3.37Å; N21-D74 HydrophobicContact CB-CB 4.22Å; N21-D74 PolarHBondContact N-O 3.2Å; S72-D74 PolarHBondContact O-N 3.44Å; D74-E110 WeakPolarHBondContact OD1-CA 3.48Å; D74-K111 WeakPolarHBondContact OD1-CB 3.39Å; D74-K111 PolarHBondContact OD1-N 3.01Å; D74-K111 WeakPolarHBondContact OD2-CB 3.37Å
75	L	97.5	Very high	96.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.2	179	-67.5	175.7	0	0	0	112	I18 L26 S71 S72 F77 V109 E110 K111 L114	I18-L75 HydrophobicContact CG2-CD2 4.02Å; L26-L75 HydrophobicContact CD1-CD2 3.21Å; S71-L75 CarbonylContact C-O 3.19Å; S71-L75 VanDerWaalsContact CA-O 3.24Å; S71-L75 WeakPolarHBondContact CA-O 3.21Å; S72-L75 PolarHBondContact N-O 2.83Å; S72-L75 WeakPolarHBondContact O-CB 3.19Å; S72-L75 PolarHBondContact O-N 3.36Å; L75-F77 HydrophobicContact CB-CD2 4.44Å; L75-F77 HydrophobicContact CB-CE2 3.72Å; L75-F77 HydrophobicContact CB-CZ 4.24Å; L75-F77 HydrophobicContact CD1-CE2 4.23Å; L75-F77 HydrophobicContact CD1-CZ 4.01Å; L75-V109 HydrophobicContact CD1-CG1 3.98Å; L75-E110 VanDerWaalsContact CD1-C 3.49Å; L75-K111 HydrophobicContact CD2-CB 4.07Å; L75-K111 HydrophobicContact CG-CB 4.49Å; L75-L114 HydrophobicContact CD1-CB 4.12Å; L75-L114 HydrophobicContact CD1-CD2 3.86Å; L75-L114 HydrophobicContact CD2-CD2 3.96Å
76	Y	97.7	Very high	96.2	Very high	26 Å²	26	33.7 Å²	33.7	10%	0.102	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	116.6	176.1	-63.9	-102.2	0	0	0	109.8	I18 L19 N21 F49 H53 Y78	I18-Y76 WeakPolarHBondContact CA-O 3.31Å; L19-Y76 PolarHBondContact N-O 3.33Å; L19-Y76 PolarHBondContact O-N 2.97Å; N21-Y76 HydrophobicContact CB-CE2 4.23Å; N21-Y76 PolarHBondContact OD1-OH 3.41Å; F49-Y76 HydrophobicContact CD2-CG 4.44Å; F49-Y76 HydrophobicContact CE2-CD1 4.38Å; F49-Y76 AromaticContact CE2-CD2 3.82Å; F49-Y76 HydrophobicContact CE2-CD2 3.82Å; F49-Y76 HydrophobicContact CE2-CE1 4.43Å; F49-Y76 AromaticContact CE2-CE2 3.93Å; F49-Y76 HydrophobicContact CE2-CE2 3.93Å; F49-Y76 HydrophobicContact CE2-CG 4.08Å; H53-Y76 HydrophobicContact CB-CD1 4.34Å; H53-Y76 HydrophobicContact CB-CE1 3.74Å; Y76-Y78 VanDerWaalsContact CB-CE2 3.5Å; Y76-Y78 WeakPolarHBondContact O-CD2 3.38Å; Y76-Y78 WeakPolarHBondContact O-CE2 3.46Å
77	F	98.2	Very high	96.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.1	-178.1	-62.3	-98.2	0	0	0	109.9	I18 Y69 K70 L75 L94 L97 F98 L101 V109	I18-F77 HydrophobicContact CD1-CD1 3.81Å; I18-F77 HydrophobicContact CD1-CE1 3.57Å; I18-F77 HydrophobicContact CG1-CD1 3.75Å; I18-F77 HydrophobicContact CG1-CE1 3.98Å; I18-F77 HydrophobicContact CG2-CD1 4.38Å; I18-F77 HydrophobicContact CG2-CE1 4.22Å; I18-F77 HydrophobicContact CG2-CZ 4.49Å; Y69-F77 WeakPolarHBondContact CA-O 3.38Å; Y69-F77 VanDerWaalsContact CB-O 3.24Å; Y69-F77 WeakPolarHBondContact CB-O 3.42Å; K70-F77 PolarHBondContact N-O 3Å; K70-F77 PolarHBondContact O-N 2.78Å; L75-F77 HydrophobicContact CB-CD2 4.44Å; L75-F77 HydrophobicContact CB-CE2 3.72Å; L75-F77 HydrophobicContact CB-CZ 4.24Å; L75-F77 HydrophobicContact CD1-CE2 4.23Å; L75-F77 HydrophobicContact CD1-CZ 4.01Å; F77-L94 HydrophobicContact CB-CD1 3.59Å; F77-L97 HydrophobicContact CD1-CD2 4.26Å; F77-F98 HydrophobicContact CD2-CD2 4.13Å; F77-F98 AromaticContact CE2-CD2 3.89Å; F77-F98 HydrophobicContact CE2-CD2 3.89Å; F77-F98 HydrophobicContact CE2-CE2 4.08Å; F77-F98 HydrophobicContact CZ-CD2 4.19Å; F77-L101 HydrophobicContact CE1-CD1 3.63Å; F77-L101 HydrophobicContact CZ-CD1 4.26Å; F77-V109 HydrophobicContact CE2-CG1 4.03Å; F77-V109 HydrophobicContact CZ-CG1 3.68Å
78	Y	98.4	Very high	96	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138	179.1	-56	-91.3	0	0	0	110.7	I16 L17 L19 I48 T52 V67 V68 Y69 Y76	I16-Y78 WeakPolarHBondContact CA-O 3.44Å; L17-Y78 HydrophobicContact CB-CD2 4.2Å; L17-Y78 PolarHBondContact N-O 2.9Å; L17-Y78 PolarHBondContact O-N 3.48Å; L19-Y78 HydrophobicContact CB-CE2 4.35Å; L19-Y78 HydrophobicContact CD1-CD2 4.35Å; L19-Y78 HydrophobicContact CD1-CE2 3.79Å; L19-Y78 HydrophobicContact CG-CD2 4.28Å; L19-Y78 HydrophobicContact CG-CE2 3.95Å; I48-Y78 HydrophobicContact CG2-CD1 3.44Å; I48-Y78 VanDerWaalsContact CG2-CD1 3.44Å; I48-Y78 HydrophobicContact CG2-CE1 3.27Å; I48-Y78 HydrophobicContact CG2-CG 4.26Å; T52-Y78 HydrophobicContact CG2-CE1 4.2Å; T52-Y78 VanDerWaalsContact OG1-CE1 3.3Å; T52-Y78 WeakPolarHBondContact OG1-CE1 3.48Å; T52-Y78 PolarHBondContact OG1-OH 3.13Å; V67-Y78 HydrophobicContact CG1-CD1 3.9Å; V68-Y78 WeakPolarHBondContact O-CA 3.49Å; Y69-Y78 HydrophobicContact CD2-CE1 4.38Å; Y69-Y78 HydrophobicContact CG-CD1 4.17Å; Y69-Y78 AromaticContact CG-CE1 3.96Å; Y69-Y78 HydrophobicContact CG-CE1 3.96Å; Y76-Y78 VanDerWaalsContact CB-CE2 3.5Å; Y76-Y78 WeakPolarHBondContact O-CD2 3.38Å; Y76-Y78 WeakPolarHBondContact O-CE2 3.46Å
79	V	98.5	Very high	95.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.9	165.2	-178	0	0	0	0	107.7	V13 I16 V68 L90 V93 L94	V13-V79 HydrophobicContact CG1-CG1 3.96Å; V13-V79 HydrophobicContact CG2-CG1 4.33Å; I16-V79 HydrophobicContact CG1-CG2 4.36Å; V68-V79 HydrophobicContact CG2-CB 3.71Å; V68-V79 WeakPolarHBondContact CG2-O 3.46Å; V68-V79 PolarHBondContact N-O 2.99Å; V68-V79 PolarHBondContact O-N 3.34Å; V79-L90 HydrophobicContact CG1-CB 4.28Å; V79-L90 HydrophobicContact CG1-CD2 4.08Å; V79-V93 HydrophobicContact CG1-CB 4.25Å; V79-V93 HydrophobicContact CG1-CG1 4.06Å; V79-V93 HydrophobicContact CG2-CB 4.43Å; V79-V93 HydrophobicContact CG2-CG1 3.99Å; V79-L94 HydrophobicContact CB-CB 4.48Å; V79-L94 HydrophobicContact CG2-CB 3.79Å; V79-L94 HydrophobicContact CG2-CD1 4.02Å
80	I	98.2	Very high	95.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131	-172.4	-60.6	92.8	0	0	0	109.1	K14 A15 L17 F44 I48 L65 T66 V67	K14-I80 HydrophobicContact CB-CG2 4.41Å; K14-I80 PolarHBondContact N-O 2.95Å; A15-I80 HydrophobicContact CB-CB 4.31Å; A15-I80 HydrophobicContact CB-CD1 4.02Å; A15-I80 PolarHBondContact N-O 3.5Å; A15-I80 PolarHBondContact O-N 3.23Å; L17-I80 HydrophobicContact CD1-CD1 3.55Å; L17-I80 HydrophobicContact CG-CD1 3.7Å; F44-I80 HydrophobicContact CE1-CG1 4.3Å; F44-I80 HydrophobicContact CZ-CG1 4.3Å; F44-I80 HydrophobicContact CZ-CG2 4.25Å; I48-I80 HydrophobicContact CD1-CG1 4.26Å; L65-I80 HydrophobicContact CB-CG2 3.93Å; L65-I80 HydrophobicContact CD1-CG2 3.99Å; L65-I80 HydrophobicContact CD2-CG2 4.46Å; L65-I80 HydrophobicContact CG-CG2 4.36Å; T66-I80 WeakPolarHBondContact O-CA 3.23Å; V67-I80 HydrophobicContact CG1-CG1 4.34Å; V67-I80 HydrophobicContact CG2-CG1 4.11Å; V67-I80 HydrophobicContact CG2-CG2 4.46Å
81	G	97.4	Very high	96	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	175.7	171.4	0	0	0	0	0	112	L65 T66	L65-G81 WeakPolarHBondContact CA-O 3.38Å; T66-G81 PolarHBondContact N-O 3.28Å; T66-G81 PolarHBondContact O-N 2.64Å
82	S	95.1	Very high	96.1	Very high	19 Å²	19	44 Å²	44	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	162.9	168.7	88.3	0	0	0	0	111.4	T66 Y84 E85	T66-S82 WeakPolarHBondContact CB-O 3.46Å; T66-S82 PolarHBondContact OG1-O 2.84Å; T66-S82 VanDerWaalsContact OG1-O 3.08Å; S82-Y84 PolarHBondContact O-N 3.48Å; S82-Y84 VanDerWaalsContact O-N 3.12Å; S82-Y84 PolarHBondContact OG-N 3.02Å; S82-E85 VanDerWaalsContact N-CG 3.3Å; S82-E85 PolarHBondContact O-N 3.43Å; S82-E85 VanDerWaalsContact O-N 3.14Å; S82-E85 WeakPolarHBondContact OG-CG 3.33Å; S82-E85 PolarHBondContact OG-N 2.95Å; S82-E85 PolarHBondContact OG-OE1 3.22Å
83	S	93.8	Very high	96.3	Very high	54 Å²	54	43 Å²	43	38%	0.378	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.8	174.9	31.6	0	0	0	0	114.4	G64	G64-S83 WeakPolarHBondContact O-CB 3.2Å; G64-S83 PolarHBondContact O-N 3.41Å; G64-S83 PolarHBondContact O-OG 3.02Å
84	Y	92	Very high	96.5	Very high	173 Å²	173	37.6 Å²	37.6	68%	0.678	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	-5.2	177.9	-53.8	-76.2	0	0	0	112.7	L6 S82	L6-Y84 HydrophobicContact CD2-CG 4.38Å; S82-Y84 PolarHBondContact O-N 3.48Å; S82-Y84 VanDerWaalsContact O-N 3.12Å; S82-Y84 PolarHBondContact OG-N 3.02Å
85	E	93	Very high	96.6	Very high	32 Å²	32	37.7 Å²	37.7	15%	0.15	19%	0.193	C	C	.	.	S	Bend	trans	-71.5	146	178.5	-60.2	-48.9	139	0	0	111.4	T12 S82 E87 L90	T12-E85 HydrophobicContact CG2-CB 4.4Å; T12-E85 HydrophobicContact CG2-CG 4.27Å; T12-E85 WeakPolarHBondContact CG2-OE2 3.39Å; T12-E85 WeakPolarHBondContact O-CG 3.47Å; S82-E85 VanDerWaalsContact N-CG 3.3Å; S82-E85 PolarHBondContact O-N 3.43Å; S82-E85 VanDerWaalsContact O-N 3.14Å; S82-E85 WeakPolarHBondContact OG-CG 3.33Å; S82-E85 PolarHBondContact OG-N 2.95Å; S82-E85 PolarHBondContact OG-OE1 3.22Å; E85-E87 PolarHBondContact O-N 3.45Å; E85-L90 HydrophobicContact CB-CD1 4.21Å; E85-L90 HydrophobicContact CB-CG 4.46Å
86	N	93	Very high	96.6	Very high	75 Å²	75	37.9 Å²	37.9	40%	0.401	19%	0.194	S	C	.	.			trans	-70.6	118.8	173.9	-170.1	-50.4	0	0	0	110.2	L88 M89 L90	N86-L88 PolarHBondContact O-N 3.22Å; N86-L88 WeakPolarHBondContact OD1-CA 3.38Å; N86-L88 WeakPolarHBondContact OD1-CB 3.45Å; N86-L88 PolarHBondContact OD1-N 3.38Å; N86-M89 HydrophobicContact CB-CB 4.44Å; N86-M89 HydrophobicContact CB-CG 4.07Å; N86-M89 HydrophobicContact CB-SD 4.1Å; N86-M89 WeakPolarHBondContact O-CB 3.19Å; N86-M89 PolarHBondContact O-N 2.89Å; N86-L90 PolarHBondContact O-N 2.95Å
87	E	95	Very high	96.7	Very high	81 Å²	81	36.7 Å²	36.7	38%	0.379	19%	0.19	S	C	.	.	H	α-helix	trans	-58.6	-33.1	-179.6	-59.8	80.1	174.5	0	0	112.2	I59 T66 E85 M89 L90 M91	I59-E87 HydrophobicContact CD1-CB 4.02Å; I59-E87 HydrophobicContact CD1-CG 4.36Å; I59-E87 HydrophobicContact CG2-CG 3.99Å; T66-E87 HydrophobicContact CG2-CG 3.72Å; E85-E87 PolarHBondContact O-N 3.45Å; E87-M89 VanDerWaalsContact C-N 3.31Å; E87-M89 PolarHBondContact O-N 3.47Å; E87-L90 PolarHBondContact O-N 3.49Å; E87-M91 WeakPolarHBondContact O-CB 3.48Å; E87-M91 WeakPolarHBondContact O-CG 3.26Å; E87-M91 PolarHBondContact O-N 2.97Å
88	L	95.7	Very high	96.7	Very high	135 Å²	135	38.3 Å²	38.3	71%	0.707	20%	0.197	S	C	*	.	H	α-helix	trans	-66.9	-33.6	178.4	-60	174.4	0	0	0	111.7	N86 A92	N86-L88 PolarHBondContact O-N 3.22Å; N86-L88 WeakPolarHBondContact OD1-CA 3.38Å; N86-L88 WeakPolarHBondContact OD1-CB 3.45Å; N86-L88 PolarHBondContact OD1-N 3.38Å; L88-A92 WeakPolarHBondContact O-CB 3.13Å; L88-A92 PolarHBondContact O-N 2.94Å
89	M	95.9	Very high	96.6	Very high	86 Å²	86	41.5 Å²	41.5	42%	0.424	21%	0.214	S	C	.	.	H	α-helix	trans	-68.5	-44.1	174.7	-68	179.3	62.9	0	0	110.8	T12 N86 E87 M91 A92 V93 I134	T12-M89 HydrophobicContact CG2-CB 4.34Å; T12-M89 HydrophobicContact CG2-CE 4.18Å; N86-M89 HydrophobicContact CB-CB 4.44Å; N86-M89 HydrophobicContact CB-CG 4.07Å; N86-M89 HydrophobicContact CB-SD 4.1Å; N86-M89 WeakPolarHBondContact O-CB 3.19Å; N86-M89 PolarHBondContact O-N 2.89Å; E87-M89 VanDerWaalsContact C-N 3.31Å; E87-M89 PolarHBondContact O-N 3.47Å; M89-M91 VanDerWaalsContact C-N 3.34Å; M89-M91 PolarHBondContact O-N 2.88Å; M89-A92 WeakPolarHBondContact O-CB 3.24Å; M89-A92 PolarHBondContact O-N 3.25Å; M89-V93 PolarHBondContact O-N 3.37Å; M89-I134 HydrophobicContact CB-CD1 4.35Å; M89-I134 HydrophobicContact CE-CD1 4.14Å
90	L	98.1	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-40.5	175.4	-57.8	176.9	0	0	0	111.3	T12 V13 T66 V68 V79 E85 N86 E87 A92 V93 L94	T12-L90 HydrophobicContact CG2-CD2 3.89Å; V13-L90 HydrophobicContact CG2-CD2 4.26Å; T66-L90 HydrophobicContact CG2-CD1 3.61Å; V68-L90 HydrophobicContact CB-CB 4.47Å; V68-L90 HydrophobicContact CG1-CB 3.92Å; V68-L90 HydrophobicContact CG1-CD1 4.41Å; V68-L90 HydrophobicContact CG2-CB 3.63Å; V79-L90 HydrophobicContact CG1-CB 4.28Å; V79-L90 HydrophobicContact CG1-CD2 4.08Å; E85-L90 HydrophobicContact CB-CD1 4.21Å; E85-L90 HydrophobicContact CB-CG 4.46Å; N86-L90 PolarHBondContact O-N 2.95Å; E87-L90 PolarHBondContact O-N 3.49Å; L90-A92 VanDerWaalsContact C-N 3.31Å; L90-A92 PolarHBondContact O-N 2.98Å; L90-V93 WeakPolarHBondContact O-CB 3.37Å; L90-V93 PolarHBondContact O-N 3.48Å; L90-L94 PolarHBondContact O-N 3.46Å
91	M	97.3	Very high	96.6	Very high	20 Å²	20	41.5 Å²	41.5	10%	0.099	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-35.2	174.9	-79.4	-61.7	-72.9	0	0	112.3	E58 V68 E87 M89 V93 L94 N95	E58-M91 HydrophobicContact CB-CE 4.35Å; E58-M91 WeakPolarHBondContact OE2-CE 3.24Å; V68-M91 HydrophobicContact CB-CG 4.2Å; V68-M91 HydrophobicContact CB-SD 3.68Å; V68-M91 HydrophobicContact CG1-CG 4.03Å; V68-M91 HydrophobicContact CG1-SD 4.14Å; V68-M91 HydrophobicContact CG2-SD 4.18Å; E87-M91 WeakPolarHBondContact O-CB 3.48Å; E87-M91 WeakPolarHBondContact O-CG 3.26Å; E87-M91 PolarHBondContact O-N 2.97Å; M89-M91 VanDerWaalsContact C-N 3.34Å; M89-M91 PolarHBondContact O-N 2.88Å; M91-V93 VanDerWaalsContact C-N 3.34Å; M91-L94 HydrophobicContact CE-CD2 4.5Å; M91-L94 PolarHBondContact O-N 2.94Å; M91-L94 HydrophobicContact SD-CD2 3.84Å; M91-N95 WeakPolarHBondContact O-CB 2.89Å; M91-N95 PolarHBondContact O-N 3.19Å; M91-N95 PolarHBondContact O-ND2 2.87Å; M91-N95 VanDerWaalsContact O-ND2 3.17Å
92	A	97.7	Very high	96.6	Very high	41 Å²	41	42.4 Å²	42.4	34%	0.339	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-42.8	174.4	0	0	0	0	0	111.3	L88 M89 L90 C96	L88-A92 WeakPolarHBondContact O-CB 3.13Å; L88-A92 PolarHBondContact O-N 2.94Å; M89-A92 WeakPolarHBondContact O-CB 3.24Å; M89-A92 PolarHBondContact O-N 3.25Å; L90-A92 VanDerWaalsContact C-N 3.31Å; L90-A92 PolarHBondContact O-N 2.98Å; A92-C96 WeakPolarHBondContact O-CB 3.33Å; A92-C96 PolarHBondContact O-N 2.82Å
93	V	98.5	Very high	96.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-48	174	176.5	0	0	0	0	111	V13 I16 V79 M89 L90 M91 N95 C96 L97 I128 V129 I134	V13-V93 HydrophobicContact CG2-CG2 4.15Å; I16-V93 HydrophobicContact CD1-CG1 4.18Å; V79-V93 HydrophobicContact CG1-CB 4.25Å; V79-V93 HydrophobicContact CG1-CG1 4.06Å; V79-V93 HydrophobicContact CG2-CB 4.43Å; V79-V93 HydrophobicContact CG2-CG1 3.99Å; M89-V93 PolarHBondContact O-N 3.37Å; L90-V93 WeakPolarHBondContact O-CB 3.37Å; L90-V93 PolarHBondContact O-N 3.48Å; M91-V93 VanDerWaalsContact C-N 3.34Å; V93-N95 PolarHBondContact O-N 3.29Å; V93-C96 PolarHBondContact O-N 3.46Å; V93-L97 WeakPolarHBondContact O-CB 3.34Å; V93-L97 PolarHBondContact O-N 3.43Å; V93-I128 HydrophobicContact CG1-CG2 3.86Å; V93-V129 HydrophobicContact CG1-CG2 3.78Å; V93-V129 HydrophobicContact CG2-CG2 4.43Å; V93-I134 HydrophobicContact CG2-CB 4.47Å; V93-I134 HydrophobicContact CG2-CD1 3.49Å; V93-I134 VanDerWaalsContact CG2-CD1 3.49Å; V93-I134 HydrophobicContact CG2-CG1 3.6Å; V93-I134 HydrophobicContact CG2-CG2 4.06Å
94	L	98.5	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-47.2	-179.6	179.5	68.3	0	0	0	111.8	V68 K70 F77 V79 L90 M91 L97 F98	V68-L94 HydrophobicContact CB-CD2 4.4Å; V68-L94 HydrophobicContact CG2-CB 4.2Å; V68-L94 HydrophobicContact CG2-CD2 4.13Å; K70-L94 HydrophobicContact CB-CD2 4Å; F77-L94 HydrophobicContact CB-CD1 3.59Å; V79-L94 HydrophobicContact CB-CB 4.48Å; V79-L94 HydrophobicContact CG2-CB 3.79Å; V79-L94 HydrophobicContact CG2-CD1 4.02Å; L90-L94 PolarHBondContact O-N 3.46Å; M91-L94 HydrophobicContact CE-CD2 4.5Å; M91-L94 PolarHBondContact O-N 2.94Å; M91-L94 HydrophobicContact SD-CD2 3.84Å; L94-L97 PolarHBondContact O-N 3.03Å; L94-F98 WeakPolarHBondContact O-CB 3.42Å; L94-F98 PolarHBondContact O-N 3.32Å
95	N	98.1	Very high	97	Very high	48 Å²	48	37.5 Å²	37.5	26%	0.257	20%	0.196	S	C	.	.	H	α-helix	trans	-68.6	-42.4	179.1	-71.6	-35.9	0	0	0	111.4	K70 M91 V93 L97 F98 D99	K70-N95 PolarHBondContact NZ-OD1 3.21Å; M91-N95 WeakPolarHBondContact O-CB 2.89Å; M91-N95 PolarHBondContact O-N 3.19Å; M91-N95 PolarHBondContact O-ND2 2.87Å; M91-N95 VanDerWaalsContact O-ND2 3.17Å; V93-N95 PolarHBondContact O-N 3.29Å; N95-L97 VanDerWaalsContact C-N 3.31Å; N95-L97 PolarHBondContact O-N 3.22Å; N95-F98 PolarHBondContact O-N 2.93Å; N95-D99 VanDerWaalsContact O-CB 3.27Å; N95-D99 WeakPolarHBondContact O-CB 3.37Å; N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 2.81Å
96	C	98.7	Very high	97.1	Very high	3 Å²	3	47 Å²	47	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-45	175.3	-177.3	0	0	0	0	111.4	A92 V93 S100 S137	A92-C96 WeakPolarHBondContact O-CB 3.33Å; A92-C96 PolarHBondContact O-N 2.82Å; V93-C96 PolarHBondContact O-N 3.46Å; C96-S100 WeakPolarHBondContact O-CB 3.26Å; C96-S100 PolarHBondContact O-N 3.04Å; C96-S100 PolarHBondContact O-OG 2.99Å; C96-S137 WeakPolarHBondContact CB-O 3.41Å; C96-S137 PolarHBondContact SG-O 3.39Å
97	L	98.6	Very high	97.1	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-51.8	175.5	176.8	61.5	0	0	0	111.5	I16 F77 V93 L94 N95 D99 S100 L101 L121 V125 I128	I16-L97 HydrophobicContact CG2-CD2 3.74Å; F77-L97 HydrophobicContact CD1-CD2 4.26Å; V93-L97 WeakPolarHBondContact O-CB 3.34Å; V93-L97 PolarHBondContact O-N 3.43Å; L94-L97 PolarHBondContact O-N 3.03Å; N95-L97 VanDerWaalsContact C-N 3.31Å; N95-L97 PolarHBondContact O-N 3.22Å; L97-D99 PolarHBondContact O-N 2.76Å; L97-S100 PolarHBondContact O-N 3.03Å; L97-L101 HydrophobicContact CD1-CD1 3.87Å; L97-L101 HydrophobicContact CD1-CG 4.23Å; L97-L101 HydrophobicContact CG-CD1 4.09Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 2.85Å; L97-L121 HydrophobicContact CD1-CD1 4.06Å; L97-V125 HydrophobicContact CD1-CG2 3.8Å; L97-I128 HydrophobicContact CB-CD1 3.98Å; L97-I128 HydrophobicContact CD1-CD1 4.16Å
98	F	98.1	Very high	97	Very high	34 Å²	34	51.9 Å²	51.9	15%	0.149	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-44	-177.8	-176.6	-95.7	0	0	0	112.5	K70 F77 L94 N95 L101 S102 V109	K70-F98 HydrophobicContact CD-CD1 4.33Å; K70-F98 HydrophobicContact CD-CD2 4.33Å; K70-F98 HydrophobicContact CD-CG 4.18Å; F77-F98 HydrophobicContact CD2-CD2 4.13Å; F77-F98 AromaticContact CE2-CD2 3.89Å; F77-F98 HydrophobicContact CE2-CD2 3.89Å; F77-F98 HydrophobicContact CE2-CE2 4.08Å; F77-F98 HydrophobicContact CZ-CD2 4.19Å; L94-F98 WeakPolarHBondContact O-CB 3.42Å; L94-F98 PolarHBondContact O-N 3.32Å; N95-F98 PolarHBondContact O-N 2.93Å; F98-L101 PolarHBondContact O-N 2.93Å; F98-S102 WeakPolarHBondContact CE1-OG 3.47Å; F98-S102 VanDerWaalsContact O-CB 3.29Å; F98-S102 WeakPolarHBondContact O-CB 3.1Å; F98-S102 PolarHBondContact O-N 3.05Å; F98-S102 PolarHBondContact O-OG 2.77Å; F98-V109 HydrophobicContact CD2-CG1 4.4Å; F98-V109 HydrophobicContact CE2-CB 4.16Å; F98-V109 HydrophobicContact CE2-CG1 3.85Å; F98-V109 HydrophobicContact CE2-CG2 4.38Å; F98-V109 HydrophobicContact CZ-CB 4.44Å; F98-V109 HydrophobicContact CZ-CG2 4.42Å
99	D	98.2	Very high	97.1	Very high	67 Å²	67	45.6 Å²	45.6	36%	0.358	22%	0.217	S	C	.	.	H	α-helix	trans	-72.9	-34.3	-178.2	-68.9	-22.6	0	0	0	111.7	N95 L97 S102 Q103 P139	N95-D99 VanDerWaalsContact O-CB 3.27Å; N95-D99 WeakPolarHBondContact O-CB 3.37Å; N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 2.81Å; L97-D99 PolarHBondContact O-N 2.76Å; D99-S102 PolarHBondContact O-N 3.29Å; D99-Q103 WeakPolarHBondContact O-CG 3.46Å; D99-Q103 PolarHBondContact O-N 2.85Å; D99-P139 HydrophobicContact CB-CB 3.79Å; D99-P139 HydrophobicContact CB-CG 3.84Å
100	S	98.3	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-49.7	172.2	-60.2	0	0	0	0	110.7	C96 L97 S102 Q103 M104 P139 V142	C96-S100 WeakPolarHBondContact O-CB 3.26Å; C96-S100 PolarHBondContact O-N 3.04Å; C96-S100 PolarHBondContact O-OG 2.99Å; L97-S100 PolarHBondContact O-N 3.03Å; S100-S102 VanDerWaalsContact C-N 3.32Å; S100-S102 PolarHBondContact O-N 2.9Å; S100-Q103 PolarHBondContact O-N 3.15Å; S100-M104 VanDerWaalsContact O-CG 3.26Å; S100-M104 WeakPolarHBondContact O-CG 3.4Å; S100-M104 PolarHBondContact O-N 3.12Å; S100-P139 VanDerWaalsContact OG-CA 3.31Å; S100-P139 WeakPolarHBondContact OG-CA 3.48Å; S100-P139 WeakPolarHBondContact OG-CB 3.44Å; S100-V142 WeakPolarHBondContact OG-CB 3.29Å
101	L	97.8	Very high	97.1	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-38.5	176.2	-68	172.3	0	0	0	111.7	I18 F77 L97 F98 Q103 M104 L105 L114 L121	I18-L101 HydrophobicContact CD1-CD1 4.48Å; F77-L101 HydrophobicContact CE1-CD1 3.63Å; F77-L101 HydrophobicContact CZ-CD1 4.26Å; L97-L101 HydrophobicContact CD1-CD1 3.87Å; L97-L101 HydrophobicContact CD1-CG 4.23Å; L97-L101 HydrophobicContact CG-CD1 4.09Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 2.85Å; F98-L101 PolarHBondContact O-N 2.93Å; L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 3.3Å; L101-M104 PolarHBondContact O-N 3.44Å; L101-L105 VanDerWaalsContact O-CB 3.23Å; L101-L105 WeakPolarHBondContact O-CB 3.36Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.37Å; L101-L105 PolarHBondContact O-N 3.19Å; L101-L114 HydrophobicContact CD1-CD1 4.07Å; L101-L114 HydrophobicContact CD2-CD1 4.04Å; L101-L121 HydrophobicContact CD1-CD1 3.93Å; L101-L121 HydrophobicContact CD2-CB 4.16Å; L101-L121 HydrophobicContact CD2-CD1 4.13Å
102	S	97.4	Very high	97.2	Very high	19 Å²	19	54.1 Å²	54.1	13%	0.133	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-39.3	175.3	-67.1	0	0	0	0	112	F98 D99 S100 R106 K107 V109	F98-S102 WeakPolarHBondContact CE1-OG 3.47Å; F98-S102 VanDerWaalsContact O-CB 3.29Å; F98-S102 WeakPolarHBondContact O-CB 3.1Å; F98-S102 PolarHBondContact O-N 3.05Å; F98-S102 PolarHBondContact O-OG 2.77Å; D99-S102 PolarHBondContact O-N 3.29Å; S100-S102 VanDerWaalsContact C-N 3.32Å; S100-S102 PolarHBondContact O-N 2.9Å; S102-R106 PolarHBondContact O-N 3.02Å; S102-K107 WeakPolarHBondContact O-CA 3.44Å; S102-K107 PolarHBondContact O-N 3.27Å; S102-V109 WeakPolarHBondContact OG-CG2 3.48Å
103	Q	97.1	Very high	97.2	Very high	89 Å²	89	52.9 Å²	52.9	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-67.9	-47.3	174.8	-71.9	176.6	63.5	0	0	111.5	D99 S100 L101 L105 R106 V143	D99-Q103 WeakPolarHBondContact O-CG 3.46Å; D99-Q103 PolarHBondContact O-N 2.85Å; S100-Q103 PolarHBondContact O-N 3.15Å; L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 3.3Å; Q103-L105 VanDerWaalsContact C-N 3.35Å; Q103-L105 PolarHBondContact O-N 3.02Å; Q103-R106 PolarHBondContact O-N 2.64Å; Q103-V143 HydrophobicContact CB-CG2 3.91Å
104	M	95.7	Very high	97.1	Very high	38 Å²	38	52.9 Å²	52.9	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-36.3	-178.2	-64.6	165.6	65.5	0	0	112.8	S100 L101 G120 A124 V143 V146	S100-M104 VanDerWaalsContact O-CG 3.26Å; S100-M104 WeakPolarHBondContact O-CG 3.4Å; S100-M104 PolarHBondContact O-N 3.12Å; L101-M104 PolarHBondContact O-N 3.44Å; M104-G120 VanDerWaalsContact CE-C 3.49Å; M104-G120 WeakPolarHBondContact CE-O 3.38Å; M104-A124 HydrophobicContact SD-CB 4.45Å; M104-V143 HydrophobicContact CG-CG1 4.43Å; M104-V143 HydrophobicContact CG-CG2 4.08Å; M104-V143 HydrophobicContact SD-CG2 4.42Å; M104-V146 HydrophobicContact CE-CG1 3.72Å; M104-V146 HydrophobicContact SD-CG1 4.43Å
105	L	96	Very high	97.1	Very high	16 Å²	16	57 Å²	57	8%	0.084	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	14	-179.4	-57.2	179	0	0	0	113	L101 Q103 K107 N108 V109 A113 L114 N117	L101-L105 VanDerWaalsContact O-CB 3.23Å; L101-L105 WeakPolarHBondContact O-CB 3.36Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.37Å; L101-L105 PolarHBondContact O-N 3.19Å; Q103-L105 VanDerWaalsContact C-N 3.35Å; Q103-L105 PolarHBondContact O-N 3.02Å; L105-K107 VanDerWaalsContact C-N 3.27Å; L105-K107 PolarHBondContact O-N 3.45Å; L105-N108 PolarHBondContact O-N 3.1Å; L105-V109 HydrophobicContact CD1-CG2 4.47Å; L105-A113 HydrophobicContact CD1-CB 4.45Å; L105-A113 HydrophobicContact CD2-CB 4.31Å; L105-A113 WeakPolarHBondContact CD2-O 3.35Å; L105-L114 HydrophobicContact CD1-CB 4.38Å; L105-L114 HydrophobicContact CD1-CD1 4.13Å; L105-N117 HydrophobicContact CD2-CB 3.71Å
106	R	94.6	Very high	97.1	Very high	230 Å²	230	61.2 Å²	61.2	87%	0.868	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	42.2	176.2	-53.9	178.9	-178.3	177.5	1.1	113.1	S102 Q103 N108	S102-R106 PolarHBondContact O-N 3.02Å; Q103-R106 PolarHBondContact O-N 2.64Å; R106-N108 PolarHBondContact O-N 3.45Å
107	K	93.8	Very high	96.9	Very high	193 Å²	193	63.5 Å²	63.5	84%	0.839	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	8.2	-178.1	-51	-179.9	178.9	-177.5	0	115.2	S102 L105	S102-K107 WeakPolarHBondContact O-CA 3.44Å; S102-K107 PolarHBondContact O-N 3.27Å; L105-K107 VanDerWaalsContact C-N 3.27Å; L105-K107 PolarHBondContact O-N 3.45Å
108	N	93.6	Very high	96.8	Very high	66 Å²	66	65.3 Å²	65.3	35%	0.353	30%	0.298	S	S	.	.			trans	-100.3	75.7	173.5	-169	36.8	0	0	0	110.6	L105 R106 E110 A113	L105-N108 PolarHBondContact O-N 3.1Å; R106-N108 PolarHBondContact O-N 3.45Å; N108-E110 PolarHBondContact ND2-OE1 3.41Å; N108-E110 PolarHBondContact O-N 2.91Å; N108-A113 WeakPolarHBondContact O-CB 3.42Å
109	V	96.3	Very high	96.7	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.018	33%	0.326	C	S	.	.			trans	-88.8	81.3	-179.5	-172.6	0	0	0	0	109.7	S72 L75 F77 F98 S102 L105	S72-V109 PolarHBondContact OG-O 3.33Å; L75-V109 HydrophobicContact CD1-CG1 3.98Å; F77-V109 HydrophobicContact CE2-CG1 4.03Å; F77-V109 HydrophobicContact CZ-CG1 3.68Å; F98-V109 HydrophobicContact CD2-CG1 4.4Å; F98-V109 HydrophobicContact CE2-CB 4.16Å; F98-V109 HydrophobicContact CE2-CG1 3.85Å; F98-V109 HydrophobicContact CE2-CG2 4.38Å; F98-V109 HydrophobicContact CZ-CB 4.44Å; F98-V109 HydrophobicContact CZ-CG2 4.42Å; S102-V109 WeakPolarHBondContact OG-CG2 3.48Å; L105-V109 HydrophobicContact CD1-CG2 4.47Å
110	E	97.4	Very high	96.6	Very high	54 Å²	54	68.2 Å²	68.2	25%	0.252	31%	0.311	S	S	.	.	S	Bend	trans	-129.2	162.3	175.2	66.4	-177.5	179.5	0	0	110.9	I73 D74 L75 N108 R112 A113 L114	I73-E110 HydrophobicContact CB-CB 4.22Å; I73-E110 HydrophobicContact CD1-CB 3.86Å; I73-E110 HydrophobicContact CG2-CB 4.1Å; D74-E110 WeakPolarHBondContact OD1-CA 3.48Å; L75-E110 VanDerWaalsContact CD1-C 3.49Å; N108-E110 PolarHBondContact ND2-OE1 3.41Å; N108-E110 PolarHBondContact O-N 2.91Å; E110-R112 VanDerWaalsContact C-N 3.29Å; E110-R112 PolarHBondContact O-N 3.43Å; E110-A113 HydrophobicContact CG-CB 4.03Å; E110-A113 PolarHBondContact O-N 3.23Å; E110-L114 WeakPolarHBondContact O-CB 3.29Å; E110-L114 PolarHBondContact O-N 3.39Å
111	K	98.3	Very high	96.6	Very high	59 Å²	59	68.2 Å²	68.2	26%	0.257	31%	0.311	S	S	.	.	H	α-helix	trans	-51.5	-45.7	-176.4	177.7	174	177.4	169.8	0	112.7	D20 L26 D74 L75 L114 L115	D20-K111 HydrophobicContact CB-CD 3.94Å; D20-K111 IonicContact OD2-NZ 3.02Å; D20-K111 PolarHBondContact OD2-NZ 3.28Å; L26-K111 HydrophobicContact CD1-CG 4.08Å; D74-K111 WeakPolarHBondContact OD1-CB 3.39Å; D74-K111 PolarHBondContact OD1-N 3.01Å; D74-K111 WeakPolarHBondContact OD2-CB 3.37Å; L75-K111 HydrophobicContact CD2-CB 4.07Å; L75-K111 HydrophobicContact CG-CB 4.49Å; K111-L114 PolarHBondContact O-N 3.43Å; K111-L115 HydrophobicContact CG-CD1 3.76Å; K111-L115 HydrophobicContact CG-CG 4.39Å; K111-L115 WeakPolarHBondContact O-CB 3.3Å; K111-L115 VanDerWaalsContact O-CG 3.23Å; K111-L115 WeakPolarHBondContact O-CG 3.36Å; K111-L115 PolarHBondContact O-N 3.5Å
112	R	97.8	Very high	96.6	Very high	173 Å²	173	73.1 Å²	73.1	65%	0.653	33%	0.332	S	S	*	.	H	α-helix	trans	-61.1	-52.8	-179.2	-178.4	179.4	175.5	171.7	-0.3	111.6	E110 L114 L115 E116	E110-R112 VanDerWaalsContact C-N 3.29Å; E110-R112 PolarHBondContact O-N 3.43Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-L114 PolarHBondContact O-N 2.83Å; R112-L115 PolarHBondContact O-N 3.38Å; R112-E116 WeakPolarHBondContact CG-OE1 3.45Å; R112-E116 IonicContact CZ-OE1 2.68Å; R112-E116 IonicContact NE-OE1 2.61Å; R112-E116 PolarHBondContact NE-OE1 3.44Å; R112-E116 IonicContact NH2-OE1 2.67Å; R112-E116 WeakPolarHBondContact O-CG 3.48Å; R112-E116 PolarHBondContact O-N 2.96Å
113	A	97.7	Very high	96.6	Very high	14 Å²	14	74.3 Å²	74.3	12%	0.116	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-37.7	-179.1	0	0	0	0	0	111.9	L105 N108 E110 E116 N117	L105-A113 HydrophobicContact CD1-CB 4.45Å; L105-A113 HydrophobicContact CD2-CB 4.31Å; L105-A113 WeakPolarHBondContact CD2-O 3.35Å; N108-A113 WeakPolarHBondContact O-CB 3.42Å; E110-A113 HydrophobicContact CG-CB 4.03Å; E110-A113 PolarHBondContact O-N 3.23Å; A113-E116 PolarHBondContact O-N 3.21Å; A113-N117 PolarHBondContact O-N 2.96Å
114	L	98.1	Very high	96.6	Very high	1 Å²	1	70 Å²	70	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-45.6	175.5	-171.5	72	0	0	0	111.8	I18 L26 L75 L101 L105 E110 K111 R112 E116 N117 M118 L121	I18-L114 HydrophobicContact CD1-CD2 4.23Å; I18-L114 HydrophobicContact CG2-CD2 3.92Å; L26-L114 HydrophobicContact CD1-CD2 4.48Å; L75-L114 HydrophobicContact CD1-CB 4.12Å; L75-L114 HydrophobicContact CD1-CD2 3.86Å; L75-L114 HydrophobicContact CD2-CD2 3.96Å; L101-L114 HydrophobicContact CD1-CD1 4.07Å; L101-L114 HydrophobicContact CD2-CD1 4.04Å; L105-L114 HydrophobicContact CD1-CB 4.38Å; L105-L114 HydrophobicContact CD1-CD1 4.13Å; E110-L114 WeakPolarHBondContact O-CB 3.29Å; E110-L114 PolarHBondContact O-N 3.39Å; K111-L114 PolarHBondContact O-N 3.43Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-L114 PolarHBondContact O-N 2.83Å; L114-E116 VanDerWaalsContact C-N 3.3Å; L114-E116 PolarHBondContact O-N 3.13Å; L114-N117 CarbonylContact O-C 3.57Å; L114-N117 PolarHBondContact O-N 2.99Å; L114-M118 PolarHBondContact O-N 3.13Å; L114-M118 VanDerWaalsContact O-N 3.13Å; L114-L121 HydrophobicContact CD1-CB 4.34Å; L114-L121 HydrophobicContact CD1-CD2 4.29Å; L114-L121 HydrophobicContact CD2-CD2 4.43Å; L114-L121 HydrophobicContact CG-CD2 4.46Å
115	L	97.9	Very high	96.8	Very high	85 Å²	85	68.3 Å²	68.3	45%	0.445	31%	0.308	S	S	.	.	H	α-helix	trans	-65.3	-33.8	179	-72.8	171.4	0	0	0	112.5	L26 K111 R112 N117 M118	L26-L115 HydrophobicContact CD2-CD2 4.42Å; K111-L115 HydrophobicContact CG-CD1 3.76Å; K111-L115 HydrophobicContact CG-CG 4.39Å; K111-L115 WeakPolarHBondContact O-CB 3.3Å; K111-L115 VanDerWaalsContact O-CG 3.23Å; K111-L115 WeakPolarHBondContact O-CG 3.36Å; K111-L115 PolarHBondContact O-N 3.5Å; R112-L115 PolarHBondContact O-N 3.38Å; L115-N117 PolarHBondContact O-N 3.08Å; L115-M118 HydrophobicContact CD2-CG 4.41Å; L115-M118 HydrophobicContact CD2-SD 4.19Å; L115-M118 WeakPolarHBondContact O-CG 3.39Å
116	E	96.7	Very high	96.8	Very high	137 Å²	137	70.9 Å²	70.9	64%	0.64	32%	0.322	S	S	*	.	H	α-helix	trans	-69.4	-17.7	173.1	-71.3	174.1	-171.3	0	0	112.6	R112 A113 L114	R112-E116 WeakPolarHBondContact CG-OE1 3.45Å; R112-E116 IonicContact CZ-OE1 2.68Å; R112-E116 IonicContact NE-OE1 2.61Å; R112-E116 PolarHBondContact NE-OE1 3.44Å; R112-E116 IonicContact NH2-OE1 2.67Å; R112-E116 WeakPolarHBondContact O-CG 3.48Å; R112-E116 PolarHBondContact O-N 2.96Å; A113-E116 PolarHBondContact O-N 3.21Å; L114-E116 VanDerWaalsContact C-N 3.3Å; L114-E116 PolarHBondContact O-N 3.13Å
117	N	95.3	Very high	97	Very high	52 Å²	52	60.7 Å²	60.7	28%	0.278	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	42.3	-178.6	-162.8	7.3	0	0	0	113.2	L105 A113 L114 L115 E119 G120 L121	L105-N117 HydrophobicContact CD2-CB 3.71Å; A113-N117 PolarHBondContact O-N 2.96Å; L114-N117 CarbonylContact O-C 3.57Å; L114-N117 PolarHBondContact O-N 2.99Å; L115-N117 PolarHBondContact O-N 3.08Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 PolarHBondContact O-N 3.3Å; N117-G120 PolarHBondContact O-N 2.93Å; N117-G120 PolarHBondContact OD1-N 3.29Å; N117-L121 PolarHBondContact O-N 2.9Å
118	M	96.8	Very high	97.2	Very high	39 Å²	39	51.5 Å²	51.5	19%	0.192	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-35.6	-179.5	-75.7	-65.4	-63.8	0	0	113.1	L114 L115 G120 L121 F122	L114-M118 PolarHBondContact O-N 3.13Å; L114-M118 VanDerWaalsContact O-N 3.13Å; L115-M118 HydrophobicContact CD2-CG 4.41Å; L115-M118 HydrophobicContact CD2-SD 4.19Å; L115-M118 WeakPolarHBondContact O-CG 3.39Å; M118-G120 VanDerWaalsContact C-N 3.26Å; M118-G120 PolarHBondContact O-N 2.87Å; M118-L121 HydrophobicContact CE-CD2 3.94Å; M118-L121 WeakPolarHBondContact O-CB 3.37Å; M118-L121 PolarHBondContact O-N 3.02Å; M118-L121 VanDerWaalsContact O-N 3.08Å; M118-L121 HydrophobicContact SD-CD2 3.96Å; M118-F122 HydrophobicContact CB-CE2 4.34Å; M118-F122 HydrophobicContact CE-CE2 3.81Å; M118-F122 HydrophobicContact CE-CZ 4.16Å; M118-F122 WeakPolarHBondContact O-CD2 3.49Å; M118-F122 PolarHBondContact O-N 2.9Å
119	E	95.7	Very high	97.4	Very high	159 Å²	159	48.3 Å²	48.3	74%	0.743	23%	0.228	S	C	*	.	H	α-helix	trans	-57.9	-43.2	176.3	-66.8	179.8	178.7	0	0	111.1	N117 L121 F122 L123	N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 PolarHBondContact O-N 3.3Å; E119-L121 VanDerWaalsContact C-N 3.33Å; E119-L121 PolarHBondContact O-N 2.95Å; E119-F122 PolarHBondContact O-N 2.91Å; E119-L123 WeakPolarHBondContact O-CG 3.32Å; E119-L123 PolarHBondContact O-N 2.68Å
120	G	96.3	Very high	97.5	Very high	4 Å²	4	53.1 Å²	53.1	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-41.2	174	0	0	0	0	0	113.1	M104 N117 M118 A124	M104-G120 VanDerWaalsContact CE-C 3.49Å; M104-G120 WeakPolarHBondContact CE-O 3.38Å; N117-G120 PolarHBondContact O-N 2.93Å; N117-G120 PolarHBondContact OD1-N 3.29Å; M118-G120 VanDerWaalsContact C-N 3.26Å; M118-G120 PolarHBondContact O-N 2.87Å; G120-A124 VanDerWaalsContact O-CB 3.26Å; G120-A124 WeakPolarHBondContact O-CB 3.46Å; G120-A124 PolarHBondContact O-N 2.82Å
121	L	97.9	Very high	97.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-48	174.7	168.3	66.2	0	0	0	112	I18 F27 L97 L101 L114 N117 M118 E119 L123 A124 V125	I18-L121 HydrophobicContact CD1-CD1 3.5Å; I18-L121 HydrophobicContact CD1-CD2 3.8Å; I18-L121 HydrophobicContact CD1-CG 4.32Å; F27-L121 HydrophobicContact CB-CD2 3.82Å; F27-L121 HydrophobicContact CD2-CD2 3.88Å; F27-L121 HydrophobicContact CD2-CG 4.28Å; F27-L121 HydrophobicContact CG-CD2 3.9Å; L97-L121 HydrophobicContact CD1-CD1 4.06Å; L101-L121 HydrophobicContact CD1-CD1 3.93Å; L101-L121 HydrophobicContact CD2-CB 4.16Å; L101-L121 HydrophobicContact CD2-CD1 4.13Å; L114-L121 HydrophobicContact CD1-CB 4.34Å; L114-L121 HydrophobicContact CD1-CD2 4.29Å; L114-L121 HydrophobicContact CD2-CD2 4.43Å; L114-L121 HydrophobicContact CG-CD2 4.46Å; N117-L121 PolarHBondContact O-N 2.9Å; M118-L121 HydrophobicContact CE-CD2 3.94Å; M118-L121 WeakPolarHBondContact O-CB 3.37Å; M118-L121 PolarHBondContact O-N 3.02Å; M118-L121 VanDerWaalsContact O-N 3.08Å; M118-L121 HydrophobicContact SD-CD2 3.96Å; E119-L121 VanDerWaalsContact C-N 3.33Å; E119-L121 PolarHBondContact O-N 2.95Å; L121-L123 PolarHBondContact O-N 3.08Å; L121-A124 PolarHBondContact O-N 2.9Å; L121-V125 HydrophobicContact CD1-CG2 3.89Å; L121-V125 WeakPolarHBondContact O-CG2 3.48Å; L121-V125 PolarHBondContact O-N 3.21Å
122	F	97.9	Very high	97.4	Very high	105 Å²	105	49.5 Å²	49.5	46%	0.461	25%	0.247	S	C	.	.	H	α-helix	trans	-59.4	-48.7	179.1	-76.6	-72.2	0	0	0	111.4	F27 M118 E119 A124 V125 D126	F27-F122 HydrophobicContact CD2-CD1 4.32Å; F27-F122 AromaticContact CD2-CE1 3.86Å; F27-F122 HydrophobicContact CD2-CE1 3.86Å; F27-F122 HydrophobicContact CD2-CZ 4.23Å; F27-F122 AromaticContact CE2-CD1 3.69Å; F27-F122 HydrophobicContact CE2-CD1 3.69Å; F27-F122 AromaticContact CE2-CE1 3.54Å; F27-F122 HydrophobicContact CE2-CE1 3.54Å; F27-F122 HydrophobicContact CE2-CZ 4.35Å; M118-F122 HydrophobicContact CB-CE2 4.34Å; M118-F122 HydrophobicContact CE-CE2 3.81Å; M118-F122 HydrophobicContact CE-CZ 4.16Å; M118-F122 WeakPolarHBondContact O-CD2 3.49Å; M118-F122 PolarHBondContact O-N 2.9Å; E119-F122 PolarHBondContact O-N 2.91Å; F122-A124 PolarHBondContact O-N 2.99Å; F122-V125 PolarHBondContact O-N 2.86Å; F122-D126 PolarHBondContact O-N 2.86Å
123	L	97.3	Very high	97.4	Very high	43 Å²	43	42.8 Å²	42.8	23%	0.225	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-41.1	178.5	-66.9	175.3	0	0	0	112.1	E119 L121 D126 E127 V146 R149	E119-L123 WeakPolarHBondContact O-CG 3.32Å; E119-L123 PolarHBondContact O-N 2.68Å; L121-L123 PolarHBondContact O-N 3.08Å; L123-D126 PolarHBondContact O-N 2.81Å; L123-E127 WeakPolarHBondContact O-CG 3.3Å; L123-E127 PolarHBondContact O-N 2.9Å; L123-E127 VanDerWaalsContact O-N 3.1Å; L123-V146 HydrophobicContact CB-CB 4.39Å; L123-V146 HydrophobicContact CB-CG1 3.9Å; L123-V146 HydrophobicContact CB-CG2 3.87Å; L123-V146 HydrophobicContact CD1-CG1 4.03Å; L123-R149 HydrophobicContact CD1-CB 4.23Å
124	A	98.3	Very high	97.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-44.7	177.6	0	0	0	0	0	111.6	M104 G120 L121 F122 D126 E127 I128 V142 V146	M104-A124 HydrophobicContact SD-CB 4.45Å; G120-A124 VanDerWaalsContact O-CB 3.26Å; G120-A124 WeakPolarHBondContact O-CB 3.46Å; G120-A124 PolarHBondContact O-N 2.82Å; L121-A124 PolarHBondContact O-N 2.9Å; F122-A124 PolarHBondContact O-N 2.99Å; A124-D126 VanDerWaalsContact C-N 3.33Å; A124-D126 PolarHBondContact O-N 2.92Å; A124-E127 PolarHBondContact O-N 3.17Å; A124-I128 WeakPolarHBondContact O-CD1 3.46Å; A124-I128 WeakPolarHBondContact O-CG1 3.34Å; A124-I128 PolarHBondContact O-N 2.94Å; A124-I128 VanDerWaalsContact O-N 3.13Å; A124-V142 HydrophobicContact CB-CG1 3.84Å; A124-V146 HydrophobicContact CB-CG2 4.24Å
125	V	98.5	Very high	97.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-40.2	178.2	173.2	0	0	0	0	111.4	I16 F27 K29 L97 L121 F122 E127 I128 V129	I16-V125 HydrophobicContact CD1-CG1 4.08Å; F27-V125 HydrophobicContact CE1-CG1 4.28Å; F27-V125 HydrophobicContact CE1-CG2 4.02Å; F27-V125 HydrophobicContact CZ-CB 4.12Å; F27-V125 HydrophobicContact CZ-CG1 3.89Å; F27-V125 HydrophobicContact CZ-CG2 3.88Å; K29-V125 HydrophobicContact CD-CG1 3.92Å; L97-V125 HydrophobicContact CD1-CG2 3.8Å; L121-V125 HydrophobicContact CD1-CG2 3.89Å; L121-V125 WeakPolarHBondContact O-CG2 3.48Å; L121-V125 PolarHBondContact O-N 3.21Å; F122-V125 PolarHBondContact O-N 2.86Å; V125-E127 VanDerWaalsContact C-N 3.31Å; V125-E127 PolarHBondContact O-N 2.89Å; V125-I128 PolarHBondContact O-N 3.2Å; V125-V129 PolarHBondContact O-N 2.9Å
126	D	97.2	Very high	97.4	Very high	71 Å²	71	46 Å²	46	38%	0.38	24%	0.24	S	C	.	.	H	α-helix	trans	-66.7	-29.7	178	-72.1	-16.5	0	0	0	113.2	K29 F122 L123 A124	K29-D126 IonicContact NZ-OD1 2.63Å; K29-D126 PolarHBondContact NZ-OD1 2.93Å; F122-D126 PolarHBondContact O-N 2.86Å; L123-D126 PolarHBondContact O-N 2.81Å; A124-D126 VanDerWaalsContact C-N 3.33Å; A124-D126 PolarHBondContact O-N 2.92Å
127	E	97.8	Very high	97.4	Very high	15 Å²	15	42.9 Å²	42.9	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-77	-26.6	173.3	-71.1	-64.6	162.6	0	0	113	L123 A124 V125 E136 V142 R145 R149	L123-E127 WeakPolarHBondContact O-CG 3.3Å; L123-E127 PolarHBondContact O-N 2.9Å; L123-E127 VanDerWaalsContact O-N 3.1Å; A124-E127 PolarHBondContact O-N 3.17Å; V125-E127 VanDerWaalsContact C-N 3.31Å; V125-E127 PolarHBondContact O-N 2.89Å; E127-E136 VanDerWaalsContact O-CB 3.25Å; E127-E136 WeakPolarHBondContact O-CB 3.38Å; E127-V142 HydrophobicContact CB-CG1 4.24Å; E127-R145 HydrophobicContact CG-CB 4.08Å; E127-R145 WeakPolarHBondContact OE2-CD 3.22Å; E127-R145 IonicContact OE2-CZ 3.86Å; E127-R145 IonicContact OE2-NE 3.86Å; E127-R145 IonicContact OE2-NH1 3.76Å; E127-R145 PolarHBondContact OE2-NH1 3.36Å; E127-R149 IonicContact OE1-CZ 2.95Å; E127-R149 IonicContact OE1-NE 3.89Å; E127-R149 PolarHBondContact OE1-NE 2.87Å; E127-R149 VanDerWaalsContact OE1-NE 3.12Å; E127-R149 IonicContact OE1-NH1 3.04Å; E127-R149 IonicContact OE1-NH2 3.02Å; E127-R149 PolarHBondContact OE1-NH2 3.44Å
128	I	98.6	Very high	97.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-86.8	-46	-176.6	-63	165.4	0	0	0	111.3	V93 L97 A124 V125 L135 E136 V142	V93-I128 HydrophobicContact CG1-CG2 3.86Å; L97-I128 HydrophobicContact CB-CD1 3.98Å; L97-I128 HydrophobicContact CD1-CD1 4.16Å; A124-I128 WeakPolarHBondContact O-CD1 3.46Å; A124-I128 WeakPolarHBondContact O-CG1 3.34Å; A124-I128 PolarHBondContact O-N 2.94Å; A124-I128 VanDerWaalsContact O-N 3.13Å; V125-I128 PolarHBondContact O-N 3.2Å; I128-L135 PolarHBondContact O-N 3.33Å; I128-E136 WeakPolarHBondContact CG2-O 3.48Å; I128-E136 PolarHBondContact O-N 2.81Å; I128-V142 HydrophobicContact CD1-CG1 4.36Å; I128-V142 HydrophobicContact CD1-CG2 4.28Å; I128-V142 HydrophobicContact CG1-CG1 4.25Å; I128-V142 HydrophobicContact CG1-CG2 3.62Å
129	V	98.5	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129	-174.6	-175.9	0	0	0	0	111.9	V13 I16 Y31 V93 V125 V133	V13-V129 HydrophobicContact CB-CG1 4.03Å; V13-V129 HydrophobicContact CG1-CG1 4.36Å; V13-V129 HydrophobicContact CG2-CG1 4.35Å; V13-V129 HydrophobicContact CG2-CG2 4.21Å; I16-V129 HydrophobicContact CD1-CB 4.21Å; I16-V129 HydrophobicContact CD1-CG2 3.85Å; Y31-V129 HydrophobicContact CD1-CG1 4.46Å; Y31-V129 HydrophobicContact CD2-CG1 4.19Å; Y31-V129 HydrophobicContact CE1-CG1 3.89Å; Y31-V129 HydrophobicContact CE2-CB 4.25Å; Y31-V129 HydrophobicContact CE2-CG1 3.6Å; Y31-V129 VanDerWaalsContact CZ-CG1 3.44Å; Y31-V129 WeakPolarHBondContact OH-CB 3.45Å; Y31-V129 PolarHBondContact OH-O 3.24Å; V93-V129 HydrophobicContact CG1-CG2 3.78Å; V93-V129 HydrophobicContact CG2-CG2 4.43Å; V125-V129 PolarHBondContact O-N 2.9Å; V129-V133 VanDerWaalsContact CA-O 3.3Å; V129-V133 WeakPolarHBondContact CA-O 3.5Å; V129-V133 WeakPolarHBondContact CG1-O 3.16Å
130	D	97.3	Very high	97.7	Very high	103 Å²	103	41.1 Å²	41.1	55%	0.551	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	129	171.8	-176	33.3	0	0	0	111.4	G132 V133 L135	D130-G132 PolarHBondContact O-N 3Å; D130-V133 PolarHBondContact N-O 3.03Å; D130-V133 WeakPolarHBondContact O-CA 3.49Å; D130-V133 WeakPolarHBondContact O-CB 3.48Å; D130-V133 PolarHBondContact O-N 2.67Å; D130-L135 HydrophobicContact CB-CD1 3.56Å; D130-L135 HydrophobicContact CB-CG 4.1Å
131	G	96.4	Very high	97.7	Very high	36 Å²	36	44.8 Å²	44.8	37%	0.371	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	23.4	-178.2	0	0	0	0	0	115.1	Y11 V133	Y11-G131 WeakPolarHBondContact CD1-O 3.47Å; G131-V133 VanDerWaalsContact C-N 3.34Å
132	G	97.2	Very high	97.7	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.021	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	0.6	-174.7	0	0	0	0	0	114.9	T12 V13 D130	T12-G132 PolarHBondContact N-O 2.77Å; V13-G132 PolarHBondContact N-O 3.15Å; V13-G132 WeakPolarHBondContact O-CA 3.36Å; D130-G132 PolarHBondContact O-N 3Å
133	V	97.7	Very high	97.7	Very high	31 Å²	31	41.3 Å²	41.3	19%	0.188	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.4	174.6	-177.4	0	0	0	0	109.9	L10 Y11 V129 D130 G131 L135	L10-V133 HydrophobicContact CB-CG1 4.12Å; L10-V133 HydrophobicContact CB-CG2 4Å; L10-V133 WeakPolarHBondContact O-CA 3.12Å; Y11-V133 HydrophobicContact CD1-CG2 4.04Å; Y11-V133 HydrophobicContact CE1-CG2 4.09Å; V129-V133 VanDerWaalsContact CA-O 3.3Å; V129-V133 WeakPolarHBondContact CA-O 3.5Å; V129-V133 WeakPolarHBondContact CG1-O 3.16Å; D130-V133 PolarHBondContact N-O 3.03Å; D130-V133 WeakPolarHBondContact O-CA 3.49Å; D130-V133 WeakPolarHBondContact O-CB 3.48Å; D130-V133 PolarHBondContact O-N 2.67Å; G131-V133 VanDerWaalsContact C-N 3.34Å; V133-L135 HydrophobicContact CG1-CD2 4.4Å; V133-L135 PolarHBondContact O-N 2.97Å
134	I	97.9	Very high	97.6	Very high	46 Å²	46	43 Å²	43	24%	0.236	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	118.9	176.3	-54.9	170.8	0	0	0	108.5	T12 V13 M89 V93	T12-I134 HydrophobicContact CG2-CD1 4.19Å; V13-I134 HydrophobicContact CG2-CD1 4.44Å; V13-I134 HydrophobicContact CG2-CG1 4.03Å; M89-I134 HydrophobicContact CB-CD1 4.35Å; M89-I134 HydrophobicContact CE-CD1 4.14Å; V93-I134 HydrophobicContact CG2-CB 4.47Å; V93-I134 HydrophobicContact CG2-CD1 3.49Å; V93-I134 VanDerWaalsContact CG2-CD1 3.49Å; V93-I134 HydrophobicContact CG2-CG1 3.6Å; V93-I134 HydrophobicContact CG2-CG2 4.06Å
135	L	98	Very high	97.4	Very high	93 Å²	93	47 Å²	47	49%	0.487	25%	0.251	S	S	.	.			trans	-98.6	-40.2	-179.9	-60.9	-174.4	0	0	0	112.5	I128 D130 V133	I128-L135 PolarHBondContact O-N 3.33Å; D130-L135 HydrophobicContact CB-CD1 3.56Å; D130-L135 HydrophobicContact CB-CG 4.1Å; V133-L135 HydrophobicContact CG1-CD2 4.4Å; V133-L135 PolarHBondContact O-N 2.97Å
136	E	97.9	Very high	97.1	Very high	30 Å²	30	47.5 Å²	47.5	14%	0.14	25%	0.254	C	S	.	.			trans	-140.9	141.6	-176.3	-173.6	55.8	-95.2	0	0	110.1	E127 I128 D138 Q141 V142 R145	E127-E136 VanDerWaalsContact O-CB 3.25Å; E127-E136 WeakPolarHBondContact O-CB 3.38Å; I128-E136 WeakPolarHBondContact CG2-O 3.48Å; I128-E136 PolarHBondContact O-N 2.81Å; E136-D138 PolarHBondContact OE1-N 2.99Å; E136-Q141 HydrophobicContact CG-CB 4.01Å; E136-Q141 WeakPolarHBondContact OE2-CB 3.3Å; E136-V142 HydrophobicContact CB-CG2 4.14Å; E136-V142 HydrophobicContact CG-CG2 3.56Å; E136-R145 IonicContact OE2-CZ 3.56Å; E136-R145 IonicContact OE2-NH1 3.66Å; E136-R145 IonicContact OE2-NH2 2.78Å; E136-R145 PolarHBondContact OE2-NH2 3.42Å
137	S	96.7	Very high	96.7	Very high	71 Å²	71	46.8 Å²	46.8	50%	0.497	26%	0.258	S	S	.	.			trans	-132	-3.2	176.3	64.3	0	0	0	0	113.4	C96 P139	C96-S137 WeakPolarHBondContact CB-O 3.41Å; C96-S137 PolarHBondContact SG-O 3.39Å; S137-P139 WeakPolarHBondContact O-CD 3.44Å
138	D	98.1	Very high	95.8	Very high	59 Å²	59	49.3 Å²	49.3	32%	0.316	27%	0.272	S	S	.	.			trans	-90.1	113.6	170.3	-177.3	-7.5	0	0	0	110.7	E136 Q140 Q141 V142	E136-D138 PolarHBondContact OE1-N 2.99Å; D138-Q140 PolarHBondContact O-N 3.02Å; D138-Q140 WeakPolarHBondContact OD1-CB 3.44Å; D138-Q140 PolarHBondContact OD1-N 2.93Å; D138-Q141 HydrophobicContact CB-CB 4.27Å; D138-Q141 HydrophobicContact CB-CG 3.94Å; D138-Q141 PolarHBondContact O-N 3Å; D138-Q141 VanDerWaalsContact O-N 3.1Å; D138-V142 PolarHBondContact O-N 3.33Å
139	P	97.9	Very high	94.5	Very high	23 Å²	23	56 Å²	56	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-24.4	-179.4	28.2	-36.8	0	0	0	113.4	D99 S100 S137 V143	D99-P139 HydrophobicContact CB-CB 3.79Å; D99-P139 HydrophobicContact CB-CG 3.84Å; S100-P139 VanDerWaalsContact OG-CA 3.31Å; S100-P139 WeakPolarHBondContact OG-CA 3.48Å; S100-P139 WeakPolarHBondContact OG-CB 3.44Å; S137-P139 WeakPolarHBondContact O-CD 3.44Å; P139-V143 WeakPolarHBondContact O-CB 3.47Å; P139-V143 WeakPolarHBondContact O-CG2 3.37Å; P139-V143 PolarHBondContact O-N 3.12Å
140	Q	97.3	Very high	92.8	Very high	131 Å²	131	59.1 Å²	59.1	61%	0.612	33%	0.329	S	S	*	.	H	α-helix	trans	-68	-39.1	175.6	-62.1	-173.3	-12.5	0	0	111.5	D138 H144	D138-Q140 PolarHBondContact O-N 3.02Å; D138-Q140 WeakPolarHBondContact OD1-CB 3.44Å; D138-Q140 PolarHBondContact OD1-N 2.93Å; Q140-H144 WeakPolarHBondContact O-CB 3.43Å; Q140-H144 PolarHBondContact O-N 2.86Å
141	Q	97.8	Very high	90.7	Very high	80 Å²	80	59.1 Å²	59.1	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-68.3	-42.3	176.6	-64.4	-56.2	-44.4	0	0	111.3	E136 D138 H144 R145	E136-Q141 HydrophobicContact CG-CB 4.01Å; E136-Q141 WeakPolarHBondContact OE2-CB 3.3Å; D138-Q141 HydrophobicContact CB-CB 4.27Å; D138-Q141 HydrophobicContact CB-CG 3.94Å; D138-Q141 PolarHBondContact O-N 3Å; D138-Q141 VanDerWaalsContact O-N 3.1Å; Q141-H144 PolarHBondContact O-N 2.86Å; Q141-R145 WeakPolarHBondContact O-CG 3.17Å; Q141-R145 PolarHBondContact O-N 2.89Å
142	V	98.1	Very high	88.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-57.5	-55.3	175.3	176.3	0	0	0	0	110.4	S100 A124 E127 I128 E136 D138 H144 R145 V146	S100-V142 WeakPolarHBondContact OG-CB 3.29Å; A124-V142 HydrophobicContact CB-CG1 3.84Å; E127-V142 HydrophobicContact CB-CG1 4.24Å; I128-V142 HydrophobicContact CD1-CG1 4.36Å; I128-V142 HydrophobicContact CD1-CG2 4.28Å; I128-V142 HydrophobicContact CG1-CG1 4.25Å; I128-V142 HydrophobicContact CG1-CG2 3.62Å; E136-V142 HydrophobicContact CB-CG2 4.14Å; E136-V142 HydrophobicContact CG-CG2 3.56Å; D138-V142 PolarHBondContact O-N 3.33Å; V142-H144 VanDerWaalsContact C-N 3.27Å; V142-H144 PolarHBondContact O-N 3.31Å; V142-R145 PolarHBondContact O-N 2.88Å; V142-R145 VanDerWaalsContact O-N 3.13Å; V142-V146 HydrophobicContact CG1-CG2 4.15Å; V142-V146 VanDerWaalsContact O-CG2 3.25Å; V142-V146 WeakPolarHBondContact O-CG2 3.46Å; V142-V146 PolarHBondContact O-N 3.14Å
143	V	96.6	Very high	86.3	Confident	33 Å²	33	67.9 Å²	67.9	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-60	-39.8	-178.2	173.5	0	0	0	0	111.3	Q103 M104 P139 V146 A147	Q103-V143 HydrophobicContact CB-CG2 3.91Å; M104-V143 HydrophobicContact CG-CG1 4.43Å; M104-V143 HydrophobicContact CG-CG2 4.08Å; M104-V143 HydrophobicContact SD-CG2 4.42Å; P139-V143 WeakPolarHBondContact O-CB 3.47Å; P139-V143 WeakPolarHBondContact O-CG2 3.37Å; P139-V143 PolarHBondContact O-N 3.12Å; V143-V146 PolarHBondContact O-N 3.25Å; V143-A147 WeakPolarHBondContact O-CB 3.07Å; V143-A147 PolarHBondContact O-N 2.92Å
144	H	95.1	Very high	83.8	Confident	77 Å²	77	70.5 Å²	70.5	36%	0.356	38%	0.383	S	S	.	.	H	α-helix	trans	-59.6	-49.6	175.7	-177.1	48.7	0	0	0	111.7	Q140 Q141 V142 A147 L148 Q162	Q140-H144 WeakPolarHBondContact O-CB 3.43Å; Q140-H144 PolarHBondContact O-N 2.86Å; Q141-H144 PolarHBondContact O-N 2.86Å; V142-H144 VanDerWaalsContact C-N 3.27Å; V142-H144 PolarHBondContact O-N 3.31Å; H144-A147 PolarHBondContact O-N 2.76Å; H144-L148 WeakPolarHBondContact O-CG 3.49Å; H144-L148 PolarHBondContact O-N 2.84Å; H144-Q162 PolarHBondContact CE1-NE2 3.1Å
145	R	94.4	Very high	81.7	Confident	84 Å²	84	75.1 Å²	75.1	32%	0.317	41%	0.408	S	S	.	.	H	α-helix	trans	-66.6	-38.3	179.9	-67.7	179.9	-164.4	161.7	14.1	112.8	E127 E136 Q141 V142 L148 R149	E127-R145 HydrophobicContact CG-CB 4.08Å; E127-R145 WeakPolarHBondContact OE2-CD 3.22Å; E127-R145 IonicContact OE2-CZ 3.86Å; E127-R145 IonicContact OE2-NE 3.86Å; E127-R145 IonicContact OE2-NH1 3.76Å; E127-R145 PolarHBondContact OE2-NH1 3.36Å; E136-R145 IonicContact OE2-CZ 3.56Å; E136-R145 IonicContact OE2-NH1 3.66Å; E136-R145 IonicContact OE2-NH2 2.78Å; E136-R145 PolarHBondContact OE2-NH2 3.42Å; Q141-R145 WeakPolarHBondContact O-CG 3.17Å; Q141-R145 PolarHBondContact O-N 2.89Å; V142-R145 PolarHBondContact O-N 2.88Å; V142-R145 VanDerWaalsContact O-N 3.13Å; R145-L148 PolarHBondContact O-N 2.88Å; R145-R149 WeakPolarHBondContact O-CG 3.35Å; R145-R149 PolarHBondContact O-N 2.85Å
146	V	93.1	Very high	79.7	Confident	12 Å²	12	75.6 Å²	75.6	7%	0.073	41%	0.414	C	S	.	.	H	α-helix	trans	-62.4	-43.5	175.7	174.2	0	0	0	0	110.9	M104 L123 A124 V142 V143 L148 R149 G150	M104-V146 HydrophobicContact CE-CG1 3.72Å; M104-V146 HydrophobicContact SD-CG1 4.43Å; L123-V146 HydrophobicContact CB-CB 4.39Å; L123-V146 HydrophobicContact CB-CG1 3.9Å; L123-V146 HydrophobicContact CB-CG2 3.87Å; L123-V146 HydrophobicContact CD1-CG1 4.03Å; A124-V146 HydrophobicContact CB-CG2 4.24Å; V142-V146 HydrophobicContact CG1-CG2 4.15Å; V142-V146 VanDerWaalsContact O-CG2 3.25Å; V142-V146 WeakPolarHBondContact O-CG2 3.46Å; V142-V146 PolarHBondContact O-N 3.14Å; V143-V146 PolarHBondContact O-N 3.25Å; V146-L148 VanDerWaalsContact C-N 3.34Å; V146-L148 PolarHBondContact O-N 3.47Å; V146-R149 PolarHBondContact O-N 3.11Å; V146-R149 VanDerWaalsContact O-N 3.15Å; V146-G150 PolarHBondContact O-N 3.12Å
147	A	88.2	Confident	77.5	Confident	56 Å²	56	80.3 Å²	80.3	46%	0.463	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-39.3	178.2	0	0	0	0	0	112.6	V143 H144 R149 G150	V143-A147 WeakPolarHBondContact O-CB 3.07Å; V143-A147 PolarHBondContact O-N 2.92Å; H144-A147 PolarHBondContact O-N 2.76Å; A147-R149 PolarHBondContact O-N 3.25Å; A147-G150 PolarHBondContact O-N 2.97Å
148	L	79.3	Confident	75.5	Confident	69 Å²	69	78.6 Å²	78.6	36%	0.361	42%	0.421	S	S	.	.	H	α-helix	trans	-64.9	-25.9	176.5	-63.6	174.4	0	0	0	113	H144 R145 V146 Q158	H144-L148 WeakPolarHBondContact O-CG 3.49Å; H144-L148 PolarHBondContact O-N 2.84Å; R145-L148 PolarHBondContact O-N 2.88Å; V146-L148 VanDerWaalsContact C-N 3.34Å; V146-L148 PolarHBondContact O-N 3.47Å; L148-Q158 VanDerWaalsContact CD2-CD 3.5Å
149	R	71.8	Confident	73.7	Confident	139 Å²	139	79.4 Å²	79.4	53%	0.525	43%	0.428	S	S	.	.	H	α-helix	trans	-86.7	-25	179.8	-69.7	-177.5	-178.2	-155.3	4.8	113.8	L123 E127 R145 V146 A147	L123-R149 HydrophobicContact CD1-CB 4.23Å; E127-R149 IonicContact OE1-CZ 2.95Å; E127-R149 IonicContact OE1-NE 3.89Å; E127-R149 PolarHBondContact OE1-NE 2.87Å; E127-R149 VanDerWaalsContact OE1-NE 3.12Å; E127-R149 IonicContact OE1-NH1 3.04Å; E127-R149 IonicContact OE1-NH2 3.02Å; E127-R149 PolarHBondContact OE1-NH2 3.44Å; R145-R149 WeakPolarHBondContact O-CG 3.35Å; R145-R149 PolarHBondContact O-N 2.85Å; V146-R149 PolarHBondContact O-N 3.11Å; V146-R149 VanDerWaalsContact O-N 3.15Å; A147-R149 PolarHBondContact O-N 3.25Å
150	G	62	Low	72	Confident	66 Å²	66	82.3 Å²	82.3	68%	0.68	45%	0.445	S	S	*	.	H	α-helix	trans	-80.2	-19.4	179.2	0	0	0	0	0	114	V146 A147	V146-G150 PolarHBondContact O-N 3.12Å; A147-G150 PolarHBondContact O-N 2.97Å
151	E	53.8	Low	70.4	Confident	103 Å²	103	79.8 Å²	79.8	48%	0.481	44%	0.442	S	S	.	.			trans	-99	107.5	174.8	-74.7	-178.7	178.9	0	0	109.1	V153 Q158	E151-V153 HydrophobicContact CB-CB 4.01Å; E151-V153 HydrophobicContact CB-CG2 3.75Å; E151-V153 HydrophobicContact CG-CG2 4.19Å; E151-V153 PolarHBondContact O-N 3.28Å; E151-Q158 PolarHBondContact OE2-NE2 3.03Å
152	D	49.8	Very low	68.8	Low	174 Å²	174	80.8 Å²	80.8	93%	0.93	45%	0.447	S	S	*	.			trans	-65.8	38.7	158	-85.3	-33.2	0	0	0	110.8
153	V	50.1	Low	67.2	Low	49 Å²	49	84.8 Å²	84.8	30%	0.297	47%	0.471	S	S	.	.			trans	-91.8	121.4	178	177.7	0	0	0	0	106.8	E151 L155 E157	E151-V153 HydrophobicContact CB-CB 4.01Å; E151-V153 HydrophobicContact CB-CG2 3.75Å; E151-V153 HydrophobicContact CG-CG2 4.19Å; E151-V153 PolarHBondContact O-N 3.28Å; V153-L155 PolarHBondContact O-N 3.05Å; V153-E157 HydrophobicContact CG1-CB 3.76Å; V153-E157 HydrophobicContact CG1-CG 4.21Å
154	P	46.4	Very low	66.1	Low	85 Å²	85	88 Å²	88	55%	0.552	49%	0.486	S	S	*	.			trans	-52.3	132.2	178.6	-24.7	33.3	0	0	0	110.5	T156 E157	P154-T156 PolarHBondContact O-N 3.35Å; P154-T156 PolarHBondContact O-OG1 2.95Å; P154-E157 PolarHBondContact O-N 3.45Å
155	L	53.3	Low	65	Low	144 Å²	144	90.3 Å²	90.3	75%	0.754	50%	0.497	S	S	*	.	H	α-helix	trans	-40.1	-21.8	178	-87.7	134	0	0	0	115.4	V153 T159	V153-L155 PolarHBondContact O-N 3.05Å; L155-T159 PolarHBondContact O-OG1 3.07Å
156	T	55.3	Low	64.1	Low	102 Å²	102	89 Å²	89	63%	0.626	50%	0.501	S	S	*	.	H	α-helix	trans	-62.5	-32.6	175.1	52.2	0	0	0	0	114.2	P154 V160	P154-T156 PolarHBondContact O-N 3.35Å; P154-T156 PolarHBondContact O-OG1 2.95Å; T156-V160 WeakPolarHBondContact O-CG2 3.15Å
157	E	52.7	Low	63.2	Low	130 Å²	130	90.2 Å²	90.2	61%	0.607	51%	0.512	S	S	*	.	H	α-helix	trans	-87.4	-34.7	-174.8	-62.3	-163.7	167.3	0	0	113.9	V153 P154 V160 S161	V153-E157 HydrophobicContact CG1-CB 3.76Å; V153-E157 HydrophobicContact CG1-CG 4.21Å; P154-E157 PolarHBondContact O-N 3.45Å; E157-V160 PolarHBondContact O-N 2.71Å; E157-S161 PolarHBondContact O-N 2.82Å
158	Q	54.2	Low	62.7	Low	34 Å²	34	95 Å²	95	16%	0.159	52%	0.522	C	S	.	.	H	α-helix	trans	-69.6	-37.4	178.9	-73.8	170.7	-16	0	0	112.1	L148 E151 V160 S161 Q162	L148-Q158 VanDerWaalsContact CD2-CD 3.5Å; E151-Q158 PolarHBondContact OE2-NE2 3.03Å; Q158-V160 VanDerWaalsContact C-N 3.27Å; Q158-V160 PolarHBondContact O-N 3.43Å; Q158-S161 PolarHBondContact O-N 3.2Å; Q158-Q162 PolarHBondContact O-N 2.61Å; Q158-Q162 VanDerWaalsContact O-N 3.15Å
159	T	61.3	Low	62.5	Low	77 Å²	77	97.1 Å²	97.1	47%	0.472	53%	0.53	S	S	.	.	H	α-helix	trans	-59.9	-39.9	176.3	-53.7	0	0	0	0	110.8	L155 V163	L155-T159 PolarHBondContact O-OG1 3.07Å; T159-V163 HydrophobicContact CG2-CG2 4.04Å; T159-V163 WeakPolarHBondContact O-CB 3.14Å; T159-V163 WeakPolarHBondContact O-CG2 3.47Å; T159-V163 PolarHBondContact O-N 3.19Å
160	V	60.9	Low	62.7	Low	84 Å²	84	97.5 Å²	97.5	51%	0.509	54%	0.538	S	S	.	.	H	α-helix	trans	-68.6	-42.7	-177.8	176.8	0	0	0	0	111.7	T156 E157 Q158 V163 L164	T156-V160 WeakPolarHBondContact O-CG2 3.15Å; E157-V160 PolarHBondContact O-N 2.71Å; Q158-V160 VanDerWaalsContact C-N 3.27Å; Q158-V160 PolarHBondContact O-N 3.43Å; V160-V163 PolarHBondContact O-N 3.39Å; V160-L164 HydrophobicContact CG1-CD1 3.76Å; V160-L164 HydrophobicContact CG1-CG 4.4Å; V160-L164 VanDerWaalsContact O-CB 3.31Å; V160-L164 WeakPolarHBondContact O-CB 3.47Å; V160-L164 WeakPolarHBondContact O-CD1 3.36Å; V160-L164 VanDerWaalsContact O-CG 3.26Å; V160-L164 WeakPolarHBondContact O-CG 3.47Å; V160-L164 PolarHBondContact O-N 2.94Å
161	S	65	Low	63.4	Low	78 Å²	78	99.1 Å²	99.1	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-66.7	-42.1	179.7	-66.1	0	0	0	0	112.5	E157 Q158 L164 Q165	E157-S161 PolarHBondContact O-N 2.82Å; Q158-S161 PolarHBondContact O-N 3.2Å; S161-L164 PolarHBondContact O-N 2.63Å; S161-Q165 PolarHBondContact O-N 3.23Å
162	Q	64.5	Low	64.6	Low	101 Å²	101	100.9 Å²	100.9	47%	0.472	54%	0.536	S	S	.	.	H	α-helix	trans	-68.2	-40.7	175.7	-69.6	179.9	-18.1	0	0	112.4	H144 Q158 L164 Q165 S166	H144-Q162 PolarHBondContact CE1-NE2 3.1Å; Q158-Q162 PolarHBondContact O-N 2.61Å; Q158-Q162 VanDerWaalsContact O-N 3.15Å; Q162-L164 VanDerWaalsContact C-N 3.33Å; Q162-L164 PolarHBondContact O-N 2.88Å; Q162-Q165 PolarHBondContact O-N 3.37Å; Q162-S166 WeakPolarHBondContact O-CB 3.38Å; Q162-S166 PolarHBondContact O-N 2.89Å; Q162-S166 PolarHBondContact O-OG 2.74Å
163	V	63.8	Low	65.5	Low	84 Å²	84	101.9 Å²	101.9	51%	0.509	53%	0.527	S	S	.	.	H	α-helix	trans	-63.3	-39.3	173.8	170	0	0	0	0	110.7	T159 V160 S166 A167	T159-V163 HydrophobicContact CG2-CG2 4.04Å; T159-V163 WeakPolarHBondContact O-CB 3.14Å; T159-V163 WeakPolarHBondContact O-CG2 3.47Å; T159-V163 PolarHBondContact O-N 3.19Å; V160-V163 PolarHBondContact O-N 3.39Å; V163-S166 WeakPolarHBondContact CA-OG 3.43Å; V163-S166 PolarHBondContact O-OG 3.17Å; V163-S166 VanDerWaalsContact O-OG 3.04Å; V163-A167 WeakPolarHBondContact O-CB 3.06Å; V163-A167 PolarHBondContact O-N 2.61Å
164	L	72.6	Confident	66.7	Low	99 Å²	99	103.2 Å²	103.2	52%	0.518	54%	0.539	S	S	.	.	H	α-helix	trans	-65.5	-39.7	175.4	-81.7	162.6	0	0	0	112.5	V160 S161 Q162 K168	V160-L164 HydrophobicContact CG1-CD1 3.76Å; V160-L164 HydrophobicContact CG1-CG 4.4Å; V160-L164 VanDerWaalsContact O-CB 3.31Å; V160-L164 WeakPolarHBondContact O-CB 3.47Å; V160-L164 WeakPolarHBondContact O-CD1 3.36Å; V160-L164 VanDerWaalsContact O-CG 3.26Å; V160-L164 WeakPolarHBondContact O-CG 3.47Å; V160-L164 PolarHBondContact O-N 2.94Å; S161-L164 PolarHBondContact O-N 2.63Å; Q162-L164 VanDerWaalsContact C-N 3.33Å; Q162-L164 PolarHBondContact O-N 2.88Å; L164-K168 WeakPolarHBondContact O-CG 3.43Å; L164-K168 PolarHBondContact O-N 2.85Å
165	Q	73.5	Confident	68	Low	127 Å²	127	105.6 Å²	105.6	59%	0.593	55%	0.546	S	S	*	.	H	α-helix	trans	-71.8	-45.2	-179	-162.8	167.9	2.3	0	0	111.7	S161 Q162 A167 K168 E169	S161-Q165 PolarHBondContact O-N 3.23Å; Q162-Q165 PolarHBondContact O-N 3.37Å; Q165-A167 VanDerWaalsContact C-N 3.33Å; Q165-A167 PolarHBondContact O-N 2.97Å; Q165-K168 WeakPolarHBondContact O-CB 3.47Å; Q165-K168 PolarHBondContact O-N 3.03Å; Q165-E169 PolarHBondContact O-N 3.45Å
166	S	73.9	Confident	68.9	Low	57 Å²	57	104.9 Å²	104.9	40%	0.399	54%	0.542	S	S	.	.	H	α-helix	trans	-62.5	-37.9	172.4	54.4	0	0	0	0	112.3	Q162 V163 E169 Q170	Q162-S166 WeakPolarHBondContact O-CB 3.38Å; Q162-S166 PolarHBondContact O-N 2.89Å; Q162-S166 PolarHBondContact O-OG 2.74Å; V163-S166 WeakPolarHBondContact CA-OG 3.43Å; V163-S166 PolarHBondContact O-OG 3.17Å; V163-S166 VanDerWaalsContact O-OG 3.04Å; S166-E169 PolarHBondContact O-N 3.24Å; S166-Q170 WeakPolarHBondContact O-CG 3.31Å; S166-Q170 PolarHBondContact O-N 3.42Å
167	A	74.2	Confident	68.9	Low	36 Å²	36	113.5 Å²	113.5	30%	0.298	56%	0.563	S	S	.	*	H	α-helix	trans	-64.2	-41.7	172.5	0	0	0	0	0	112.3	V163 Q165 E169 Q170 I171	V163-A167 WeakPolarHBondContact O-CB 3.06Å; V163-A167 PolarHBondContact O-N 2.61Å; Q165-A167 VanDerWaalsContact C-N 3.33Å; Q165-A167 PolarHBondContact O-N 2.97Å; A167-E169 VanDerWaalsContact C-N 3.32Å; A167-E169 PolarHBondContact O-N 3.04Å; A167-Q170 PolarHBondContact O-N 3.46Å; A167-I171 VanDerWaalsContact O-CG1 3.26Å; A167-I171 WeakPolarHBondContact O-CG1 3.38Å; A167-I171 PolarHBondContact O-N 3.1Å
168	K	78.2	Confident	69.7	Low	156 Å²	156	112.7 Å²	112.7	68%	0.678	56%	0.561	S	S	*	*	H	α-helix	trans	-60.7	-41.5	174.7	-82.3	-176.3	179.3	179.7	0	112	L164 Q165 I171 K172	L164-K168 WeakPolarHBondContact O-CG 3.43Å; L164-K168 PolarHBondContact O-N 2.85Å; Q165-K168 WeakPolarHBondContact O-CB 3.47Å; Q165-K168 PolarHBondContact O-N 3.03Å; K168-I171 PolarHBondContact O-N 2.71Å; K168-K172 WeakPolarHBondContact O-CB 3.24Å; K168-K172 PolarHBondContact O-N 2.99Å
169	E	76.2	Confident	70.5	Confident	114 Å²	114	116.8 Å²	116.8	53%	0.533	58%	0.582	S	S	.	*	H	α-helix	trans	-66.1	-44.8	176.6	-72.1	-177.3	175.4	0	0	111.6	Q165 S166 A167 I171 K172 W173	Q165-E169 PolarHBondContact O-N 3.45Å; S166-E169 PolarHBondContact O-N 3.24Å; A167-E169 VanDerWaalsContact C-N 3.32Å; A167-E169 PolarHBondContact O-N 3.04Å; E169-I171 VanDerWaalsContact C-N 3.34Å; E169-I171 PolarHBondContact O-N 2.69Å; E169-K172 WeakPolarHBondContact O-CB 3.49Å; E169-K172 PolarHBondContact O-N 3.43Å; E169-W173 PolarHBondContact O-N 2.92Å
170	Q	74.2	Confident	71	Confident	147 Å²	147	119.1 Å²	119.1	69%	0.687	59%	0.589	S	S	*	*	H	α-helix	trans	-59.3	-42.7	174.6	-78	-173.6	-11	0	0	112.4	S166 A167 W173 S174	S166-Q170 WeakPolarHBondContact O-CG 3.31Å; S166-Q170 PolarHBondContact O-N 3.42Å; A167-Q170 PolarHBondContact O-N 3.46Å; Q170-W173 PolarHBondContact O-N 3.2Å; Q170-S174 WeakPolarHBondContact O-CB 3.5Å; Q170-S174 PolarHBondContact O-N 3.01Å
171	I	77.8	Confident	71.6	Confident	101 Å²	101	121.1 Å²	121.1	52%	0.518	59%	0.593	S	S	.	*	H	α-helix	trans	-62.5	-45	175.9	-68.9	166.4	0	0	0	110.3	A167 K168 E169 W173 S174 L175	A167-I171 VanDerWaalsContact O-CG1 3.26Å; A167-I171 WeakPolarHBondContact O-CG1 3.38Å; A167-I171 PolarHBondContact O-N 3.1Å; K168-I171 PolarHBondContact O-N 2.71Å; E169-I171 VanDerWaalsContact C-N 3.34Å; E169-I171 PolarHBondContact O-N 2.69Å; I171-W173 VanDerWaalsContact C-N 3.35Å; I171-W173 PolarHBondContact O-N 3.35Å; I171-S174 WeakPolarHBondContact CA-OG 3.44Å; I171-S174 PolarHBondContact O-N 3.31Å; I171-S174 VanDerWaalsContact O-N 3.16Å; I171-S174 PolarHBondContact O-OG 3.07Å; I171-L175 HydrophobicContact CG2-CD1 4.07Å; I171-L175 HydrophobicContact CG2-CG 4.49Å; I171-L175 WeakPolarHBondContact O-CG 3.23Å; I171-L175 PolarHBondContact O-N 3.21Å
172	K	79.1	Confident	72	Confident	140 Å²	140	123.8 Å²	123.8	61%	0.609	60%	0.596	S	S	*	*	H	α-helix	trans	-59.5	-43.7	177.6	-172.5	-176.6	177.5	-173.4	0	112	K168 E169 L175 L176	K168-K172 WeakPolarHBondContact O-CB 3.24Å; K168-K172 PolarHBondContact O-N 2.99Å; E169-K172 WeakPolarHBondContact O-CB 3.49Å; E169-K172 PolarHBondContact O-N 3.43Å; K172-L175 PolarHBondContact O-N 3.12Å; K172-L176 HydrophobicContact CG-CD1 4.23Å; K172-L176 WeakPolarHBondContact O-CG 3.42Å; K172-L176 PolarHBondContact O-N 3.15Å
173	W	67.9	Low	72.5	Confident	195 Å²	195	125.3 Å²	125.3	74%	0.739	60%	0.604	S	S	*	*	H	α-helix	trans	-66.2	-36	175.4	-78	107.8	0	0	0	112.7	E169 Q170 I171 L175 L176	E169-W173 PolarHBondContact O-N 2.92Å; Q170-W173 PolarHBondContact O-N 3.2Å; I171-W173 VanDerWaalsContact C-N 3.35Å; I171-W173 PolarHBondContact O-N 3.35Å; W173-L175 VanDerWaalsContact C-N 3.32Å; W173-L175 PolarHBondContact O-N 3.11Å; W173-L176 PolarHBondContact O-N 2.7Å
174	S	75.5	Confident	73.1	Confident	76 Å²	76	128.3 Å²	128.3	53%	0.531	61%	0.611	S	S	.	*	H	α-helix	trans	-68.4	-28.1	176.9	74.3	0	0	0	0	113.9	Q170 I171	Q170-S174 WeakPolarHBondContact O-CB 3.5Å; Q170-S174 PolarHBondContact O-N 3.01Å; I171-S174 WeakPolarHBondContact CA-OG 3.44Å; I171-S174 PolarHBondContact O-N 3.31Å; I171-S174 VanDerWaalsContact O-N 3.16Å; I171-S174 PolarHBondContact O-OG 3.07Å
175	L	74.4	Confident	73.2	Confident	136 Å²	136	130.5 Å²	130.5	71%	0.712	62%	0.618	S	S	*	*	H	α-helix	trans	-84.5	-19.2	178	-69.7	173.5	0	0	0	113.7	I171 K172 W173 R177	I171-L175 HydrophobicContact CG2-CD1 4.07Å; I171-L175 HydrophobicContact CG2-CG 4.49Å; I171-L175 WeakPolarHBondContact O-CG 3.23Å; I171-L175 PolarHBondContact O-N 3.21Å; K172-L175 PolarHBondContact O-N 3.12Å; W173-L175 VanDerWaalsContact C-N 3.32Å; W173-L175 PolarHBondContact O-N 3.11Å; L175-R177 VanDerWaalsContact C-N 3.28Å
176	L	71.6	Confident	73.2	Confident	129 Å²	129	130.8 Å²	130.8	68%	0.675	62%	0.621	S	S	*	*			trans	-85.5	0.4	178.4	-75.3	166.5	0	0	0	113.1	K172 W173	K172-L176 HydrophobicContact CG-CD1 4.23Å; K172-L176 WeakPolarHBondContact O-CG 3.42Å; K172-L176 PolarHBondContact O-N 3.15Å; W173-L176 PolarHBondContact O-N 2.7Å
177	R	54.8	Low	73.1	Confident	283 Å²	283	137.5 Å²	137.5	100%	1.068	64%	0.641	S	S	*	*			trans	-110.9	0	176.6	-159	-178	-172	-147.1	1.8	110.3	L175	L175-R177 VanDerWaalsContact C-N 3.28Å

Retrieved 177 of 177 residues in 85.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).