A0A3Q0KPR5_SCHMA Loading...

3-hydroxyacyl-CoA dehydrogenase

AlphaFold DB , UniProt , Accession A0A3Q0KPR5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 259 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	67.7	Low	89.6	Confident	81 Å²	81	48.4 Å²	48.4	40%	0.399	30%	0.297	S	S	.	.				0	162.7	0	173.8	-93.7	-70.8	0	0	109.8	A3 D136 Q239 P241	M1-A3 VanDerWaalsContact C-N 3.26Å; M1-A3 PolarHBondContact O-N 3.38Å; M1-D136 WeakPolarHBondContact CA-OD2 3.13Å; M1-D136 PolarHBondContact N-OD2 3Å; M1-Q239 WeakPolarHBondContact CE-O 3.48Å; M1-P241 HydrophobicContact CB-CB 4.35Å; M1-P241 HydrophobicContact CG-CB 4.38Å
2	F	76.9	Confident	90.3	Very high	34 Å²	34	44.3 Å²	44.3	15%	0.149	27%	0.272	C	S	.	.			trans	-70.9	79.4	-179.9	-53.1	-45	0	0	0	111.8	S4 L5 L8 H80 I81 V143 L238	F2-S4 PolarHBondContact O-N 3.18Å; F2-S4 VanDerWaalsContact O-N 3.08Å; F2-L5 HydrophobicContact CB-CD2 3.77Å; F2-L5 HydrophobicContact CD2-CD2 3.93Å; F2-L5 HydrophobicContact CG-CD2 4.13Å; F2-L8 HydrophobicContact CB-CD1 3.74Å; F2-L8 HydrophobicContact CD1-CD1 3.13Å; F2-L8 HydrophobicContact CD1-CD2 4.02Å; F2-L8 HydrophobicContact CD1-CG 4.2Å; F2-L8 HydrophobicContact CD2-CD1 3.63Å; F2-L8 HydrophobicContact CE1-CD1 3.54Å; F2-L8 HydrophobicContact CE1-CD2 4.03Å; F2-L8 HydrophobicContact CE1-CG 4.44Å; F2-L8 HydrophobicContact CE2-CD1 4Å; F2-L8 HydrophobicContact CG-CD1 3.2Å; F2-L8 HydrophobicContact CZ-CD1 3.97Å; F2-H80 HydrophobicContact CE1-CB 4.21Å; F2-H80 HydrophobicContact CE2-CB 4.44Å; F2-H80 HydrophobicContact CZ-CB 3.7Å; F2-I81 HydrophobicContact CD2-CD1 4.46Å; F2-I81 HydrophobicContact CE2-CD1 4.19Å; F2-I81 HydrophobicContact CE2-CG1 3.89Å; F2-V143 HydrophobicContact CE2-CG2 4.07Å; F2-L238 HydrophobicContact CE2-CD2 4.41Å
3	A	75.9	Confident	91	Very high	105 Å²	105	41 Å²	41	87%	0.868	25%	0.252	S	S	*	.	S	Bend	trans	-54.6	-25	169	0	0	0	0	0	111.7	M1	M1-A3 VanDerWaalsContact C-N 3.26Å; M1-A3 PolarHBondContact O-N 3.38Å
4	S	89.1	Confident	91.5	Very high	74 Å²	74	38.6 Å²	38.6	52%	0.517	24%	0.239	S	C	.	.			trans	-140.2	145.3	167.2	-174.3	0	0	0	0	109.9	F2 K6	F2-S4 PolarHBondContact O-N 3.18Å; F2-S4 VanDerWaalsContact O-N 3.08Å; S4-K6 WeakPolarHBondContact OG-CB 3.45Å; S4-K6 PolarHBondContact OG-N 2.92Å
5	L	93.9	Very high	91.9	Very high	5 Å²	5	36 Å²	36	3%	0.026	22%	0.223	C	C	.	.			trans	-87.9	-7.3	170.8	-64.5	-175	0	0	0	112.9	F2 G7 L8 L27 E30 C32 I81 M235 L238	F2-L5 HydrophobicContact CB-CD2 3.77Å; F2-L5 HydrophobicContact CD2-CD2 3.93Å; F2-L5 HydrophobicContact CG-CD2 4.13Å; L5-G7 PolarHBondContact O-N 3.08Å; L5-L8 HydrophobicContact CD2-CD1 3.76Å; L5-L8 WeakPolarHBondContact O-CB 3.49Å; L5-L8 WeakPolarHBondContact O-CG 3.05Å; L5-L8 PolarHBondContact O-N 3.23Å; L5-L27 HydrophobicContact CD1-CD2 4.32Å; L5-E30 HydrophobicContact CB-CB 3.95Å; L5-E30 HydrophobicContact CD1-CB 3.84Å; L5-E30 HydrophobicContact CD1-CG 4.13Å; L5-E30 HydrophobicContact CG-CB 4.42Å; L5-C32 PolarHBondContact O-SG 3.14Å; L5-I81 HydrophobicContact CD2-CD1 4.14Å; L5-M235 HydrophobicContact CD1-CE 4.46Å; L5-M235 HydrophobicContact CD1-SD 3.56Å; L5-M235 VanDerWaalsContact CD1-SD 3.56Å; L5-L238 HydrophobicContact CD1-CD1 4.17Å; L5-L238 HydrophobicContact CD2-CD1 4.25Å
6	K	95.2	Very high	92.2	Very high	164 Å²	164	34.3 Å²	34.3	71%	0.713	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	125.1	-177	-172.8	177.8	-179.4	179.5	0	111.2	S4 L8 E30 G31	S4-K6 WeakPolarHBondContact OG-CB 3.45Å; S4-K6 PolarHBondContact OG-N 2.92Å; K6-L8 PolarHBondContact O-N 2.79Å; K6-E30 PolarHBondContact N-O 2.56Å; K6-G31 WeakPolarHBondContact CA-O 2.88Å
7	G	94.2	Very high	92.4	Very high	46 Å²	46	36.1 Å²	36.1	47%	0.474	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-3.6	179.5	0	0	0	0	0	114.7	L5 G31	L5-G7 PolarHBondContact O-N 3.08Å; G7-G31 PolarHBondContact N-O 3.05Å
8	L	96.6	Very high	92.5	Very high	22 Å²	22	35.5 Å²	35.5	12%	0.115	23%	0.229	C	C	.	.			trans	-69.2	171	169.1	-57.9	-174.9	0	0	0	110.4	F2 L5 K6 C32 N33 H80	F2-L8 HydrophobicContact CB-CD1 3.74Å; F2-L8 HydrophobicContact CD1-CD1 3.13Å; F2-L8 HydrophobicContact CD1-CD2 4.02Å; F2-L8 HydrophobicContact CD1-CG 4.2Å; F2-L8 HydrophobicContact CD2-CD1 3.63Å; F2-L8 HydrophobicContact CE1-CD1 3.54Å; F2-L8 HydrophobicContact CE1-CD2 4.03Å; F2-L8 HydrophobicContact CE1-CG 4.44Å; F2-L8 HydrophobicContact CE2-CD1 4Å; F2-L8 HydrophobicContact CG-CD1 3.2Å; F2-L8 HydrophobicContact CZ-CD1 3.97Å; L5-L8 HydrophobicContact CD2-CD1 3.76Å; L5-L8 WeakPolarHBondContact O-CB 3.49Å; L5-L8 WeakPolarHBondContact O-CG 3.05Å; L5-L8 PolarHBondContact O-N 3.23Å; K6-L8 PolarHBondContact O-N 2.79Å; L8-C32 WeakPolarHBondContact O-CA 3.38Å; L8-N33 PolarHBondContact O-N 3.02Å; L8-H80 HydrophobicContact CB-CB 4.37Å
9	S	98.2	Very high	92.7	Very high	1 Å²	1	35 Å²	35	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.4	-171.6	-55.5	0	0	0	0	109.6	N33 F76 K78 H80 I81	S9-N33 CarbonylContact C-O 3.54Å; S9-N33 VanDerWaalsContact CA-O 3.3Å; S9-N33 WeakPolarHBondContact CA-O 3.32Å; S9-F76 VanDerWaalsContact OG-CB 3.32Å; S9-F76 WeakPolarHBondContact OG-CB 3.48Å; S9-K78 WeakPolarHBondContact CB-O 3.38Å; S9-H80 PolarHBondContact N-ND1 2.84Å; S9-H80 PolarHBondContact O-N 2.79Å; S9-I81 PolarHBondContact O-N 3.17Å; S9-I81 VanDerWaalsContact O-N 3.14Å
10	A	98.6	Very high	92.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.9	-174.4	0	0	0	0	0	111.5	L27 N33 V34 L35 I81	A10-L27 HydrophobicContact CB-CD1 3.85Å; A10-N33 PolarHBondContact N-O 2.9Å; A10-V34 HydrophobicContact CB-CG2 4.4Å; A10-V34 WeakPolarHBondContact O-CA 3.49Å; A10-L35 PolarHBondContact O-N 3.03Å; A10-I81 CarbonylContact C-O 3.54Å; A10-I81 WeakPolarHBondContact CA-O 3.14Å; A10-I81 HydrophobicContact CB-CB 3.78Å; A10-I81 HydrophobicContact CB-CG2 4.14Å
11	I	98.9	Very high	93.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.8	160.1	-66.6	172.1	0	0	0	107.6	T13 L35 V69 A72 L79 I81 L82 V83 M122	I11-T13 HydrophobicContact CG2-CG2 4.28Å; I11-L35 WeakPolarHBondContact CA-O 3.34Å; I11-L35 HydrophobicContact CD1-CD2 4.48Å; I11-L35 HydrophobicContact CG1-CB 4.15Å; I11-L35 HydrophobicContact CG1-CD2 4.19Å; I11-V69 HydrophobicContact CD1-CG2 4.08Å; I11-A72 HydrophobicContact CD1-CB 3.85Å; I11-A72 HydrophobicContact CG1-CB 4Å; I11-L79 HydrophobicContact CB-CD1 4.37Å; I11-L79 HydrophobicContact CD1-CD1 4.04Å; I11-L79 HydrophobicContact CD1-CD2 3.69Å; I11-L79 HydrophobicContact CG1-CD1 3.73Å; I11-L79 HydrophobicContact CG1-CD2 4.31Å; I11-I81 PolarHBondContact N-O 3.23Å; I11-L82 HydrophobicContact CB-CD1 3.9Å; I11-L82 HydrophobicContact CG2-CD1 3.83Å; I11-V83 PolarHBondContact O-N 3.33Å; I11-M122 HydrophobicContact CG2-CE 3.85Å
12	V	98.9	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.5	172.1	-175.5	0	0	0	0	108.9	T23 L27 V34 L35 C37 V83	V12-T23 HydrophobicContact CG2-CG2 4.31Å; V12-L27 HydrophobicContact CG2-CD1 3.66Å; V12-V34 HydrophobicContact CB-CG1 4.38Å; V12-V34 HydrophobicContact CG2-CG1 3.83Å; V12-L35 PolarHBondContact N-O 2.9Å; V12-C37 PolarHBondContact O-N 3.38Å; V12-V83 WeakPolarHBondContact CA-O 3.34Å; V12-V83 HydrophobicContact CG2-CB 4.37Å
13	T	98.8	Very high	95.6	Very high	1 Å²	1	28 Å²	28	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	145	174.5	75.9	0	0	0	0	110.2	I11 G15 C37 V59 L82 V83 N84 C85 A86 M122	I11-T13 HydrophobicContact CG2-CG2 4.28Å; T13-G15 PolarHBondContact O-N 3.45Å; T13-C37 CarbonylContact C-O 3.52Å; T13-C37 VanDerWaalsContact CA-O 3.3Å; T13-C37 WeakPolarHBondContact CA-O 3.45Å; T13-C37 HydrophobicContact CG2-CB 4.23Å; T13-V59 HydrophobicContact CG2-CG1 3.89Å; T13-L82 HydrophobicContact CG2-CD1 4.43Å; T13-V83 PolarHBondContact N-O 2.93Å; T13-N84 VanDerWaalsContact OG1-CA 3.28Å; T13-N84 WeakPolarHBondContact OG1-CA 3.48Å; T13-C85 CarbonylContact O-C 3.44Å; T13-C85 VanDerWaalsContact O-CA 3.29Å; T13-C85 WeakPolarHBondContact O-CA 3.42Å; T13-C85 WeakPolarHBondContact O-CB 3.43Å; T13-C85 PolarHBondContact O-N 3.5Å; T13-C85 VanDerWaalsContact O-N 3.08Å; T13-C85 PolarHBondContact OG1-N 3.29Å; T13-A86 PolarHBondContact O-N 3.02Å; T13-A86 VanDerWaalsContact O-N 3.08Å; T13-A86 WeakPolarHBondContact OG1-CB 3.47Å; T13-A86 PolarHBondContact OG1-N 3.03Å; T13-A86 VanDerWaalsContact OG1-N 3.11Å; T13-M122 HydrophobicContact CG2-CE 3.97Å; T13-M122 HydrophobicContact CG2-CG 3.98Å; T13-M122 HydrophobicContact CG2-SD 4.46Å
14	G	97.9	Very high	96.7	Very high	7 Å²	7	23 Å²	23	7%	0.072	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	21.6	-168	0	0	0	0	0	112.2	S16 S17 G20 C37 D38	G14-S16 PolarHBondContact O-N 3Å; G14-S17 PolarHBondContact O-N 3.26Å; G14-G20 WeakPolarHBondContact O-CA 3.47Å; G14-C37 PolarHBondContact N-O 3.21Å; G14-D38 WeakPolarHBondContact CA-OD2 3.21Å
15	G	97.9	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-3	-169.3	0	0	0	0	0	114.7	T13 L21 T24 C37 D38	T13-G15 PolarHBondContact O-N 3.45Å; G15-L21 VanDerWaalsContact O-CA 3.31Å; G15-L21 WeakPolarHBondContact O-CA 3.37Å; G15-T24 PolarHBondContact O-OG1 3.39Å; G15-C37 PolarHBondContact N-O 3Å; G15-D38 PolarHBondContact N-OD2 3.25Å
16	S	96.7	Very high	97.4	Very high	8 Å²	8	26.7 Å²	26.7	6%	0.056	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-13.2	178	-69.5	0	0	0	0	113.3	G14 D38 Q40 S42 L45	G14-S16 PolarHBondContact O-N 3Å; S16-D38 WeakPolarHBondContact CB-OD2 3.29Å; S16-D38 PolarHBondContact N-OD2 2.97Å; S16-D38 WeakPolarHBondContact OG-CB 3.41Å; S16-Q40 VanDerWaalsContact CB-O 3.23Å; S16-Q40 WeakPolarHBondContact CB-O 3.35Å; S16-Q40 PolarHBondContact OG-O 3.48Å; S16-S42 WeakPolarHBondContact O-CB 3.34Å; S16-S42 PolarHBondContact O-OG 3.03Å; S16-S42 PolarHBondContact OG-N 2.92Å; S16-L45 WeakPolarHBondContact OG-CD1 3.37Å
17	S	95.1	Very high	97.5	Very high	65 Å²	65	18.9 Å²	18.9	46%	0.455	12%	0.119	S	C	.	.	S	Bend	trans	-145.4	164.3	-176.5	72.1	0	0	0	0	114.2	G14 L19 G20 L21	G14-S17 PolarHBondContact O-N 3.26Å; S17-L19 PolarHBondContact O-N 2.87Å; S17-G20 PolarHBondContact O-N 3.31Å; S17-G20 VanDerWaalsContact O-N 3.16Å; S17-L21 PolarHBondContact O-N 3.45Å
18	G	94.2	Very high	97.7	Very high	26 Å²	26	17.9 Å²	17.9	27%	0.268	10%	0.102	S	C	.	.	H	α-helix	trans	50	-127.9	170.8	0	0	0	0	0	114.2	L21 A22	G18-L21 PolarHBondContact O-N 2.7Å; G18-A22 PolarHBondContact O-N 3.38Å
19	L	96.9	Very high	97.7	Very high	26 Å²	26	20.7 Å²	20.7	14%	0.136	13%	0.129	C	C	.	.	H	α-helix	trans	-65.3	-37.8	-178.3	-52.2	-175.7	0	0	0	112.6	S17 T23 T147 P192 L195 T197 P227 F230	S17-L19 PolarHBondContact O-N 2.87Å; L19-T23 WeakPolarHBondContact O-CB 3.44Å; L19-T23 PolarHBondContact O-N 3.35Å; L19-T23 PolarHBondContact O-OG1 3.11Å; L19-T147 HydrophobicContact CD1-CG2 4.18Å; L19-P192 HydrophobicContact CD1-CG 4.15Å; L19-L195 HydrophobicContact CD1-CD1 4.01Å; L19-L195 HydrophobicContact CD2-CB 4.14Å; L19-L195 HydrophobicContact CD2-CD1 3.45Å; L19-L195 VanDerWaalsContact CD2-CD1 3.45Å; L19-L195 HydrophobicContact CD2-CG 4.45Å; L19-L195 HydrophobicContact CG-CD1 4.38Å; L19-T197 HydrophobicContact CD2-CG2 3.61Å; L19-T197 HydrophobicContact CG-CG2 3.98Å; L19-P227 HydrophobicContact CD2-CB 4.16Å; L19-P227 HydrophobicContact CD2-CG 4.43Å; L19-F230 HydrophobicContact CB-CD1 3.83Å; L19-F230 HydrophobicContact CB-CE1 4.1Å; L19-F230 HydrophobicContact CB-CG 4.09Å; L19-F230 HydrophobicContact CD1-CD2 3.87Å; L19-F230 HydrophobicContact CD1-CE2 4.07Å; L19-F230 HydrophobicContact CD1-CG 4.13Å; L19-F230 HydrophobicContact CD2-CB 3.97Å; L19-F230 HydrophobicContact CD2-CG 4.2Å; L19-F230 HydrophobicContact CG-CG 4.35Å
20	G	97.6	Very high	97.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-44.4	177.7	0	0	0	0	0	111.2	G14 S17 A22 T23 T24	G14-G20 WeakPolarHBondContact O-CA 3.47Å; S17-G20 PolarHBondContact O-N 3.31Å; S17-G20 VanDerWaalsContact O-N 3.16Å; G20-A22 PolarHBondContact O-N 3.19Å; G20-T23 CarbonylContact O-C 3.55Å; G20-T23 WeakPolarHBondContact O-CB 3.47Å; G20-T23 PolarHBondContact O-N 3.32Å; G20-T24 PolarHBondContact O-N 3.34Å; G20-T24 PolarHBondContact O-OG1 2.77Å
21	L	97.5	Very high	97.6	Very high	30 Å²	30	25.2 Å²	25.2	16%	0.157	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-43.5	177	178.3	60.9	0	0	0	112.9	G15 S17 G18 T23 T24 K25 V44 L45	G15-L21 VanDerWaalsContact O-CA 3.31Å; G15-L21 WeakPolarHBondContact O-CA 3.37Å; S17-L21 PolarHBondContact O-N 3.45Å; G18-L21 PolarHBondContact O-N 2.7Å; L21-T23 PolarHBondContact O-N 3.25Å; L21-T24 WeakPolarHBondContact O-CB 3.35Å; L21-T24 PolarHBondContact O-N 2.93Å; L21-K25 HydrophobicContact CD1-CG 4.28Å; L21-K25 HydrophobicContact CG-CD 4.5Å; L21-K25 WeakPolarHBondContact O-CG 3.23Å; L21-K25 PolarHBondContact O-N 2.61Å; L21-V44 HydrophobicContact CD1-CG1 3.55Å; L21-V44 HydrophobicContact CD2-CG1 3.84Å; L21-V44 HydrophobicContact CG-CG1 4.33Å; L21-L45 HydrophobicContact CD1-CD2 3.9Å
22	A	97.8	Very high	97.5	Very high	6 Å²	6	25.2 Å²	25.2	5%	0.05	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-37.4	175.7	0	0	0	0	0	111.4	G18 G20 K26 P227	G18-A22 PolarHBondContact O-N 3.38Å; G20-A22 PolarHBondContact O-N 3.19Å; A22-K26 WeakPolarHBondContact O-CB 3.39Å; A22-K26 PolarHBondContact O-N 3.16Å; A22-P227 HydrophobicContact CB-CB 3.5Å; A22-P227 WeakPolarHBondContact CB-O 3.4Å
23	T	98.6	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-46.3	174.8	-56.3	0	0	0	0	112	V12 L19 G20 L21 K25 K26 L27 V83 V234	V12-T23 HydrophobicContact CG2-CG2 4.31Å; L19-T23 WeakPolarHBondContact O-CB 3.44Å; L19-T23 PolarHBondContact O-N 3.35Å; L19-T23 PolarHBondContact O-OG1 3.11Å; G20-T23 CarbonylContact O-C 3.55Å; G20-T23 WeakPolarHBondContact O-CB 3.47Å; G20-T23 PolarHBondContact O-N 3.32Å; L21-T23 PolarHBondContact O-N 3.25Å; T23-K25 PolarHBondContact O-N 3.15Å; T23-K26 PolarHBondContact O-N 3.28Å; T23-L27 HydrophobicContact CG2-CD1 3.86Å; T23-L27 HydrophobicContact CG2-CG 4.36Å; T23-L27 WeakPolarHBondContact O-CB 3.32Å; T23-L27 WeakPolarHBondContact O-CG 3.41Å; T23-L27 PolarHBondContact O-N 3.23Å; T23-V83 HydrophobicContact CG2-CB 4.23Å; T23-V83 HydrophobicContact CG2-CG1 4.12Å; T23-V83 HydrophobicContact CG2-CG2 4.02Å; T23-V234 HydrophobicContact CG2-CG1 4.1Å; T23-V234 HydrophobicContact CG2-CG2 4.28Å
24	T	98.6	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-54.1	-52.7	174.5	-61.9	0	0	0	0	110.6	G15 G20 L21 K26 L27 I28 V34 V36 L45 L48	G15-T24 PolarHBondContact O-OG1 3.39Å; G20-T24 PolarHBondContact O-N 3.34Å; G20-T24 PolarHBondContact O-OG1 2.77Å; L21-T24 WeakPolarHBondContact O-CB 3.35Å; L21-T24 PolarHBondContact O-N 2.93Å; T24-K26 VanDerWaalsContact C-N 3.33Å; T24-K26 PolarHBondContact O-N 3.49Å; T24-L27 PolarHBondContact O-N 3.39Å; T24-I28 WeakPolarHBondContact O-CG1 3.34Å; T24-I28 PolarHBondContact O-N 2.71Å; T24-V34 HydrophobicContact CG2-CG1 4.08Å; T24-V36 HydrophobicContact CG2-CG2 3.47Å; T24-V36 VanDerWaalsContact CG2-CG2 3.47Å; T24-L45 HydrophobicContact CG2-CD2 4.11Å; T24-L48 HydrophobicContact CG2-CD1 3.79Å
25	K	98.2	Very high	97.5	Very high	90 Å²	90	26.3 Å²	26.3	39%	0.391	16%	0.16	S	C	.	.	H	α-helix	trans	-58.2	-45.2	179.2	-74.5	-176.3	172.1	-168.6	0	111.9	L21 T23 A29 L48	L21-K25 HydrophobicContact CD1-CG 4.28Å; L21-K25 HydrophobicContact CG-CD 4.5Å; L21-K25 WeakPolarHBondContact O-CG 3.23Å; L21-K25 PolarHBondContact O-N 2.61Å; T23-K25 PolarHBondContact O-N 3.15Å; K25-A29 WeakPolarHBondContact O-CB 3.38Å; K25-A29 PolarHBondContact O-N 2.96Å; K25-L48 HydrophobicContact CG-CD1 4.22Å; K25-L48 HydrophobicContact CG-CD2 4.08Å
26	K	98.2	Very high	97.5	Very high	67 Å²	67	26.3 Å²	26.3	29%	0.291	16%	0.16	S	C	.	.	H	α-helix	trans	-64.6	-46.1	-180	-174	55.4	170.2	162.9	0	111.8	A22 T23 T24 I28 A29 E30 M235	A22-K26 WeakPolarHBondContact O-CB 3.39Å; A22-K26 PolarHBondContact O-N 3.16Å; T23-K26 PolarHBondContact O-N 3.28Å; T24-K26 VanDerWaalsContact C-N 3.33Å; T24-K26 PolarHBondContact O-N 3.49Å; K26-I28 PolarHBondContact O-N 3.01Å; K26-A29 PolarHBondContact O-N 3.17Å; K26-E30 HydrophobicContact CD-CG 4.42Å; K26-E30 WeakPolarHBondContact CE-OE1 3.37Å; K26-E30 IonicContact NZ-OE1 2.68Å; K26-E30 PolarHBondContact NZ-OE1 2.9Å; K26-E30 VanDerWaalsContact O-CG 3.31Å; K26-E30 WeakPolarHBondContact O-CG 3.33Å; K26-E30 PolarHBondContact O-N 2.97Å; K26-M235 HydrophobicContact CD-CG 4.42Å; K26-M235 HydrophobicContact CG-CE 3.98Å; K26-M235 HydrophobicContact CG-CG 3.82Å; K26-M235 HydrophobicContact CG-SD 3.91Å
27	L	98.4	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-45	177.4	-74.5	167.3	0	0	0	112.3	L5 A10 V12 T23 T24 A29 E30 G31 C32 V34 I81 M235 L238	L5-L27 HydrophobicContact CD1-CD2 4.32Å; A10-L27 HydrophobicContact CB-CD1 3.85Å; V12-L27 HydrophobicContact CG2-CD1 3.66Å; T23-L27 HydrophobicContact CG2-CD1 3.86Å; T23-L27 HydrophobicContact CG2-CG 4.36Å; T23-L27 WeakPolarHBondContact O-CB 3.32Å; T23-L27 WeakPolarHBondContact O-CG 3.41Å; T23-L27 PolarHBondContact O-N 3.23Å; T24-L27 PolarHBondContact O-N 3.39Å; L27-A29 VanDerWaalsContact C-N 3.34Å; L27-A29 PolarHBondContact O-N 3.42Å; L27-E30 PolarHBondContact O-N 3.12Å; L27-G31 PolarHBondContact O-N 3.02Å; L27-C32 HydrophobicContact CB-CB 4.07Å; L27-C32 VanDerWaalsContact O-CB 3.29Å; L27-C32 WeakPolarHBondContact O-CB 3.43Å; L27-C32 PolarHBondContact O-N 3.22Å; L27-V34 HydrophobicContact CB-CG2 3.59Å; L27-V34 HydrophobicContact CD1-CG2 4.3Å; L27-I81 HydrophobicContact CD2-CD1 4.17Å; L27-M235 HydrophobicContact CD2-CE 3.79Å; L27-M235 HydrophobicContact CG-CE 4.1Å; L27-L238 HydrophobicContact CD2-CD1 4.05Å
28	I	98	Very high	97.8	Very high	26 Å²	26	24.2 Å²	24.2	13%	0.133	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-44.9	175.5	-69.1	-62.2	0	0	0	111	T24 K26 E30 G31 C32 V34 L48 N51 C52	T24-I28 WeakPolarHBondContact O-CG1 3.34Å; T24-I28 PolarHBondContact O-N 2.71Å; K26-I28 PolarHBondContact O-N 3.01Å; I28-E30 PolarHBondContact O-N 2.9Å; I28-G31 WeakPolarHBondContact O-CA 3.11Å; I28-G31 PolarHBondContact O-N 2.73Å; I28-C32 WeakPolarHBondContact CD1-O 3.36Å; I28-V34 HydrophobicContact CD1-CB 3.79Å; I28-V34 HydrophobicContact CD1-CG2 3.63Å; I28-V34 HydrophobicContact CG1-CB 4.24Å; I28-V34 HydrophobicContact CG1-CG2 3.92Å; I28-L48 HydrophobicContact CG2-CB 4.47Å; I28-N51 HydrophobicContact CD1-CB 3.91Å; I28-N51 WeakPolarHBondContact CD1-O 3.36Å; I28-C52 HydrophobicContact CD1-CB 3.95Å; I28-C52 HydrophobicContact CG1-CB 4.33Å
29	A	97.1	Very high	98	Very high	81 Å²	81	27.9 Å²	27.9	67%	0.669	16%	0.156	S	C	*	.	H	α-helix	trans	-62.5	-31	179	0	0	0	0	0	113	K25 K26 L27 G31	K25-A29 WeakPolarHBondContact O-CB 3.38Å; K25-A29 PolarHBondContact O-N 2.96Å; K26-A29 PolarHBondContact O-N 3.17Å; L27-A29 VanDerWaalsContact C-N 3.34Å; L27-A29 PolarHBondContact O-N 3.42Å; A29-G31 PolarHBondContact O-N 3.46Å
30	E	97	Very high	97.9	Very high	72 Å²	72	34 Å²	34	34%	0.336	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	3.6	174.3	-61	-65.9	155.9	0	0	113.2	L5 K6 K26 L27 I28 M235	L5-E30 HydrophobicContact CB-CB 3.95Å; L5-E30 HydrophobicContact CD1-CB 3.84Å; L5-E30 HydrophobicContact CD1-CG 4.13Å; L5-E30 HydrophobicContact CG-CB 4.42Å; K6-E30 PolarHBondContact N-O 2.56Å; K26-E30 HydrophobicContact CD-CG 4.42Å; K26-E30 WeakPolarHBondContact CE-OE1 3.37Å; K26-E30 IonicContact NZ-OE1 2.68Å; K26-E30 PolarHBondContact NZ-OE1 2.9Å; K26-E30 VanDerWaalsContact O-CG 3.31Å; K26-E30 WeakPolarHBondContact O-CG 3.33Å; K26-E30 PolarHBondContact O-N 2.97Å; L27-E30 PolarHBondContact O-N 3.12Å; I28-E30 PolarHBondContact O-N 2.9Å; E30-M235 HydrophobicContact CG-SD 4.14Å
31	G	96.6	Very high	97.9	Very high	23 Å²	23	39.1 Å²	39.1	24%	0.237	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	14.8	175.5	0	0	0	0	0	115.4	K6 G7 L27 I28 A29	K6-G31 WeakPolarHBondContact CA-O 2.88Å; G7-G31 PolarHBondContact N-O 3.05Å; L27-G31 PolarHBondContact O-N 3.02Å; I28-G31 WeakPolarHBondContact O-CA 3.11Å; I28-G31 PolarHBondContact O-N 2.73Å; A29-G31 PolarHBondContact O-N 3.46Å
32	C	97.8	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.			trans	-70.8	152.7	170.3	-78.3	0	0	0	0	111.6	L5 L8 L27 I28 V34	L5-C32 PolarHBondContact O-SG 3.14Å; L8-C32 WeakPolarHBondContact O-CA 3.38Å; L27-C32 HydrophobicContact CB-CB 4.07Å; L27-C32 VanDerWaalsContact O-CB 3.29Å; L27-C32 WeakPolarHBondContact O-CB 3.43Å; L27-C32 PolarHBondContact O-N 3.22Å; I28-C32 WeakPolarHBondContact CD1-O 3.36Å; C32-V34 HydrophobicContact CB-CG2 4.1Å
33	N	98.3	Very high	97.7	Very high	32 Å²	32	44 Å²	44	17%	0.171	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.3	154.5	-60	-47	0	0	0	109	L8 S9 A10 N51 F76	L8-N33 PolarHBondContact O-N 3.02Å; S9-N33 CarbonylContact C-O 3.54Å; S9-N33 VanDerWaalsContact CA-O 3.3Å; S9-N33 WeakPolarHBondContact CA-O 3.32Å; A10-N33 PolarHBondContact N-O 2.9Å; N33-N51 CarbonylContact C-O 3.57Å; N33-N51 WeakPolarHBondContact CA-O 3.48Å; N33-N51 PolarHBondContact OD1-OD1 3.47Å; N33-F76 HydrophobicContact CB-CD1 3.58Å; N33-F76 HydrophobicContact CB-CD2 4.08Å; N33-F76 HydrophobicContact CB-CE1 3.62Å; N33-F76 HydrophobicContact CB-CE2 4.07Å; N33-F76 HydrophobicContact CB-CG 3.84Å; N33-F76 HydrophobicContact CB-CZ 3.85Å
34	V	98.6	Very high	97.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.3	-176.5	-177.5	0	0	0	0	110	A10 V12 T24 L27 I28 C32 V36 N51 C52 V53	A10-V34 HydrophobicContact CB-CG2 4.4Å; A10-V34 WeakPolarHBondContact O-CA 3.49Å; V12-V34 HydrophobicContact CB-CG1 4.38Å; V12-V34 HydrophobicContact CG2-CG1 3.83Å; T24-V34 HydrophobicContact CG2-CG1 4.08Å; L27-V34 HydrophobicContact CB-CG2 3.59Å; L27-V34 HydrophobicContact CD1-CG2 4.3Å; I28-V34 HydrophobicContact CD1-CB 3.79Å; I28-V34 HydrophobicContact CD1-CG2 3.63Å; I28-V34 HydrophobicContact CG1-CB 4.24Å; I28-V34 HydrophobicContact CG1-CG2 3.92Å; C32-V34 HydrophobicContact CB-CG2 4.1Å; V34-V36 HydrophobicContact CG1-CG2 4.05Å; V34-N51 PolarHBondContact N-O 3.22Å; V34-C52 WeakPolarHBondContact O-CA 3.3Å; V34-V53 PolarHBondContact O-N 2.82Å
35	L	98.7	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.5	162.5	-173.6	76.8	0	0	0	108.6	A10 I11 V12 V53 C55 A68 L71 A72 F76	A10-L35 PolarHBondContact O-N 3.03Å; I11-L35 WeakPolarHBondContact CA-O 3.34Å; I11-L35 HydrophobicContact CD1-CD2 4.48Å; I11-L35 HydrophobicContact CG1-CB 4.15Å; I11-L35 HydrophobicContact CG1-CD2 4.19Å; V12-L35 PolarHBondContact N-O 2.9Å; L35-V53 CarbonylContact C-O 3.4Å; L35-V53 WeakPolarHBondContact CA-O 3.29Å; L35-V53 HydrophobicContact CD1-CB 3.79Å; L35-V53 HydrophobicContact CD1-CG1 3.58Å; L35-C55 HydrophobicContact CD1-CB 4.19Å; L35-C55 HydrophobicContact CD2-CB 4.43Å; L35-C55 HydrophobicContact CG-CB 4.46Å; L35-A68 HydrophobicContact CD2-CB 4.18Å; L35-A68 WeakPolarHBondContact CD2-O 3.5Å; L35-L71 HydrophobicContact CD1-CD2 3.92Å; L35-L71 HydrophobicContact CD1-CG 4.22Å; L35-A72 HydrophobicContact CB-CB 4.48Å; L35-A72 HydrophobicContact CD2-CB 3.93Å; L35-F76 HydrophobicContact CB-CE2 3.96Å
36	V	98.8	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.5	175.1	178.5	0	0	0	0	109.2	T24 V34 L45 V53 F54 C55	T24-V36 HydrophobicContact CG2-CG2 3.47Å; T24-V36 VanDerWaalsContact CG2-CG2 3.47Å; V34-V36 HydrophobicContact CG1-CG2 4.05Å; V36-L45 HydrophobicContact CB-CD1 4.07Å; V36-L45 HydrophobicContact CG1-CD1 3.66Å; V36-L45 HydrophobicContact CG2-CD1 4.27Å; V36-L45 HydrophobicContact CG2-CD2 4.17Å; V36-V53 PolarHBondContact N-O 3.32Å; V36-F54 HydrophobicContact CB-CD2 4.24Å; V36-F54 HydrophobicContact CG1-CD2 4.04Å; V36-F54 HydrophobicContact CG1-CE2 4.45Å; V36-C55 PolarHBondContact O-N 3.25Å
37	C	98.8	Very high	97.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.3	174.3	-70.4	0	0	0	0	109.2	V12 T13 G14 G15 C55 T57 A68	V12-C37 PolarHBondContact O-N 3.38Å; T13-C37 CarbonylContact C-O 3.52Å; T13-C37 VanDerWaalsContact CA-O 3.3Å; T13-C37 WeakPolarHBondContact CA-O 3.45Å; T13-C37 HydrophobicContact CG2-CB 4.23Å; G14-C37 PolarHBondContact N-O 3.21Å; G15-C37 PolarHBondContact N-O 3Å; C37-C55 WeakPolarHBondContact CA-O 3.35Å; C37-T57 HydrophobicContact CB-CG2 4.2Å; C37-A68 VanDerWaalsContact SG-CB 3.53Å
38	D	98.3	Very high	97.1	Very high	28 Å²	28	51.1 Å²	51.1	15%	0.15	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	167.6	175.2	-144.8	-42.6	0	0	0	109.7	G14 G15 S16 Q40 F54 C55 E56 T57	G14-D38 WeakPolarHBondContact CA-OD2 3.21Å; G15-D38 PolarHBondContact N-OD2 3.25Å; S16-D38 WeakPolarHBondContact CB-OD2 3.29Å; S16-D38 PolarHBondContact N-OD2 2.97Å; S16-D38 WeakPolarHBondContact OG-CB 3.41Å; D38-Q40 VanDerWaalsContact C-N 3.28Å; D38-F54 HydrophobicContact CB-CE2 4.04Å; D38-C55 PolarHBondContact N-O 3Å; D38-E56 CarbonylContact O-C 3.57Å; D38-E56 VanDerWaalsContact O-CA 3.29Å; D38-E56 WeakPolarHBondContact O-CA 3.47Å; D38-T57 PolarHBondContact O-N 3.32Å
39	L	97.7	Very high	96.8	Very high	102 Å²	102	52 Å²	52	53%	0.534	30%	0.303	S	S	.	.	S	Bend	trans	-72.1	-26.6	175.2	-65	176.2	0	0	0	112	D58	L39-D58 HydrophobicContact CD2-CB 3.82Å
40	Q	96.4	Very high	96.6	Very high	155 Å²	155	53.3 Å²	53.3	72%	0.724	31%	0.307	S	S	*	.	S	Bend	trans	-139.4	139.5	-178.7	-62.5	178.7	16.2	0	0	110.5	S16 D38 S42	S16-Q40 VanDerWaalsContact CB-O 3.23Å; S16-Q40 WeakPolarHBondContact CB-O 3.35Å; S16-Q40 PolarHBondContact OG-O 3.48Å; D38-Q40 VanDerWaalsContact C-N 3.28Å; Q40-S42 PolarHBondContact O-N 3.46Å
41	K	97.1	Very high	96.5	Very high	109 Å²	109	52.9 Å²	52.9	47%	0.474	31%	0.307	S	S	.	.			trans	-76.7	120.8	176	-169.6	-179.3	175.9	-175.2	0	110	L45 F54	K41-L45 HydrophobicContact CG-CD1 4.07Å; K41-F54 HydrophobicContact CB-CD1 3.74Å; K41-F54 HydrophobicContact CB-CD2 4.01Å; K41-F54 HydrophobicContact CB-CE1 3.63Å; K41-F54 HydrophobicContact CB-CE2 3.92Å; K41-F54 HydrophobicContact CB-CG 3.94Å; K41-F54 HydrophobicContact CB-CZ 3.73Å; K41-F54 HydrophobicContact CD-CB 4.08Å; K41-F54 HydrophobicContact CD-CD1 4.01Å; K41-F54 HydrophobicContact CD-CG 3.98Å; K41-F54 HydrophobicContact CG-CB 4.17Å; K41-F54 HydrophobicContact CG-CD1 3.91Å; K41-F54 HydrophobicContact CG-CD2 3.89Å; K41-F54 HydrophobicContact CG-CE1 4.31Å; K41-F54 HydrophobicContact CG-CE2 4.3Å; K41-F54 HydrophobicContact CG-CG 3.69Å; K41-F54 HydrophobicContact CG-CZ 4.5Å; K41-F54 VanDerWaalsContact N-CZ 3.34Å
42	S	95.1	Very high	96.6	Very high	28 Å²	28	52.7 Å²	52.7	20%	0.196	30%	0.302	C	S	.	.			trans	-71.5	136.9	170.3	178.9	0	0	0	0	111	S16 Q40 V44 L45	S16-S42 WeakPolarHBondContact O-CB 3.34Å; S16-S42 PolarHBondContact O-OG 3.03Å; S16-S42 PolarHBondContact OG-N 2.92Å; Q40-S42 PolarHBondContact O-N 3.46Å; S42-V44 PolarHBondContact O-N 3.4Å; S42-V44 VanDerWaalsContact O-N 3.16Å; S42-V44 WeakPolarHBondContact OG-CG1 3.31Å; S42-L45 WeakPolarHBondContact O-CB 3.47Å; S42-L45 WeakPolarHBondContact O-CG 3.49Å; S42-L45 PolarHBondContact O-N 3.28Å
43	P	96.2	Very high	96.6	Very high	109 Å²	109	54.1 Å²	54.1	71%	0.708	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-54.5	-35.1	178.8	-27.5	34.9	0	0	0	113.4	L45 S46	P43-L45 PolarHBondContact O-N 3.06Å; P43-L45 VanDerWaalsContact O-N 3.12Å; P43-S46 WeakPolarHBondContact O-CB 3.42Å; P43-S46 PolarHBondContact O-N 3.06Å; P43-S46 VanDerWaalsContact O-N 3.12Å; P43-S46 PolarHBondContact O-OG 3.16Å
44	V	95.9	Very high	96.6	Very high	26 Å²	26	54.9 Å²	54.9	16%	0.158	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-61.4	-22.1	-179.6	78.6	0	0	0	0	113.2	L21 S42 S46 E47	L21-V44 HydrophobicContact CD1-CG1 3.55Å; L21-V44 HydrophobicContact CD2-CG1 3.84Å; L21-V44 HydrophobicContact CG-CG1 4.33Å; S42-V44 PolarHBondContact O-N 3.4Å; S42-V44 VanDerWaalsContact O-N 3.16Å; S42-V44 WeakPolarHBondContact OG-CG1 3.31Å; V44-S46 PolarHBondContact O-N 3.05Å; V44-E47 WeakPolarHBondContact O-CB 3.4Å; V44-E47 PolarHBondContact O-N 2.8Å; V44-E47 VanDerWaalsContact O-N 3.15Å
45	L	96.6	Very high	96.6	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.026	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-66.5	-25.2	179.2	-62.9	-177.1	0	0	0	111.9	S16 L21 T24 V36 K41 S42 P43 E47 L48 F54	S16-L45 WeakPolarHBondContact OG-CD1 3.37Å; L21-L45 HydrophobicContact CD1-CD2 3.9Å; T24-L45 HydrophobicContact CG2-CD2 4.11Å; V36-L45 HydrophobicContact CB-CD1 4.07Å; V36-L45 HydrophobicContact CG1-CD1 3.66Å; V36-L45 HydrophobicContact CG2-CD1 4.27Å; V36-L45 HydrophobicContact CG2-CD2 4.17Å; K41-L45 HydrophobicContact CG-CD1 4.07Å; S42-L45 WeakPolarHBondContact O-CB 3.47Å; S42-L45 WeakPolarHBondContact O-CG 3.49Å; S42-L45 PolarHBondContact O-N 3.28Å; P43-L45 PolarHBondContact O-N 3.06Å; P43-L45 VanDerWaalsContact O-N 3.12Å; L45-E47 PolarHBondContact O-N 3.44Å; L45-L48 HydrophobicContact CD2-CD1 3.79Å; L45-L48 PolarHBondContact O-N 2.72Å; L45-F54 HydrophobicContact CD1-CD2 3.85Å
46	S	94.7	Very high	96.6	Very high	84 Å²	84	61.4 Å²	61.4	59%	0.587	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-68.8	-19.9	176.5	-56.4	0	0	0	0	112.7	P43 V44	P43-S46 WeakPolarHBondContact O-CB 3.42Å; P43-S46 PolarHBondContact O-N 3.06Å; P43-S46 VanDerWaalsContact O-N 3.12Å; P43-S46 PolarHBondContact O-OG 3.16Å; V44-S46 PolarHBondContact O-N 3.05Å
47	E	95.2	Very high	96.6	Very high	157 Å²	157	61.5 Å²	61.5	73%	0.734	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-86.7	-9.8	178.6	-60.4	169.8	-165.3	0	0	112.6	V44 L45 G49	V44-E47 WeakPolarHBondContact O-CB 3.4Å; V44-E47 PolarHBondContact O-N 2.8Å; V44-E47 VanDerWaalsContact O-N 3.15Å; L45-E47 PolarHBondContact O-N 3.44Å; E47-G49 VanDerWaalsContact C-N 3.32Å; E47-G49 PolarHBondContact O-N 3.23Å
48	L	95.7	Very high	96.6	Very high	35 Å²	35	64.2 Å²	64.2	18%	0.183	36%	0.359	C	S	.	.	S	Bend	trans	-86.8	1.3	-174.5	-58.2	-175.1	0	0	0	114.1	T24 K25 I28 L45 C52	T24-L48 HydrophobicContact CG2-CD1 3.79Å; K25-L48 HydrophobicContact CG-CD1 4.22Å; K25-L48 HydrophobicContact CG-CD2 4.08Å; I28-L48 HydrophobicContact CG2-CB 4.47Å; L45-L48 HydrophobicContact CD2-CD1 3.79Å; L45-L48 PolarHBondContact O-N 2.72Å; L48-C52 HydrophobicContact CB-CB 3.74Å
49	G	93.1	Very high	96.6	Very high	45 Å²	45	63.2 Å²	63.2	46%	0.464	35%	0.353	S	S	.	.			trans	76	-175.3	176.7	0	0	0	0	0	114.8	E47 N51 C52	E47-G49 VanDerWaalsContact C-N 3.32Å; E47-G49 PolarHBondContact O-N 3.23Å; G49-N51 PolarHBondContact O-N 3.07Å; G49-C52 PolarHBondContact O-N 3.32Å; G49-C52 VanDerWaalsContact O-N 3.14Å
50	S	92.1	Very high	96.6	Very high	108 Å²	108	58.8 Å²	58.8	76%	0.755	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.5	-170.7	55.8	0	0	0	0	114.8	C52	S50-C52 PolarHBondContact O-N 3.47Å
51	N	95.4	Very high	96.7	Very high	64 Å²	64	52.9 Å²	52.9	34%	0.342	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.7	178.5	-65.3	-5.9	0	0	0	112.1	I28 N33 V34 G49	I28-N51 HydrophobicContact CD1-CB 3.91Å; I28-N51 WeakPolarHBondContact CD1-O 3.36Å; N33-N51 CarbonylContact C-O 3.57Å; N33-N51 WeakPolarHBondContact CA-O 3.48Å; N33-N51 PolarHBondContact OD1-OD1 3.47Å; V34-N51 PolarHBondContact N-O 3.22Å; G49-N51 PolarHBondContact O-N 3.07Å
52	C	98	Very high	96.7	Very high	18 Å²	18	53.3 Å²	53.3	12%	0.122	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	105.3	176	-175.5	0	0	0	0	110.4	I28 V34 L48 G49 S50	I28-C52 HydrophobicContact CD1-CB 3.95Å; I28-C52 HydrophobicContact CG1-CB 4.33Å; V34-C52 WeakPolarHBondContact O-CA 3.3Å; L48-C52 HydrophobicContact CB-CB 3.74Å; G49-C52 PolarHBondContact O-N 3.32Å; G49-C52 VanDerWaalsContact O-N 3.14Å; S50-C52 PolarHBondContact O-N 3.47Å
53	V	97.9	Very high	96.9	Very high	31 Å²	31	55.9 Å²	55.9	19%	0.188	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.2	175.6	-179.1	0	0	0	0	108.8	V34 L35 V36 L71 F76	V34-V53 PolarHBondContact O-N 2.82Å; L35-V53 CarbonylContact C-O 3.4Å; L35-V53 WeakPolarHBondContact CA-O 3.29Å; L35-V53 HydrophobicContact CD1-CB 3.79Å; L35-V53 HydrophobicContact CD1-CG1 3.58Å; V36-V53 PolarHBondContact N-O 3.32Å; V53-L71 HydrophobicContact CG1-CD2 4.39Å; V53-F76 HydrophobicContact CB-CZ 4.15Å; V53-F76 HydrophobicContact CG2-CE1 3.95Å; V53-F76 HydrophobicContact CG2-CZ 3.79Å
54	F	98.3	Very high	97	Very high	48 Å²	48	53 Å²	53	21%	0.211	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.5	176.3	177.5	-99.2	0	0	0	111.1	V36 D38 K41 L45 E56	V36-F54 HydrophobicContact CB-CD2 4.24Å; V36-F54 HydrophobicContact CG1-CD2 4.04Å; V36-F54 HydrophobicContact CG1-CE2 4.45Å; D38-F54 HydrophobicContact CB-CE2 4.04Å; K41-F54 HydrophobicContact CB-CD1 3.74Å; K41-F54 HydrophobicContact CB-CD2 4.01Å; K41-F54 HydrophobicContact CB-CE1 3.63Å; K41-F54 HydrophobicContact CB-CE2 3.92Å; K41-F54 HydrophobicContact CB-CG 3.94Å; K41-F54 HydrophobicContact CB-CZ 3.73Å; K41-F54 HydrophobicContact CD-CB 4.08Å; K41-F54 HydrophobicContact CD-CD1 4.01Å; K41-F54 HydrophobicContact CD-CG 3.98Å; K41-F54 HydrophobicContact CG-CB 4.17Å; K41-F54 HydrophobicContact CG-CD1 3.91Å; K41-F54 HydrophobicContact CG-CD2 3.89Å; K41-F54 HydrophobicContact CG-CE1 4.31Å; K41-F54 HydrophobicContact CG-CE2 4.3Å; K41-F54 HydrophobicContact CG-CG 3.69Å; K41-F54 HydrophobicContact CG-CZ 4.5Å; K41-F54 VanDerWaalsContact N-CZ 3.34Å; L45-F54 HydrophobicContact CD1-CD2 3.85Å; F54-E56 HydrophobicContact CE1-CB 4.09Å; F54-E56 HydrophobicContact CZ-CB 4.38Å
55	C	98.4	Very high	97.1	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123	167.7	-166.6	0	0	0	0	109.3	L35 V36 C37 D38 T57 L71	L35-C55 HydrophobicContact CD1-CB 4.19Å; L35-C55 HydrophobicContact CD2-CB 4.43Å; L35-C55 HydrophobicContact CG-CB 4.46Å; V36-C55 PolarHBondContact O-N 3.25Å; C37-C55 WeakPolarHBondContact CA-O 3.35Å; D38-C55 PolarHBondContact N-O 3Å; C55-T57 PolarHBondContact O-N 3.49Å; C55-T57 PolarHBondContact O-OG1 3.26Å; C55-L71 HydrophobicContact CB-CD2 3.87Å
56	E	98.6	Very high	97.2	Very high	130 Å²	130	56.4 Å²	56.4	61%	0.607	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	126	166.6	-169.3	175.9	118	0	0	108.6	D38 F54	D38-E56 CarbonylContact O-C 3.57Å; D38-E56 VanDerWaalsContact O-CA 3.29Å; D38-E56 WeakPolarHBondContact O-CA 3.47Å; F54-E56 HydrophobicContact CE1-CB 4.09Å; F54-E56 HydrophobicContact CZ-CB 4.38Å
57	T	98.8	Very high	97.4	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.018	32%	0.32	C	S	.	.			trans	-154.2	115.5	-172	-57.1	0	0	0	0	111.3	C37 D38 C55 V59 D64 A68	C37-T57 HydrophobicContact CB-CG2 4.2Å; D38-T57 PolarHBondContact O-N 3.32Å; C55-T57 PolarHBondContact O-N 3.49Å; C55-T57 PolarHBondContact O-OG1 3.26Å; T57-V59 HydrophobicContact CG2-CG1 4.47Å; T57-D64 HydrophobicContact CG2-CB 4.07Å; T57-A68 HydrophobicContact CG2-CB 4.22Å
58	D	98.5	Very high	97.5	Very high	58 Å²	58	51 Å²	51	31%	0.31	29%	0.285	S	S	.	.			trans	-81.5	112.4	155.8	-177.1	-3.4	0	0	0	109.1	L39 G60 S61 D64	L39-D58 HydrophobicContact CD2-CB 3.82Å; D58-G60 PolarHBondContact O-N 2.99Å; D58-G60 VanDerWaalsContact O-N 3.16Å; D58-G60 PolarHBondContact OD1-N 3.05Å; D58-S61 WeakPolarHBondContact O-CB 3.42Å; D58-S61 PolarHBondContact O-N 3.01Å; D58-D64 PolarHBondContact N-OD2 2.95Å; D58-D64 VanDerWaalsContact N-OD2 3.08Å
59	V	98.6	Very high	97.6	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.036	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.1	178.7	-66.7	0	0	0	0	112.9	T13 T57 S61 A86 T114 G118 N121 M122	T13-V59 HydrophobicContact CG2-CG1 3.89Å; T57-V59 HydrophobicContact CG2-CG1 4.47Å; V59-S61 PolarHBondContact O-N 3.44Å; V59-A86 HydrophobicContact CG1-CB 4.03Å; V59-A86 HydrophobicContact CG2-CB 3.97Å; V59-T114 HydrophobicContact CG2-CG2 4.22Å; V59-T114 WeakPolarHBondContact CG2-O 3.33Å; V59-G118 WeakPolarHBondContact O-CA 3.14Å; V59-N121 PolarHBondContact O-ND2 3.26Å; V59-M122 HydrophobicContact CB-CG 4.16Å; V59-M122 HydrophobicContact CG1-CG 3.87Å; V59-M122 HydrophobicContact CG1-SD 4.3Å
60	G	97.8	Very high	97.9	Very high	10 Å²	10	51 Å²	51	10%	0.103	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.5	174.6	0	0	0	0	0	114.2	D58 K113	D58-G60 PolarHBondContact O-N 2.99Å; D58-G60 VanDerWaalsContact O-N 3.16Å; D58-G60 PolarHBondContact OD1-N 3.05Å; G60-K113 VanDerWaalsContact O-CE 3.26Å; G60-K113 WeakPolarHBondContact O-CE 3.44Å
61	S	98.4	Very high	98.1	Very high	30 Å²	30	48.1 Å²	48.1	21%	0.21	25%	0.25	C	S	.	.			trans	-98.4	121.5	174	171.6	0	0	0	0	110.2	D58 V59 S63 D64 A65 N121	D58-S61 WeakPolarHBondContact O-CB 3.42Å; D58-S61 PolarHBondContact O-N 3.01Å; V59-S61 PolarHBondContact O-N 3.44Å; S61-S63 PolarHBondContact O-N 3.35Å; S61-S63 PolarHBondContact OG-OG 3.37Å; S61-D64 PolarHBondContact O-N 3.38Å; S61-D64 VanDerWaalsContact OG-CG 3.28Å; S61-D64 PolarHBondContact OG-N 2.87Å; S61-D64 PolarHBondContact OG-OD1 3.08Å; S61-A65 WeakPolarHBondContact O-CB 3.28Å; S61-A65 PolarHBondContact O-N 2.97Å; S61-N121 PolarHBondContact O-ND2 2.67Å
62	E	98	Very high	98.2	Very high	118 Å²	118	45 Å²	45	55%	0.551	23%	0.234	S	C	*	.	H	α-helix	trans	-63.4	-40.3	177.6	173.8	161.3	-149.9	0	0	112.2	D64 K66 R124	E62-D64 PolarHBondContact O-N 3.31Å; E62-K66 VanDerWaalsContact O-CB 3.28Å; E62-K66 WeakPolarHBondContact O-CB 3.32Å; E62-K66 PolarHBondContact O-N 3.21Å; E62-R124 VanDerWaalsContact CG-NH2 3.33Å; E62-R124 IonicContact OE1-CZ 3.49Å; E62-R124 IonicContact OE1-NH1 3.64Å; E62-R124 PolarHBondContact OE1-NH1 2.82Å; E62-R124 IonicContact OE1-NH2 2.69Å; E62-R124 PolarHBondContact OE1-NH2 3.04Å; E62-R124 IonicContact OE2-NH2 2.67Å
63	S	98.5	Very high	98.1	Very high	82 Å²	82	49.8 Å²	49.8	57%	0.573	25%	0.253	S	S	*	.	H	α-helix	trans	-64.5	-40.9	179	51.6	0	0	0	0	112.1	S61 K67	S61-S63 PolarHBondContact O-N 3.35Å; S61-S63 PolarHBondContact OG-OG 3.37Å; S63-K67 VanDerWaalsContact O-CB 3.28Å; S63-K67 WeakPolarHBondContact O-CB 3.33Å; S63-K67 PolarHBondContact O-N 2.91Å
64	D	98.6	Very high	98.1	Very high	48 Å²	48	56.8 Å²	56.8	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-69.4	-47.6	-178.7	-67.5	24.6	0	0	0	110.4	T57 D58 S61 E62 K66 K67 A68	T57-D64 HydrophobicContact CG2-CB 4.07Å; D58-D64 PolarHBondContact N-OD2 2.95Å; D58-D64 VanDerWaalsContact N-OD2 3.08Å; S61-D64 PolarHBondContact O-N 3.38Å; S61-D64 VanDerWaalsContact OG-CG 3.28Å; S61-D64 PolarHBondContact OG-N 2.87Å; S61-D64 PolarHBondContact OG-OD1 3.08Å; E62-D64 PolarHBondContact O-N 3.31Å; D64-K66 VanDerWaalsContact C-N 3.32Å; D64-K66 PolarHBondContact O-N 3.06Å; D64-K67 WeakPolarHBondContact O-CB 3.48Å; D64-K67 PolarHBondContact O-N 2.82Å; D64-A68 WeakPolarHBondContact O-CB 3.5Å; D64-A68 PolarHBondContact O-N 3.13Å
65	A	98.5	Very high	98	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-43.7	176.5	0	0	0	0	0	111.4	S61 A68 V69 N121 M122 L125	S61-A65 WeakPolarHBondContact O-CB 3.28Å; S61-A65 PolarHBondContact O-N 2.97Å; A65-A68 PolarHBondContact O-N 2.99Å; A65-V69 WeakPolarHBondContact O-CG2 3.43Å; A65-V69 PolarHBondContact O-N 3.48Å; A65-N121 WeakPolarHBondContact CB-ND2 3.32Å; A65-M122 HydrophobicContact CB-SD 3.51Å; A65-M122 VanDerWaalsContact CB-SD 3.51Å; A65-L125 HydrophobicContact CB-CD1 3.61Å
66	K	98.1	Very high	97.8	Very high	103 Å²	103	59.2 Å²	59.2	45%	0.448	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-46.7	176.3	-171.2	-176.2	-174.7	-60.2	0	111.4	E62 D64 A68 V69 D70 L125	E62-K66 VanDerWaalsContact O-CB 3.28Å; E62-K66 WeakPolarHBondContact O-CB 3.32Å; E62-K66 PolarHBondContact O-N 3.21Å; D64-K66 VanDerWaalsContact C-N 3.32Å; D64-K66 PolarHBondContact O-N 3.06Å; K66-A68 VanDerWaalsContact C-N 3.29Å; K66-A68 PolarHBondContact O-N 3.07Å; K66-V69 PolarHBondContact O-N 2.94Å; K66-D70 IonicContact NZ-OD1 2.85Å; K66-D70 IonicContact NZ-OD2 2.72Å; K66-D70 PolarHBondContact NZ-OD2 2.83Å; K66-D70 WeakPolarHBondContact O-CB 3.3Å; K66-D70 VanDerWaalsContact O-CG 3.31Å; K66-D70 PolarHBondContact O-N 2.81Å; K66-L125 HydrophobicContact CB-CD1 4.38Å
67	K	98.4	Very high	97.4	Very high	128 Å²	128	57.7 Å²	57.7	56%	0.557	30%	0.298	S	S	*	.	H	α-helix	trans	-57.1	-42.9	176.2	175	-175.1	172.6	-169.6	0	111.5	S63 D64 L71	S63-K67 VanDerWaalsContact O-CB 3.28Å; S63-K67 WeakPolarHBondContact O-CB 3.33Å; S63-K67 PolarHBondContact O-N 2.91Å; D64-K67 WeakPolarHBondContact O-CB 3.48Å; D64-K67 PolarHBondContact O-N 2.82Å; K67-L71 VanDerWaalsContact O-CB 3.27Å; K67-L71 WeakPolarHBondContact O-CB 3.47Å; K67-L71 PolarHBondContact O-N 2.97Å
68	A	98.5	Very high	97.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-46.7	177.1	0	0	0	0	0	112.2	L35 C37 T57 D64 A65 K66 L71 A72	L35-A68 HydrophobicContact CD2-CB 4.18Å; L35-A68 WeakPolarHBondContact CD2-O 3.5Å; C37-A68 VanDerWaalsContact SG-CB 3.53Å; T57-A68 HydrophobicContact CG2-CB 4.22Å; D64-A68 WeakPolarHBondContact O-CB 3.5Å; D64-A68 PolarHBondContact O-N 3.13Å; A65-A68 PolarHBondContact O-N 2.99Å; K66-A68 VanDerWaalsContact C-N 3.29Å; K66-A68 PolarHBondContact O-N 3.07Å; A68-L71 WeakPolarHBondContact O-CB 3.28Å; A68-L71 PolarHBondContact O-N 2.9Å; A68-A72 PolarHBondContact O-N 2.86Å
69	V	97.9	Very high	97.2	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.048	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-43.1	177.9	171.9	0	0	0	0	111.3	I11 A65 K66 L71 A72 K73 M122 L125 L129	I11-V69 HydrophobicContact CD1-CG2 4.08Å; A65-V69 WeakPolarHBondContact O-CG2 3.43Å; A65-V69 PolarHBondContact O-N 3.48Å; K66-V69 PolarHBondContact O-N 2.94Å; V69-L71 VanDerWaalsContact C-N 3.3Å; V69-L71 PolarHBondContact O-N 2.75Å; V69-A72 PolarHBondContact O-N 2.81Å; V69-K73 PolarHBondContact O-N 2.85Å; V69-M122 HydrophobicContact CG2-CE 4.33Å; V69-L125 HydrophobicContact CG2-CB 3.9Å; V69-L129 HydrophobicContact CG1-CD1 3.42Å; V69-L129 VanDerWaalsContact CG1-CD1 3.42Å; V69-L129 HydrophobicContact CG1-CG 3.75Å; V69-L129 WeakPolarHBondContact O-CD1 3.25Å
70	D	97.6	Very high	97.2	Very high	72 Å²	72	60.2 Å²	60.2	39%	0.385	31%	0.305	S	S	.	.	H	α-helix	trans	-62.5	-37.4	174.9	-70.8	-25.8	0	0	0	111.7	K66 K73 K74	K66-D70 IonicContact NZ-OD1 2.85Å; K66-D70 IonicContact NZ-OD2 2.72Å; K66-D70 PolarHBondContact NZ-OD2 2.83Å; K66-D70 WeakPolarHBondContact O-CB 3.3Å; K66-D70 VanDerWaalsContact O-CG 3.31Å; K66-D70 PolarHBondContact O-N 2.81Å; D70-K73 PolarHBondContact O-N 2.89Å; D70-K74 WeakPolarHBondContact O-CB 3.45Å; D70-K74 PolarHBondContact O-N 2.91Å
71	L	97.9	Very high	97.2	Very high	47 Å²	47	59.8 Å²	59.8	25%	0.246	30%	0.301	C	S	.	.	H	α-helix	trans	-68.7	-39.4	176.5	-173.6	65	0	0	0	112.2	L35 V53 C55 K67 A68 V69 K74 N75	L35-L71 HydrophobicContact CD1-CD2 3.92Å; L35-L71 HydrophobicContact CD1-CG 4.22Å; V53-L71 HydrophobicContact CG1-CD2 4.39Å; C55-L71 HydrophobicContact CB-CD2 3.87Å; K67-L71 VanDerWaalsContact O-CB 3.27Å; K67-L71 WeakPolarHBondContact O-CB 3.47Å; K67-L71 PolarHBondContact O-N 2.97Å; A68-L71 WeakPolarHBondContact O-CB 3.28Å; A68-L71 PolarHBondContact O-N 2.9Å; V69-L71 VanDerWaalsContact C-N 3.3Å; V69-L71 PolarHBondContact O-N 2.75Å; L71-K74 PolarHBondContact O-N 2.93Å; L71-N75 WeakPolarHBondContact CD1-ND2 3.39Å; L71-N75 WeakPolarHBondContact CG-ND2 3.28Å; L71-N75 PolarHBondContact O-N 2.97Å; L71-N75 PolarHBondContact O-ND2 3.14Å
72	A	97.3	Very high	97.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-46.7	172.5	0	0	0	0	0	110.8	I11 L35 A68 V69 K74 N75 F76	I11-A72 HydrophobicContact CD1-CB 3.85Å; I11-A72 HydrophobicContact CG1-CB 4Å; L35-A72 HydrophobicContact CB-CB 4.48Å; L35-A72 HydrophobicContact CD2-CB 3.93Å; A68-A72 PolarHBondContact O-N 2.86Å; V69-A72 PolarHBondContact O-N 2.81Å; A72-K74 VanDerWaalsContact C-N 3.34Å; A72-K74 PolarHBondContact O-N 3.42Å; A72-N75 PolarHBondContact O-N 3.43Å; A72-F76 WeakPolarHBondContact O-CB 3.2Å; A72-F76 PolarHBondContact O-N 2.93Å
73	K	96	Very high	97.3	Very high	118 Å²	118	52.7 Å²	52.7	51%	0.513	26%	0.264	S	S	.	.	H	α-helix	trans	-57.7	-46.4	174.9	-172	-177.2	-174.5	172.1	0	111.5	V69 D70 S77 L129	V69-K73 PolarHBondContact O-N 2.85Å; D70-K73 PolarHBondContact O-N 2.89Å; K73-S77 WeakPolarHBondContact O-CA 3.44Å; K73-S77 PolarHBondContact O-N 3.3Å; K73-L129 HydrophobicContact CB-CD1 3.9Å; K73-L129 HydrophobicContact CB-CD2 4.2Å; K73-L129 HydrophobicContact CD-CD2 3.78Å; K73-L129 HydrophobicContact CG-CD2 4.15Å
74	K	97.1	Very high	97.3	Very high	177 Å²	177	48.9 Å²	48.9	77%	0.77	24%	0.237	S	C	*	.	H	α-helix	trans	-64	-43	-178.5	-178	-179.5	175.9	-177.9	0	112.9	D70 L71 A72	D70-K74 WeakPolarHBondContact O-CB 3.45Å; D70-K74 PolarHBondContact O-N 2.91Å; L71-K74 PolarHBondContact O-N 2.93Å; A72-K74 VanDerWaalsContact C-N 3.34Å; A72-K74 PolarHBondContact O-N 3.42Å
75	N	96.1	Very high	97.3	Very high	78 Å²	78	47.5 Å²	47.5	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-82.4	-35	-175.5	-74	-76.4	0	0	0	113	L71 A72	L71-N75 WeakPolarHBondContact CD1-ND2 3.39Å; L71-N75 WeakPolarHBondContact CG-ND2 3.28Å; L71-N75 PolarHBondContact O-N 2.97Å; L71-N75 PolarHBondContact O-ND2 3.14Å; A72-N75 PolarHBondContact O-N 3.43Å
76	F	94.8	Very high	97.2	Very high	28 Å²	28	48.2 Å²	48.2	12%	0.123	24%	0.237	C	C	.	.	H	α-helix	trans	-117	-5.9	-169.2	-48.4	-38	0	0	0	114.1	S9 N33 L35 V53 A72 K78	S9-F76 VanDerWaalsContact OG-CB 3.32Å; S9-F76 WeakPolarHBondContact OG-CB 3.48Å; N33-F76 HydrophobicContact CB-CD1 3.58Å; N33-F76 HydrophobicContact CB-CD2 4.08Å; N33-F76 HydrophobicContact CB-CE1 3.62Å; N33-F76 HydrophobicContact CB-CE2 4.07Å; N33-F76 HydrophobicContact CB-CG 3.84Å; N33-F76 HydrophobicContact CB-CZ 3.85Å; L35-F76 HydrophobicContact CB-CE2 3.96Å; V53-F76 HydrophobicContact CB-CZ 4.15Å; V53-F76 HydrophobicContact CG2-CE1 3.95Å; V53-F76 HydrophobicContact CG2-CZ 3.79Å; A72-F76 WeakPolarHBondContact O-CB 3.2Å; A72-F76 PolarHBondContact O-N 2.93Å; F76-K78 PolarHBondContact O-N 3.49Å
77	S	91	Very high	97	Very high	98 Å²	98	45.1 Å²	45.1	69%	0.685	23%	0.234	S	C	*	.	S	Bend	trans	64.3	-28.5	-175.9	-53.1	0	0	0	0	115.9	K73	K73-S77 WeakPolarHBondContact O-CA 3.44Å; K73-S77 PolarHBondContact O-N 3.3Å
78	K	94.1	Very high	96.7	Very high	97 Å²	97	41.6 Å²	41.6	42%	0.422	22%	0.221	S	C	.	.			trans	-133.6	160.4	-176.9	-65.1	-176	-179.5	-177.2	0	110.7	S9 F76 N133	S9-K78 WeakPolarHBondContact CB-O 3.38Å; F76-K78 PolarHBondContact O-N 3.49Å; K78-N133 WeakPolarHBondContact CB-OD1 3.36Å
79	L	98	Very high	96.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.			trans	-135.5	123.9	172.2	178.6	63.1	0	0	0	109	I11 I81 A126 L129 M130 N133	I11-L79 HydrophobicContact CB-CD1 4.37Å; I11-L79 HydrophobicContact CD1-CD1 4.04Å; I11-L79 HydrophobicContact CD1-CD2 3.69Å; I11-L79 HydrophobicContact CG1-CD1 3.73Å; I11-L79 HydrophobicContact CG1-CD2 4.31Å; L79-I81 WeakPolarHBondContact CD1-O 3.47Å; L79-A126 HydrophobicContact CD2-CB 3.66Å; L79-L129 HydrophobicContact CB-CB 3.88Å; L79-L129 HydrophobicContact CB-CD1 4.12Å; L79-L129 HydrophobicContact CD2-CB 4.28Å; L79-L129 HydrophobicContact CD2-CD1 4.19Å; L79-M130 HydrophobicContact CD2-CE 4.38Å; L79-M130 HydrophobicContact CG-CE 4.23Å; L79-M130 HydrophobicContact CG-CG 4.42Å; L79-M130 VanDerWaalsContact O-CG 3.28Å; L79-M130 WeakPolarHBondContact O-CG 3.32Å; L79-N133 PolarHBondContact O-ND2 2.97Å
80	H	98.1	Very high	95.6	Very high	23 Å²	23	44.1 Å²	44.1	11%	0.106	24%	0.241	C	C	.	.			trans	-114.1	-31	-174.2	-58.8	94.5	0	0	0	112.1	F2 L8 S9 N133 G142 V143	F2-H80 HydrophobicContact CE1-CB 4.21Å; F2-H80 HydrophobicContact CE2-CB 4.44Å; F2-H80 HydrophobicContact CZ-CB 3.7Å; L8-H80 HydrophobicContact CB-CB 4.37Å; S9-H80 PolarHBondContact N-ND1 2.84Å; S9-H80 PolarHBondContact O-N 2.79Å; H80-N133 PolarHBondContact CD2-ND2 3.31Å; H80-G142 CarbonylContact O-C 3.59Å; H80-G142 WeakPolarHBondContact O-CA 3.31Å; H80-V143 PolarHBondContact O-N 3.26Å
81	I	98.7	Very high	95.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.3	-169.9	-58.5	165	0	0	0	109.3	F2 L5 S9 A10 I11 L27 L79 V83 V143 L238	F2-I81 HydrophobicContact CD2-CD1 4.46Å; F2-I81 HydrophobicContact CE2-CD1 4.19Å; F2-I81 HydrophobicContact CE2-CG1 3.89Å; L5-I81 HydrophobicContact CD2-CD1 4.14Å; S9-I81 PolarHBondContact O-N 3.17Å; S9-I81 VanDerWaalsContact O-N 3.14Å; A10-I81 CarbonylContact C-O 3.54Å; A10-I81 WeakPolarHBondContact CA-O 3.14Å; A10-I81 HydrophobicContact CB-CB 3.78Å; A10-I81 HydrophobicContact CB-CG2 4.14Å; I11-I81 PolarHBondContact N-O 3.23Å; L27-I81 HydrophobicContact CD2-CD1 4.17Å; L79-I81 WeakPolarHBondContact CD1-O 3.47Å; I81-V83 HydrophobicContact CG2-CG2 3.77Å; I81-V143 WeakPolarHBondContact CA-O 3.45Å; I81-L238 HydrophobicContact CB-CD2 4.48Å; I81-L238 HydrophobicContact CD1-CD1 3.81Å; I81-L238 HydrophobicContact CD1-CD2 3.82Å; I81-L238 HydrophobicContact CD1-CG 4.46Å; I81-L238 HydrophobicContact CG1-CD2 3.73Å; I81-L238 HydrophobicContact CG2-CD2 3.98Å
82	L	98.9	Very high	94.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.2	165.4	173.1	64.1	0	0	0	108.1	I11 T13 N84 M122 I123 A126 M130 V143 I144 I145	I11-L82 HydrophobicContact CB-CD1 3.9Å; I11-L82 HydrophobicContact CG2-CD1 3.83Å; T13-L82 HydrophobicContact CG2-CD1 4.43Å; L82-N84 WeakPolarHBondContact CD2-ND2 3.14Å; L82-M122 HydrophobicContact CD1-CB 4.42Å; L82-M122 HydrophobicContact CD1-CE 4.4Å; L82-M122 HydrophobicContact CD2-CB 4.13Å; L82-I123 HydrophobicContact CD2-CG1 4.2Å; L82-A126 HydrophobicContact CB-CB 4.41Å; L82-A126 HydrophobicContact CD2-CB 3.81Å; L82-M130 HydrophobicContact CB-CE 3.68Å; L82-V143 PolarHBondContact N-O 3.48Å; L82-I144 HydrophobicContact CB-CG1 4.36Å; L82-I144 HydrophobicContact CD2-CG2 4.36Å; L82-I144 CarbonylContact O-C 3.56Å; L82-I144 WeakPolarHBondContact O-CA 3.44Å; L82-I145 PolarHBondContact O-N 3.46Å
83	V	98.9	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.8	169.8	-164.8	0	0	0	0	109.5	I11 V12 T13 T23 I81 C85 I145 V234	I11-V83 PolarHBondContact O-N 3.33Å; V12-V83 WeakPolarHBondContact CA-O 3.34Å; V12-V83 HydrophobicContact CG2-CB 4.37Å; T13-V83 PolarHBondContact N-O 2.93Å; T23-V83 HydrophobicContact CG2-CB 4.23Å; T23-V83 HydrophobicContact CG2-CG1 4.12Å; T23-V83 HydrophobicContact CG2-CG2 4.02Å; I81-V83 HydrophobicContact CG2-CG2 3.77Å; V83-C85 PolarHBondContact O-N 3.1Å; V83-I145 CarbonylContact C-O 3.51Å; V83-I145 WeakPolarHBondContact CA-O 3.28Å; V83-I145 HydrophobicContact CG1-CB 4.27Å; V83-I145 HydrophobicContact CG1-CG2 4.35Å; V83-I145 HydrophobicContact CG2-CB 4.47Å; V83-V234 HydrophobicContact CG1-CG2 4.29Å; V83-V234 HydrophobicContact CG2-CG1 4.01Å
84	N	98.9	Very high	94.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	97.2	178.2	-70.5	-55.1	0	0	0	110.6	T13 L82 T119 M122 I145 N146 T147	T13-N84 VanDerWaalsContact OG1-CA 3.28Å; T13-N84 WeakPolarHBondContact OG1-CA 3.48Å; L82-N84 WeakPolarHBondContact CD2-ND2 3.14Å; N84-T119 HydrophobicContact CB-CG2 4.08Å; N84-M122 WeakPolarHBondContact OD1-CB 3.28Å; N84-I145 PolarHBondContact N-O 3.37Å; N84-N146 PolarHBondContact ND2-OD1 3.36Å; N84-T147 VanDerWaalsContact O-CB 3.23Å; N84-T147 WeakPolarHBondContact O-CB 3.36Å; N84-T147 PolarHBondContact O-N 2.92Å; N84-T147 PolarHBondContact O-OG1 3.19Å
85	C	98.3	Very high	94.9	Very high	20 Å²	20	45.7 Å²	45.7	14%	0.135	27%	0.273	C	S	.	.			trans	-109.1	-10.1	174.1	-59.1	0	0	0	0	113.4	T13 V83 G87	T13-C85 CarbonylContact O-C 3.44Å; T13-C85 VanDerWaalsContact O-CA 3.29Å; T13-C85 WeakPolarHBondContact O-CA 3.42Å; T13-C85 WeakPolarHBondContact O-CB 3.43Å; T13-C85 PolarHBondContact O-N 3.5Å; T13-C85 VanDerWaalsContact O-N 3.08Å; T13-C85 PolarHBondContact OG1-N 3.29Å; V83-C85 PolarHBondContact O-N 3.1Å; C85-G87 PolarHBondContact O-N 3.06Å
86	A	96.9	Very high	94.9	Very high	15 Å²	15	43.9 Å²	43.9	12%	0.124	26%	0.263	C	S	.	.			trans	-57.4	132.8	176	0	0	0	0	0	110.6	T13 V59	T13-A86 PolarHBondContact O-N 3.02Å; T13-A86 VanDerWaalsContact O-N 3.08Å; T13-A86 WeakPolarHBondContact OG1-CB 3.47Å; T13-A86 PolarHBondContact OG1-N 3.03Å; T13-A86 VanDerWaalsContact OG1-N 3.11Å; V59-A86 HydrophobicContact CG1-CB 4.03Å; V59-A86 HydrophobicContact CG2-CB 3.97Å
87	G	94.1	Very high	94.9	Very high	37 Å²	37	47 Å²	47	38%	0.381	29%	0.285	S	S	.	.			trans	-179.7	156.3	175.1	0	0	0	0	0	114.1	C85 N115	C85-G87 PolarHBondContact O-N 3.06Å; G87-N115 WeakPolarHBondContact CA-OD1 3.37Å
88	L	91.4	Very high	95.1	Very high	54 Å²	54	48.5 Å²	48.5	28%	0.283	29%	0.29	S	S	.	.			trans	-112.7	132.1	176.7	179.6	64.7	0	0	0	109.1	V90 K110 V111 N115 Y162	L88-V90 HydrophobicContact CD1-CG1 4.48Å; L88-V90 HydrophobicContact CD2-CG1 3.97Å; L88-V90 HydrophobicContact CG-CG1 3.91Å; L88-K110 HydrophobicContact CD2-CD 4.24Å; L88-K110 HydrophobicContact CD2-CG 4.16Å; L88-V111 HydrophobicContact CD2-CG2 3.92Å; L88-V111 HydrophobicContact CG-CG2 4.31Å; L88-N115 PolarHBondContact N-OD1 3Å; L88-N115 PolarHBondContact O-ND2 3.41Å; L88-Y162 WeakPolarHBondContact O-CD2 3.47Å
89	A	87.5	Confident	95.2	Very high	39 Å²	39	53.1 Å²	53.1	32%	0.322	31%	0.305	S	S	.	.			trans	-105.3	134.2	167.1	0	0	0	0	0	109.2	Y162 T199	A89-Y162 HydrophobicContact CB-CD2 4.08Å; A89-Y162 HydrophobicContact CB-CE2 4.01Å; A89-T199 HydrophobicContact CB-CG2 3.77Å
90	V	86.9	Confident	95.1	Very high	23 Å²	23	59.5 Å²	59.5	14%	0.139	33%	0.334	C	S	.	.			trans	-131.2	144.4	174.4	-55.4	0	0	0	0	108.8	L88 L107 V111 A161	L88-V90 HydrophobicContact CD1-CG1 4.48Å; L88-V90 HydrophobicContact CD2-CG1 3.97Å; L88-V90 HydrophobicContact CG-CG1 3.91Å; V90-L107 HydrophobicContact CB-CD2 4.42Å; V90-L107 HydrophobicContact CG1-CD1 3.84Å; V90-L107 HydrophobicContact CG1-CG 4.27Å; V90-L107 HydrophobicContact CG2-CG 4.49Å; V90-V111 HydrophobicContact CB-CG2 4.24Å; V90-V111 HydrophobicContact CG1-CG2 3.58Å; V90-V111 HydrophobicContact CG2-CG2 3.6Å; V90-A161 HydrophobicContact CG2-CB 4.11Å
91	A	88.3	Confident	95.1	Very high	94 Å²	94	61.6 Å²	61.6	78%	0.777	35%	0.349	S	S	*	.			trans	-116.8	101.6	172.1	0	0	0	0	0	108.9	G158	A91-G158 CarbonylContact C-O 3.58Å; A91-G158 WeakPolarHBondContact CA-O 3.41Å
92	C	92.3	Very high	95.1	Very high	34 Å²	34	65.6 Å²	65.6	23%	0.23	38%	0.375	C	S	.	.			trans	-145.7	120.3	179.2	-169.4	0	0	0	0	109.7	H103 L107 G158	C92-H103 PolarHBondContact O-CD2 2.99Å; C92-L107 HydrophobicContact CB-CD2 4.32Å; C92-G158 CarbonylContact C-O 3.54Å; C92-G158 PolarHBondContact N-O 2.88Å; C92-G158 CarbonylContact O-C 3.57Å; C92-G158 VanDerWaalsContact O-CA 3.24Å; C92-G158 WeakPolarHBondContact O-CA 3.36Å; C92-G158 VanDerWaalsContact O-O 3.06Å
93	K	94.4	Very high	94.9	Very high	114 Å²	114	66.9 Å²	66.9	50%	0.496	38%	0.381	S	S	.	.			trans	-62.3	143.1	176.9	-69.4	-171.8	175.7	-174.7	0	109.8	F95 V157	K93-F95 WeakPolarHBondContact CB-O 3.3Å; K93-F95 PolarHBondContact O-N 3Å; K93-F95 VanDerWaalsContact O-N 3.15Å; K93-V157 HydrophobicContact CD-CG1 4.3Å; K93-V157 HydrophobicContact CG-CG1 4Å
94	T	97.2	Very high	94.9	Very high	107 Å²	107	69.8 Å²	69.8	66%	0.656	40%	0.4	S	S	*	.	S	Bend	trans	-49.9	-41.1	174.2	-51	0	0	0	0	111.9	H103	T94-H103 PolarHBondContact O-N 2.73Å
95	F	98	Very high	94.9	Very high	97 Å²	97	75.2 Å²	75.2	43%	0.425	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	130.4	167.7	-168.7	-91.2	0	0	0	109.1	K93 T97 P102	K93-F95 WeakPolarHBondContact CB-O 3.3Å; K93-F95 PolarHBondContact O-N 3Å; K93-F95 VanDerWaalsContact O-N 3.15Å; F95-T97 HydrophobicContact CD1-CG2 3.94Å; F95-T97 HydrophobicContact CE1-CG2 4.22Å; F95-P102 HydrophobicContact CD2-CB 4.22Å
96	N	96	Very high	94.8	Very high	40 Å²	40	79.7 Å²	79.7	21%	0.214	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	104.4	175.1	-173.8	-39.5	0	0	0	109.2	T98 R99 Q100 T101	N96-T98 VanDerWaalsContact C-N 3.32Å; N96-T98 PolarHBondContact O-N 3.4Å; N96-T98 WeakPolarHBondContact OD1-CB 3.41Å; N96-T98 PolarHBondContact OD1-N 3.26Å; N96-R99 HydrophobicContact CB-CB 4.3Å; N96-R99 PolarHBondContact O-N 3.46Å; N96-R99 PolarHBondContact OD1-N 3.32Å; N96-Q100 VanDerWaalsContact O-CA 3.29Å; N96-Q100 WeakPolarHBondContact O-CA 3.48Å; N96-Q100 PolarHBondContact O-N 3.14Å; N96-T101 PolarHBondContact N-O 3.35Å; N96-T101 PolarHBondContact O-N 3.21Å
97	T	95.8	Very high	94.8	Very high	94 Å²	94	81.4 Å²	81.4	58%	0.577	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.1	-179.7	51.9	0	0	0	0	113.7	F95 Q100	F95-T97 HydrophobicContact CD1-CG2 3.94Å; F95-T97 HydrophobicContact CE1-CG2 4.22Å; T97-Q100 PolarHBondContact O-NE2 2.9Å
98	T	95.1	Very high	95	Very high	130 Å²	130	83 Å²	83	80%	0.798	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-40.4	175.2	-51.4	0	0	0	0	111.3	N96	N96-T98 VanDerWaalsContact C-N 3.32Å; N96-T98 PolarHBondContact O-N 3.4Å; N96-T98 WeakPolarHBondContact OD1-CB 3.41Å; N96-T98 PolarHBondContact OD1-N 3.26Å
99	R	94.9	Very high	95.4	Very high	193 Å²	193	85.8 Å²	85.8	73%	0.728	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.7	178.8	-65.7	-176	-179	156.5	0.3	113.6	N96 T101	N96-R99 HydrophobicContact CB-CB 4.3Å; N96-R99 PolarHBondContact O-N 3.46Å; N96-R99 PolarHBondContact OD1-N 3.32Å; R99-T101 PolarHBondContact O-N 3.22Å
100	Q	96.9	Very high	95.9	Very high	134 Å²	134	89.8 Å²	89.8	63%	0.626	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	40.1	-172.8	-65.1	-68.4	-43.6	0	0	112.7	N96 T97	N96-Q100 VanDerWaalsContact O-CA 3.29Å; N96-Q100 WeakPolarHBondContact O-CA 3.48Å; N96-Q100 PolarHBondContact O-N 3.14Å; T97-Q100 PolarHBondContact O-NE2 2.9Å
101	T	97.6	Very high	96.4	Very high	68 Å²	68	88.7 Å²	88.7	42%	0.417	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.7	-178.5	52.8	0	0	0	0	112.2	N96 R99	N96-T101 PolarHBondContact N-O 3.35Å; N96-T101 PolarHBondContact O-N 3.21Å; R99-T101 PolarHBondContact O-N 3.22Å
102	P	98	Very high	96.9	Very high	84 Å²	84	85.7 Å²	85.7	55%	0.545	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	161.8	170.1	31.8	-34.8	0	0	0	111.1	F95 P104	F95-P102 HydrophobicContact CD2-CB 4.22Å; P102-P104 WeakPolarHBondContact O-CD 3.49Å
103	H	96.6	Very high	97.2	Very high	26 Å²	26	89.5 Å²	89.5	12%	0.12	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-55	124.2	166.5	-175.1	-52	0	0	0	109.4	C92 T94 L105 F108	C92-H103 PolarHBondContact O-CD2 2.99Å; T94-H103 PolarHBondContact O-N 2.73Å; H103-L105 PolarHBondContact O-N 3.12Å; H103-F108 PolarHBondContact CE1-N 2.66Å
104	P	97.5	Very high	97.3	Very high	61 Å²	61	85.4 Å²	85.4	40%	0.396	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-57.9	127	177	-24.8	34.8	0	0	0	111.3	P102 D106 L107 F108	P102-P104 WeakPolarHBondContact O-CD 3.49Å; P104-D106 VanDerWaalsContact C-N 3.33Å; P104-D106 WeakPolarHBondContact CB-OD1 3.37Å; P104-D106 PolarHBondContact O-N 3.37Å; P104-L107 HydrophobicContact CB-CB 4.29Å; P104-L107 PolarHBondContact O-N 2.94Å; P104-F108 PolarHBondContact O-N 3Å
105	L	98.3	Very high	97.4	Very high	116 Å²	116	80.3 Å²	80.3	61%	0.607	41%	0.406	S	S	*	.	H	α-helix	trans	-64.4	-39.8	-174.2	180	60.6	0	0	0	111.9	H103 L107 F108 E109	H103-L105 PolarHBondContact O-N 3.12Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 PolarHBondContact O-N 2.93Å; L105-F108 WeakPolarHBondContact O-CA 3.35Å; L105-F108 WeakPolarHBondContact O-CB 3.05Å; L105-F108 PolarHBondContact O-N 3.46Å; L105-E109 HydrophobicContact CD1-CG 4.47Å; L105-E109 HydrophobicContact CG-CG 4.39Å; L105-E109 WeakPolarHBondContact O-CG 3.37Å; L105-E109 PolarHBondContact O-N 3.43Å
106	D	98.2	Very high	97.4	Very high	113 Å²	113	77.6 Å²	77.6	60%	0.604	40%	0.396	S	S	*	.	H	α-helix	trans	-56.6	-37.7	176.2	65.3	-39.2	0	0	0	112.8	P104 E109 K110	P104-D106 VanDerWaalsContact C-N 3.33Å; P104-D106 WeakPolarHBondContact CB-OD1 3.37Å; P104-D106 PolarHBondContact O-N 3.37Å; D106-E109 PolarHBondContact O-N 2.64Å; D106-K110 VanDerWaalsContact O-CB 3.3Å; D106-K110 WeakPolarHBondContact O-CB 3.42Å; D106-K110 PolarHBondContact O-N 3.46Å
107	L	96.9	Very high	97.6	Very high	51 Å²	51	79.9 Å²	79.9	27%	0.267	41%	0.407	S	S	.	.	H	α-helix	trans	-68.2	-38.3	175.6	-175.3	62	0	0	0	111.7	V90 C92 P104 L105 V111	V90-L107 HydrophobicContact CB-CD2 4.42Å; V90-L107 HydrophobicContact CG1-CD1 3.84Å; V90-L107 HydrophobicContact CG1-CG 4.27Å; V90-L107 HydrophobicContact CG2-CG 4.49Å; C92-L107 HydrophobicContact CB-CD2 4.32Å; P104-L107 HydrophobicContact CB-CB 4.29Å; P104-L107 PolarHBondContact O-N 2.94Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 PolarHBondContact O-N 2.93Å; L107-V111 WeakPolarHBondContact O-CG2 3.19Å; L107-V111 PolarHBondContact O-N 3.28Å
108	F	97.9	Very high	97.7	Very high	70 Å²	70	75.4 Å²	75.4	31%	0.307	38%	0.38	S	S	.	.	H	α-helix	trans	-64.4	-49.5	175.2	180	-82.6	0	0	0	110.1	H103 P104 L105 K110 V111 I112 A161 A164	H103-F108 PolarHBondContact CE1-N 2.66Å; P104-F108 PolarHBondContact O-N 3Å; L105-F108 WeakPolarHBondContact O-CA 3.35Å; L105-F108 WeakPolarHBondContact O-CB 3.05Å; L105-F108 PolarHBondContact O-N 3.46Å; F108-K110 VanDerWaalsContact C-N 3.32Å; F108-K110 PolarHBondContact O-N 3.45Å; F108-V111 PolarHBondContact O-N 3.32Å; F108-I112 HydrophobicContact CD1-CG1 3.94Å; F108-I112 HydrophobicContact CE1-CD1 4.17Å; F108-I112 HydrophobicContact CE1-CG1 3.55Å; F108-I112 HydrophobicContact CZ-CD1 4.17Å; F108-I112 HydrophobicContact CZ-CG1 4.05Å; F108-I112 WeakPolarHBondContact O-CG1 3.42Å; F108-I112 PolarHBondContact O-N 3.46Å; F108-A161 HydrophobicContact CB-CB 4.37Å; F108-A161 HydrophobicContact CD2-CB 3.52Å; F108-A161 HydrophobicContact CE2-CB 4.09Å; F108-A161 HydrophobicContact CG-CB 4.16Å; F108-A164 HydrophobicContact CE2-CB 4.35Å; F108-A164 HydrophobicContact CZ-CB 4.22Å
109	E	98.4	Very high	97.9	Very high	113 Å²	113	69.4 Å²	69.4	53%	0.528	34%	0.343	S	S	.	.	H	α-helix	trans	-58.1	-42.7	177.8	-71.1	178	178	0	0	112	L105 D106 V111 I112 K113	L105-E109 HydrophobicContact CD1-CG 4.47Å; L105-E109 HydrophobicContact CG-CG 4.39Å; L105-E109 WeakPolarHBondContact O-CG 3.37Å; L105-E109 PolarHBondContact O-N 3.43Å; D106-E109 PolarHBondContact O-N 2.64Å; E109-V111 PolarHBondContact O-N 2.99Å; E109-I112 PolarHBondContact O-N 3.44Å; E109-K113 VanDerWaalsContact O-CB 3.25Å; E109-K113 WeakPolarHBondContact O-CB 3.33Å; E109-K113 PolarHBondContact O-N 3.3Å
110	K	97.9	Very high	98.1	Very high	124 Å²	124	66.3 Å²	66.3	54%	0.539	33%	0.332	S	S	.	.	H	α-helix	trans	-58.8	-45	176.8	-176.6	175.1	-178.1	174.7	0	112.1	L88 D106 F108 K113 T114	L88-K110 HydrophobicContact CD2-CD 4.24Å; L88-K110 HydrophobicContact CD2-CG 4.16Å; D106-K110 VanDerWaalsContact O-CB 3.3Å; D106-K110 WeakPolarHBondContact O-CB 3.42Å; D106-K110 PolarHBondContact O-N 3.46Å; F108-K110 VanDerWaalsContact C-N 3.32Å; F108-K110 PolarHBondContact O-N 3.45Å; K110-K113 PolarHBondContact O-N 2.61Å; K110-T114 PolarHBondContact O-N 3.48Å; K110-T114 PolarHBondContact O-OG1 2.87Å
111	V	97.6	Very high	98.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-44.7	178.2	174.1	0	0	0	0	111	L88 V90 L107 F108 E109 K113 N115 A161	L88-V111 HydrophobicContact CD2-CG2 3.92Å; L88-V111 HydrophobicContact CG-CG2 4.31Å; V90-V111 HydrophobicContact CB-CG2 4.24Å; V90-V111 HydrophobicContact CG1-CG2 3.58Å; V90-V111 HydrophobicContact CG2-CG2 3.6Å; L107-V111 WeakPolarHBondContact O-CG2 3.19Å; L107-V111 PolarHBondContact O-N 3.28Å; F108-V111 PolarHBondContact O-N 3.32Å; E109-V111 PolarHBondContact O-N 2.99Å; V111-K113 VanDerWaalsContact C-N 3.34Å; V111-K113 PolarHBondContact O-N 2.74Å; V111-N115 WeakPolarHBondContact O-CB 3.23Å; V111-N115 PolarHBondContact O-N 2.91Å; V111-A161 HydrophobicContact CB-CB 4.03Å; V111-A161 HydrophobicContact CG1-CB 4.08Å; V111-A161 HydrophobicContact CG2-CB 4.23Å
112	I	98.5	Very high	98.2	Very high	31 Å²	31	57.1 Å²	57.1	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-61.6	-44	175.5	-64.6	-60.1	0	0	0	110.8	F108 E109 L116 I117 A164	F108-I112 HydrophobicContact CD1-CG1 3.94Å; F108-I112 HydrophobicContact CE1-CD1 4.17Å; F108-I112 HydrophobicContact CE1-CG1 3.55Å; F108-I112 HydrophobicContact CZ-CD1 4.17Å; F108-I112 HydrophobicContact CZ-CG1 4.05Å; F108-I112 WeakPolarHBondContact O-CG1 3.42Å; F108-I112 PolarHBondContact O-N 3.46Å; E109-I112 PolarHBondContact O-N 3.44Å; I112-L116 HydrophobicContact CG2-CB 4.42Å; I112-L116 HydrophobicContact CG2-CD2 4.39Å; I112-L116 WeakPolarHBondContact O-CA 3.47Å; I112-L116 WeakPolarHBondContact O-CB 3.42Å; I112-L116 PolarHBondContact O-N 3.28Å; I112-I117 HydrophobicContact CG2-CD1 4.29Å; I112-I117 HydrophobicContact CG2-CG1 4.29Å; I112-I117 PolarHBondContact O-N 2.85Å; I112-A164 HydrophobicContact CD1-CB 4.18Å
113	K	98.5	Very high	98.2	Very high	113 Å²	113	53.3 Å²	53.3	49%	0.491	26%	0.26	S	S	.	.	I	π-helix	trans	-62.8	-47.5	-178.5	-173.3	162.2	-178.8	174.8	0	112.2	G60 E109 K110 V111 I117 G118	G60-K113 VanDerWaalsContact O-CE 3.26Å; G60-K113 WeakPolarHBondContact O-CE 3.44Å; E109-K113 VanDerWaalsContact O-CB 3.25Å; E109-K113 WeakPolarHBondContact O-CB 3.33Å; E109-K113 PolarHBondContact O-N 3.3Å; K110-K113 PolarHBondContact O-N 2.61Å; V111-K113 VanDerWaalsContact C-N 3.34Å; V111-K113 PolarHBondContact O-N 2.74Å; K113-I117 WeakPolarHBondContact O-CB 3.25Å; K113-G118 PolarHBondContact O-N 2.72Å
114	T	98.1	Very high	98.3	Very high	28 Å²	28	56.7 Å²	56.7	17%	0.172	27%	0.271	C	S	.	.	I	π-helix	trans	-71.3	-52.1	178.2	-57.9	0	0	0	0	111.8	V59 K110 G118	V59-T114 HydrophobicContact CG2-CG2 4.22Å; V59-T114 WeakPolarHBondContact CG2-O 3.33Å; K110-T114 PolarHBondContact O-N 3.48Å; K110-T114 PolarHBondContact O-OG1 2.87Å; T114-G118 WeakPolarHBondContact O-CA 3.48Å
115	N	98.4	Very high	98.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-78.8	-46.6	-167.6	-65	6.7	0	0	0	112.3	G87 L88 V111 T119 S165 I169	G87-N115 WeakPolarHBondContact CA-OD1 3.37Å; L88-N115 PolarHBondContact N-OD1 3Å; L88-N115 PolarHBondContact O-ND2 3.41Å; V111-N115 WeakPolarHBondContact O-CB 3.23Å; V111-N115 PolarHBondContact O-N 2.91Å; N115-T119 WeakPolarHBondContact O-CB 3.37Å; N115-T119 PolarHBondContact O-OG1 2.91Å; N115-S165 WeakPolarHBondContact CB-OG 3.34Å; N115-S165 PolarHBondContact ND2-OG 3.21Å; N115-I169 WeakPolarHBondContact O-CD1 3.38Å
116	L	98.7	Very high	98.4	Very high	41 Å²	41	50 Å²	50	22%	0.215	23%	0.232	C	C	.	.	I	π-helix	trans	-94.9	-59.8	-171.9	177.2	58.7	0	0	0	110.9	I112 G118 T119 Y120 I169 L172	I112-L116 HydrophobicContact CG2-CB 4.42Å; I112-L116 HydrophobicContact CG2-CD2 4.39Å; I112-L116 WeakPolarHBondContact O-CA 3.47Å; I112-L116 WeakPolarHBondContact O-CB 3.42Å; I112-L116 PolarHBondContact O-N 3.28Å; L116-G118 VanDerWaalsContact C-N 3.31Å; L116-G118 PolarHBondContact O-N 2.74Å; L116-T119 PolarHBondContact O-N 2.86Å; L116-Y120 PolarHBondContact O-N 2.98Å; L116-I169 HydrophobicContact CD1-CG1 4.24Å; L116-L172 HydrophobicContact CD1-CD2 3.56Å
117	I	98.7	Very high	98.4	Very high	88 Å²	88	44.9 Å²	44.9	45%	0.451	21%	0.206	S	C	.	.	I	π-helix	trans	-62	-44.3	-179.1	-60.3	177.1	0	0	0	109.3	I112 K113 T119 Y120 N121	I112-I117 HydrophobicContact CG2-CD1 4.29Å; I112-I117 HydrophobicContact CG2-CG1 4.29Å; I112-I117 PolarHBondContact O-N 2.85Å; K113-I117 WeakPolarHBondContact O-CB 3.25Å; I117-T119 PolarHBondContact O-N 2.98Å; I117-Y120 PolarHBondContact O-N 3.34Å; I117-N121 WeakPolarHBondContact O-CB 3.41Å; I117-N121 PolarHBondContact O-N 3.32Å
118	G	98.8	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-41.3	178.2	0	0	0	0	0	113.8	V59 K113 T114 L116 N121 M122	V59-G118 WeakPolarHBondContact O-CA 3.14Å; K113-G118 PolarHBondContact O-N 2.72Å; T114-G118 WeakPolarHBondContact O-CA 3.48Å; L116-G118 VanDerWaalsContact C-N 3.31Å; L116-G118 PolarHBondContact O-N 2.74Å; G118-N121 WeakPolarHBondContact O-CB 3.33Å; G118-N121 PolarHBondContact O-N 3.49Å; G118-M122 WeakPolarHBondContact O-CG 3.38Å; G118-M122 PolarHBondContact O-N 2.92Å
119	T	98.9	Very high	98.2	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-50.6	172.7	-68.3	0	0	0	0	110.8	N84 N115 L116 I117 N121 M122 I123 N146 I169	N84-T119 HydrophobicContact CB-CG2 4.08Å; N115-T119 WeakPolarHBondContact O-CB 3.37Å; N115-T119 PolarHBondContact O-OG1 2.91Å; L116-T119 PolarHBondContact O-N 2.86Å; I117-T119 PolarHBondContact O-N 2.98Å; T119-N121 VanDerWaalsContact C-N 3.3Å; T119-N121 PolarHBondContact O-N 2.82Å; T119-M122 PolarHBondContact O-N 2.86Å; T119-I123 HydrophobicContact CG2-CD1 3.84Å; T119-I123 HydrophobicContact CG2-CG1 4.5Å; T119-I123 VanDerWaalsContact O-CG1 3.25Å; T119-I123 WeakPolarHBondContact O-CG1 3.39Å; T119-I123 PolarHBondContact O-N 3.42Å; T119-N146 HydrophobicContact CG2-CB 4.28Å; T119-I169 HydrophobicContact CG2-CG1 4.42Å
120	Y	98.8	Very high	98.2	Very high	127 Å²	127	37.2 Å²	37.2	50%	0.498	18%	0.183	S	C	.	.	H	α-helix	trans	-62.7	-37.2	178.6	-178.4	-109	0	0	0	112.6	L116 I117 M122 I123 R124	L116-Y120 PolarHBondContact O-N 2.98Å; I117-Y120 PolarHBondContact O-N 3.34Å; Y120-M122 PolarHBondContact O-N 2.9Å; Y120-I123 WeakPolarHBondContact O-CB 3.25Å; Y120-I123 PolarHBondContact O-N 2.86Å; Y120-R124 PolarHBondContact O-N 2.93Å
121	N	98.7	Very high	98.2	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.053	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-44.3	177.3	-172.5	35.1	0	0	0	111.6	V59 S61 A65 I117 G118 T119 R124 L125	V59-N121 PolarHBondContact O-ND2 3.26Å; S61-N121 PolarHBondContact O-ND2 2.67Å; A65-N121 WeakPolarHBondContact CB-ND2 3.32Å; I117-N121 WeakPolarHBondContact O-CB 3.41Å; I117-N121 PolarHBondContact O-N 3.32Å; G118-N121 WeakPolarHBondContact O-CB 3.33Å; G118-N121 PolarHBondContact O-N 3.49Å; T119-N121 VanDerWaalsContact C-N 3.3Å; T119-N121 PolarHBondContact O-N 2.82Å; N121-R124 VanDerWaalsContact O-CG 3.24Å; N121-R124 WeakPolarHBondContact O-CG 3.07Å; N121-R124 VanDerWaalsContact OD1-CZ 3.29Å; N121-R124 PolarHBondContact OD1-NE 2.78Å; N121-R124 PolarHBondContact OD1-NH2 2.69Å; N121-L125 WeakPolarHBondContact O-CG 3.4Å; N121-L125 PolarHBondContact O-N 3.4Å
122	M	98.8	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-40.6	175.2	-67.2	-62.4	-55.6	0	0	111.9	I11 T13 V59 A65 V69 L82 N84 G118 T119 Y120 L125 A126	I11-M122 HydrophobicContact CG2-CE 3.85Å; T13-M122 HydrophobicContact CG2-CE 3.97Å; T13-M122 HydrophobicContact CG2-CG 3.98Å; T13-M122 HydrophobicContact CG2-SD 4.46Å; V59-M122 HydrophobicContact CB-CG 4.16Å; V59-M122 HydrophobicContact CG1-CG 3.87Å; V59-M122 HydrophobicContact CG1-SD 4.3Å; A65-M122 HydrophobicContact CB-SD 3.51Å; A65-M122 VanDerWaalsContact CB-SD 3.51Å; V69-M122 HydrophobicContact CG2-CE 4.33Å; L82-M122 HydrophobicContact CD1-CB 4.42Å; L82-M122 HydrophobicContact CD1-CE 4.4Å; L82-M122 HydrophobicContact CD2-CB 4.13Å; N84-M122 WeakPolarHBondContact OD1-CB 3.28Å; G118-M122 WeakPolarHBondContact O-CG 3.38Å; G118-M122 PolarHBondContact O-N 2.92Å; T119-M122 PolarHBondContact O-N 2.86Å; Y120-M122 PolarHBondContact O-N 2.9Å; M122-L125 PolarHBondContact O-N 2.78Å; M122-A126 WeakPolarHBondContact O-CB 3.36Å; M122-A126 PolarHBondContact O-N 3.01Å
123	I	98.8	Very high	98	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-56.3	175.8	-72.4	170.5	0	0	0	110.8	L82 T119 Y120 L125 A126 S127 I144 L172 V176	L82-I123 HydrophobicContact CD2-CG1 4.2Å; T119-I123 HydrophobicContact CG2-CD1 3.84Å; T119-I123 HydrophobicContact CG2-CG1 4.5Å; T119-I123 VanDerWaalsContact O-CG1 3.25Å; T119-I123 WeakPolarHBondContact O-CG1 3.39Å; T119-I123 PolarHBondContact O-N 3.42Å; Y120-I123 WeakPolarHBondContact O-CB 3.25Å; Y120-I123 PolarHBondContact O-N 2.86Å; I123-L125 VanDerWaalsContact C-N 3.27Å; I123-L125 PolarHBondContact O-N 2.98Å; I123-A126 PolarHBondContact O-N 3.4Å; I123-S127 WeakPolarHBondContact O-CB 3Å; I123-S127 PolarHBondContact O-N 3.39Å; I123-S127 PolarHBondContact O-OG 3.43Å; I123-I144 HydrophobicContact CD1-CG2 4.22Å; I123-I144 HydrophobicContact CG1-CG2 3.83Å; I123-I144 HydrophobicContact CG2-CD1 4.02Å; I123-L172 HydrophobicContact CD1-CD1 3.96Å; I123-V176 HydrophobicContact CG2-CG1 3.8Å; I123-V176 HydrophobicContact CG2-CG2 4.42Å
124	R	98.3	Very high	97.8	Very high	97 Å²	97	38.7 Å²	38.7	37%	0.366	21%	0.208	S	C	.	.	H	α-helix	trans	-62	-35.6	-174.1	69.2	174.6	-174.5	106.6	2.9	112.3	E62 Y120 N121	E62-R124 VanDerWaalsContact CG-NH2 3.33Å; E62-R124 IonicContact OE1-CZ 3.49Å; E62-R124 IonicContact OE1-NH1 3.64Å; E62-R124 PolarHBondContact OE1-NH1 2.82Å; E62-R124 IonicContact OE1-NH2 2.69Å; E62-R124 PolarHBondContact OE1-NH2 3.04Å; E62-R124 IonicContact OE2-NH2 2.67Å; Y120-R124 PolarHBondContact O-N 2.93Å; N121-R124 VanDerWaalsContact O-CG 3.24Å; N121-R124 WeakPolarHBondContact O-CG 3.07Å; N121-R124 VanDerWaalsContact OD1-CZ 3.29Å; N121-R124 PolarHBondContact OD1-NE 2.78Å; N121-R124 PolarHBondContact OD1-NH2 2.69Å
125	L	98.1	Very high	97.6	Very high	35 Å²	35	39.6 Å²	39.6	18%	0.183	21%	0.214	C	C	.	.	H	α-helix	trans	-79.9	-44.9	-177.9	-67.3	171.2	0	0	0	111.7	A65 K66 V69 N121 M122 I123 S127 G128	A65-L125 HydrophobicContact CB-CD1 3.61Å; K66-L125 HydrophobicContact CB-CD1 4.38Å; V69-L125 HydrophobicContact CG2-CB 3.9Å; N121-L125 WeakPolarHBondContact O-CG 3.4Å; N121-L125 PolarHBondContact O-N 3.4Å; M122-L125 PolarHBondContact O-N 2.78Å; I123-L125 VanDerWaalsContact C-N 3.27Å; I123-L125 PolarHBondContact O-N 2.98Å; L125-S127 VanDerWaalsContact C-N 3.32Å; L125-S127 PolarHBondContact O-N 3.17Å; L125-G128 PolarHBondContact O-N 3.03Å
126	A	98.5	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-35.8	179	0	0	0	0	0	112.5	L79 L82 M122 I123 G128 L129 M130	L79-A126 HydrophobicContact CD2-CB 3.66Å; L82-A126 HydrophobicContact CB-CB 4.41Å; L82-A126 HydrophobicContact CD2-CB 3.81Å; M122-A126 WeakPolarHBondContact O-CB 3.36Å; M122-A126 PolarHBondContact O-N 3.01Å; I123-A126 PolarHBondContact O-N 3.4Å; A126-G128 VanDerWaalsContact C-N 3.25Å; A126-G128 PolarHBondContact O-N 3.15Å; A126-L129 PolarHBondContact O-N 2.8Å; A126-M130 HydrophobicContact CB-CE 4.49Å; A126-M130 PolarHBondContact O-N 3.49Å; A126-M130 VanDerWaalsContact O-N 3.13Å
127	S	98.5	Very high	97	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-41.2	179.8	-60.5	0	0	0	0	111.5	I123 L125 L129 M130 I131 L180	I123-S127 WeakPolarHBondContact O-CB 3Å; I123-S127 PolarHBondContact O-N 3.39Å; I123-S127 PolarHBondContact O-OG 3.43Å; L125-S127 VanDerWaalsContact C-N 3.32Å; L125-S127 PolarHBondContact O-N 3.17Å; S127-L129 PolarHBondContact O-N 3.3Å; S127-M130 PolarHBondContact O-N 2.95Å; S127-M130 VanDerWaalsContact O-N 3.07Å; S127-I131 VanDerWaalsContact O-CG1 3.28Å; S127-I131 WeakPolarHBondContact O-CG1 3.41Å; S127-I131 PolarHBondContact O-N 2.91Å; S127-L180 WeakPolarHBondContact OG-CD1 3.21Å
128	G	95.6	Very high	96.8	Very high	47 Å²	47	45.8 Å²	45.8	49%	0.485	26%	0.263	S	S	.	.	H	α-helix	trans	-58.5	-33.1	177.7	0	0	0	0	0	114	L125 A126	L125-G128 PolarHBondContact O-N 3.03Å; A126-G128 VanDerWaalsContact C-N 3.25Å; A126-G128 PolarHBondContact O-N 3.15Å
129	L	96.1	Very high	96.5	Very high	27 Å²	27	49.4 Å²	49.4	14%	0.141	28%	0.282	C	S	.	.	H	α-helix	trans	-77.1	-38.9	173.9	-64.1	-170.9	0	0	0	112.5	V69 K73 L79 A126 S127 I131 A132	V69-L129 HydrophobicContact CG1-CD1 3.42Å; V69-L129 VanDerWaalsContact CG1-CD1 3.42Å; V69-L129 HydrophobicContact CG1-CG 3.75Å; V69-L129 WeakPolarHBondContact O-CD1 3.25Å; K73-L129 HydrophobicContact CB-CD1 3.9Å; K73-L129 HydrophobicContact CB-CD2 4.2Å; K73-L129 HydrophobicContact CD-CD2 3.78Å; K73-L129 HydrophobicContact CG-CD2 4.15Å; L79-L129 HydrophobicContact CB-CB 3.88Å; L79-L129 HydrophobicContact CB-CD1 4.12Å; L79-L129 HydrophobicContact CD2-CB 4.28Å; L79-L129 HydrophobicContact CD2-CD1 4.19Å; A126-L129 PolarHBondContact O-N 2.8Å; S127-L129 PolarHBondContact O-N 3.3Å; L129-I131 VanDerWaalsContact C-N 3.33Å; L129-I131 PolarHBondContact O-N 3.45Å; L129-A132 PolarHBondContact O-N 3.23Å
130	M	98.3	Very high	96.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-41.4	179	-69.2	177.6	-176.3	0	0	111.4	L79 L82 A126 S127 A132 N133 R141 I144 I185	L79-M130 HydrophobicContact CD2-CE 4.38Å; L79-M130 HydrophobicContact CG-CE 4.23Å; L79-M130 HydrophobicContact CG-CG 4.42Å; L79-M130 VanDerWaalsContact O-CG 3.28Å; L79-M130 WeakPolarHBondContact O-CG 3.32Å; L82-M130 HydrophobicContact CB-CE 3.68Å; A126-M130 HydrophobicContact CB-CE 4.49Å; A126-M130 PolarHBondContact O-N 3.49Å; A126-M130 VanDerWaalsContact O-N 3.13Å; S127-M130 PolarHBondContact O-N 2.95Å; S127-M130 VanDerWaalsContact O-N 3.07Å; M130-A132 PolarHBondContact O-N 3.37Å; M130-N133 WeakPolarHBondContact O-CB 3.04Å; M130-N133 PolarHBondContact O-N 2.9Å; M130-N133 PolarHBondContact O-ND2 3.16Å; M130-R141 WeakPolarHBondContact O-CB 3.41Å; M130-I144 HydrophobicContact CE-CG1 4.15Å; M130-I144 HydrophobicContact SD-CG1 4.08Å; M130-I185 HydrophobicContact CB-CD1 3.56Å; M130-I185 HydrophobicContact CB-CG1 3.96Å; M130-I185 HydrophobicContact SD-CD1 4.36Å; M130-I185 HydrophobicContact SD-CG1 4.44Å; M130-I185 HydrophobicContact SD-CG2 3.98Å
131	I	97.4	Very high	96.3	Very high	63 Å²	63	48.1 Å²	48.1	32%	0.323	28%	0.278	S	S	.	.	H	α-helix	trans	-57.4	-32.7	178.4	-64.8	172.3	0	0	0	111.5	S127 L129 N133 R141 E183 I185	S127-I131 VanDerWaalsContact O-CG1 3.28Å; S127-I131 WeakPolarHBondContact O-CG1 3.41Å; S127-I131 PolarHBondContact O-N 2.91Å; L129-I131 VanDerWaalsContact C-N 3.33Å; L129-I131 PolarHBondContact O-N 3.45Å; I131-N133 VanDerWaalsContact C-N 3.29Å; I131-N133 PolarHBondContact O-N 2.74Å; I131-R141 WeakPolarHBondContact O-CD 3.39Å; I131-R141 PolarHBondContact O-NH1 2.9Å; I131-E183 HydrophobicContact CD1-CB 4.13Å; I131-E183 HydrophobicContact CD1-CG 4.08Å; I131-E183 HydrophobicContact CG1-CB 3.81Å; I131-E183 HydrophobicContact CG1-CG 4.31Å; I131-I185 HydrophobicContact CG1-CD1 3.72Å
132	A	95.9	Very high	96.2	Very high	79 Å²	79	47.7 Å²	47.7	65%	0.653	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-7	179.9	0	0	0	0	0	114.5	L129 M130	L129-A132 PolarHBondContact O-N 3.23Å; M130-A132 PolarHBondContact O-N 3.37Å
133	N	96.4	Very high	96.2	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	28%	0.278	C	S	.	.	S	Bend	trans	-72	147	175	-65.3	-26.1	0	0	0	110.8	K78 L79 H80 M130 I131 R141	K78-N133 WeakPolarHBondContact CB-OD1 3.36Å; L79-N133 PolarHBondContact O-ND2 2.97Å; H80-N133 PolarHBondContact CD2-ND2 3.31Å; M130-N133 WeakPolarHBondContact O-CB 3.04Å; M130-N133 PolarHBondContact O-N 2.9Å; M130-N133 PolarHBondContact O-ND2 3.16Å; I131-N133 VanDerWaalsContact C-N 3.29Å; I131-N133 PolarHBondContact O-N 2.74Å; N133-R141 HydrophobicContact CB-CB 4.34Å; N133-R141 PolarHBondContact ND2-O 3.31Å; N133-R141 WeakPolarHBondContact O-CD 3.5Å; N133-R141 PolarHBondContact O-NH1 2.94Å
134	E	94.2	Very high	96.2	Very high	153 Å²	153	47.7 Å²	47.7	72%	0.715	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-58.7	131.4	165.3	-66.2	-55.6	138.2	0	0	110.6
135	P	94.7	Very high	96.3	Very high	47 Å²	47	43.1 Å²	43.1	31%	0.305	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-72.3	153.7	177.9	31.3	-32.8	0	0	0	111.1	N139 Q140 R141	P135-N139 WeakPolarHBondContact CB-OD1 3.33Å; P135-Q140 WeakPolarHBondContact CA-O 3.39Å; P135-R141 HydrophobicContact CB-CG 4.06Å
136	D	92	Very high	96.3	Very high	50 Å²	50	41.4 Å²	41.4	27%	0.267	25%	0.251	S	S	.	.			trans	-83.2	-172.7	166.8	67.8	24.7	0	0	0	112.7	M1 D138 N139 Q140	M1-D136 WeakPolarHBondContact CA-OD2 3.13Å; M1-D136 PolarHBondContact N-OD2 3Å; D136-D138 PolarHBondContact O-N 2.84Å; D136-D138 WeakPolarHBondContact OD1-CA 3.41Å; D136-D138 PolarHBondContact OD1-N 2.8Å; D136-N139 PolarHBondContact O-N 3.29Å; D136-N139 PolarHBondContact OD1-N 3.35Å; D136-Q140 PolarHBondContact N-O 2.8Å; D136-Q140 WeakPolarHBondContact OD1-CB 3.36Å; D136-Q140 PolarHBondContact OD1-N 3.15Å; D136-Q140 WeakPolarHBondContact OD2-CB 3.41Å
137	A	92.6	Very high	96.3	Very high	108 Å²	108	41.9 Å²	41.9	89%	0.893	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.7	-179	0	0	0	0	0	114.5	N139	A137-N139 VanDerWaalsContact C-N 3.34Å
138	D	92.7	Very high	96.3	Very high	101 Å²	101	41.7 Å²	41.7	54%	0.54	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	18.3	177.6	-61.7	-49	0	0	0	111.5	D136 Q140	D136-D138 PolarHBondContact O-N 2.84Å; D136-D138 WeakPolarHBondContact OD1-CA 3.41Å; D136-D138 PolarHBondContact OD1-N 2.8Å; D138-Q140 HydrophobicContact CB-CG 4.01Å; D138-Q140 PolarHBondContact O-N 3.19Å; D138-Q140 PolarHBondContact O-NE2 3.47Å
139	N	93.6	Very high	96.3	Very high	75 Å²	75	40 Å²	40	40%	0.401	23%	0.232	S	C	.	.	S	Bend	trans	57.1	26.8	-174.1	-168.1	44.9	0	0	0	113.7	P135 D136 A137 G184	P135-N139 WeakPolarHBondContact CB-OD1 3.33Å; D136-N139 PolarHBondContact O-N 3.29Å; D136-N139 PolarHBondContact OD1-N 3.35Å; A137-N139 VanDerWaalsContact C-N 3.34Å; N139-G184 WeakPolarHBondContact O-CA 3.47Å
140	Q	95.7	Very high	96.2	Very high	47 Å²	47	39 Å²	39	22%	0.22	23%	0.227	C	C	.	.			trans	-89.8	142.3	179.8	-53.5	-64.2	-71.1	0	0	111.5	P135 D136 D138 G184	P135-Q140 WeakPolarHBondContact CA-O 3.39Å; D136-Q140 PolarHBondContact N-O 2.8Å; D136-Q140 WeakPolarHBondContact OD1-CB 3.36Å; D136-Q140 PolarHBondContact OD1-N 3.15Å; D136-Q140 WeakPolarHBondContact OD2-CB 3.41Å; D138-Q140 HydrophobicContact CB-CG 4.01Å; D138-Q140 PolarHBondContact O-N 3.19Å; D138-Q140 PolarHBondContact O-NE2 3.47Å; Q140-G184 CarbonylContact C-O 3.55Å; Q140-G184 WeakPolarHBondContact CA-O 3.44Å
141	R	97.2	Very high	96	Very high	57 Å²	57	39.2 Å²	39.2	22%	0.215	23%	0.229	C	C	.	.			trans	-127.9	-25.8	-176.6	-61.1	-172.5	-172.3	-116.4	-4.2	113.7	M130 I131 N133 P135 E183 G184	M130-R141 WeakPolarHBondContact O-CB 3.41Å; I131-R141 WeakPolarHBondContact O-CD 3.39Å; I131-R141 PolarHBondContact O-NH1 2.9Å; N133-R141 HydrophobicContact CB-CB 4.34Å; N133-R141 PolarHBondContact ND2-O 3.31Å; N133-R141 WeakPolarHBondContact O-CD 3.5Å; N133-R141 PolarHBondContact O-NH1 2.94Å; P135-R141 HydrophobicContact CB-CG 4.06Å; R141-E183 WeakPolarHBondContact CD-O 3.36Å; R141-G184 PolarHBondContact N-O 3.12Å
142	G	97.9	Very high	95.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	168.8	-179	0	0	0	0	0	115.1	H80 G184 I185 R186	H80-G142 CarbonylContact O-C 3.59Å; H80-G142 WeakPolarHBondContact O-CA 3.31Å; G142-G184 PolarHBondContact N-O 3.31Å; G142-I185 WeakPolarHBondContact O-CA 3.21Å; G142-R186 PolarHBondContact O-N 3.5Å; G142-R186 VanDerWaalsContact O-N 3.12Å
143	V	98.7	Very high	95.8	Very high	5 Å²	5	39 Å²	39	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	128.2	179.8	-170.1	0	0	0	0	109.9	F2 H80 I81 L82 I145 R186 I237 L238	F2-V143 HydrophobicContact CE2-CG2 4.07Å; H80-V143 PolarHBondContact O-N 3.26Å; I81-V143 WeakPolarHBondContact CA-O 3.45Å; L82-V143 PolarHBondContact N-O 3.48Å; V143-I145 HydrophobicContact CG1-CD1 4.19Å; V143-I145 HydrophobicContact CG1-CG1 3.93Å; V143-R186 HydrophobicContact CG1-CB 4.41Å; V143-I237 HydrophobicContact CG1-CG2 4.17Å; V143-L238 HydrophobicContact CB-CD2 3.83Å; V143-L238 HydrophobicContact CG1-CD2 4.04Å; V143-L238 HydrophobicContact CG2-CD2 4.12Å
144	I	98.9	Very high	95.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.5	174.2	-61.7	175.2	0	0	0	108.1	L82 I123 M130 L180 I185 R186 C187 V188	L82-I144 HydrophobicContact CB-CG1 4.36Å; L82-I144 HydrophobicContact CD2-CG2 4.36Å; L82-I144 CarbonylContact O-C 3.56Å; L82-I144 WeakPolarHBondContact O-CA 3.44Å; I123-I144 HydrophobicContact CD1-CG2 4.22Å; I123-I144 HydrophobicContact CG1-CG2 3.83Å; I123-I144 HydrophobicContact CG2-CD1 4.02Å; M130-I144 HydrophobicContact CE-CG1 4.15Å; M130-I144 HydrophobicContact SD-CG1 4.08Å; I144-L180 HydrophobicContact CD1-CD1 3.87Å; I144-I185 HydrophobicContact CD1-CG2 3.86Å; I144-I185 HydrophobicContact CG1-CG2 3.96Å; I144-R186 PolarHBondContact N-O 3.18Å; I144-C187 HydrophobicContact CB-CB 4.37Å; I144-C187 WeakPolarHBondContact O-CA 3.23Å; I144-V188 PolarHBondContact O-N 3.27Å
145	I	98.9	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115	179.6	-57	171.8	0	0	0	108.4	L82 V83 N84 V143 V188 I190 V234 I237 L238	L82-I145 PolarHBondContact O-N 3.46Å; V83-I145 CarbonylContact C-O 3.51Å; V83-I145 WeakPolarHBondContact CA-O 3.28Å; V83-I145 HydrophobicContact CG1-CB 4.27Å; V83-I145 HydrophobicContact CG1-CG2 4.35Å; V83-I145 HydrophobicContact CG2-CB 4.47Å; N84-I145 PolarHBondContact N-O 3.37Å; V143-I145 HydrophobicContact CG1-CD1 4.19Å; V143-I145 HydrophobicContact CG1-CG1 3.93Å; I145-V188 CarbonylContact C-O 3.59Å; I145-V188 VanDerWaalsContact CA-O 3.28Å; I145-V188 WeakPolarHBondContact CA-O 3.48Å; I145-I190 HydrophobicContact CG2-CD1 3.83Å; I145-I190 HydrophobicContact CG2-CG1 4.1Å; I145-V234 HydrophobicContact CD1-CB 4.42Å; I145-V234 HydrophobicContact CD1-CG1 3.67Å; I145-V234 HydrophobicContact CG2-CG2 4.35Å; I145-I237 HydrophobicContact CD1-CB 3.98Å; I145-I237 HydrophobicContact CD1-CD1 4.46Å; I145-I237 HydrophobicContact CD1-CG2 3.77Å; I145-I237 HydrophobicContact CG1-CG2 3.92Å; I145-I237 HydrophobicContact CG2-CD1 4.08Å; I145-L238 HydrophobicContact CD1-CD2 3.94Å; I145-L238 HydrophobicContact CD1-CG 4.02Å
146	N	98.9	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	149.1	-179	-53.4	-47.1	0	0	0	111.6	N84 T119 I169 C187 V188 S189 I190	N84-N146 PolarHBondContact ND2-OD1 3.36Å; T119-N146 HydrophobicContact CG2-CB 4.28Å; N146-I169 HydrophobicContact CB-CG2 3.64Å; N146-C187 PolarHBondContact ND2-SG 2.68Å; N146-V188 PolarHBondContact N-O 3.46Å; N146-S189 CarbonylContact O-C 3.36Å; N146-S189 WeakPolarHBondContact O-CA 3.46Å; N146-I190 PolarHBondContact O-N 3.06Å
147	T	98.5	Very high	95	Very high	10 Å²	10	37.1 Å²	37.1	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	97.4	173.5	-52.9	0	0	0	0	110	L19 N84 K166 I169 P192 F230	L19-T147 HydrophobicContact CD1-CG2 4.18Å; N84-T147 VanDerWaalsContact O-CB 3.23Å; N84-T147 WeakPolarHBondContact O-CB 3.36Å; N84-T147 PolarHBondContact O-N 2.92Å; N84-T147 PolarHBondContact O-OG1 3.19Å; T147-K166 PolarHBondContact O-NZ 2.97Å; T147-I169 WeakPolarHBondContact O-CD1 3.45Å; T147-P192 HydrophobicContact CG2-CG 4.19Å; T147-F230 HydrophobicContact CG2-CE2 4.1Å; T147-F230 HydrophobicContact CG2-CZ 4.3Å; T147-F230 WeakPolarHBondContact OG1-CZ 3.21Å
148	A	97.8	Very high	95	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	18%	0.178	C	C	.	.			trans	-76.5	-145.3	165.1	0	0	0	0	0	110.1	I169 I190 A191 T247	A148-I169 HydrophobicContact CB-CG2 4.08Å; A148-I190 WeakPolarHBondContact CA-O 3.35Å; A148-I190 WeakPolarHBondContact CB-O 3.19Å; A148-I190 PolarHBondContact N-O 2.71Å; A148-A191 HydrophobicContact CB-CB 4.23Å; A148-T247 HydrophobicContact CB-CG2 4.14Å
149	S	96.1	Very high	95	Very high	11 Å²	11	30.3 Å²	30.3	8%	0.077	17%	0.165	C	C	.	.			trans	-168.8	155.5	170.8	178.5	0	0	0	0	108.8	A151 A152	S149-A151 PolarHBondContact O-N 3.32Å; S149-A151 WeakPolarHBondContact OG-CB 3.18Å; S149-A151 PolarHBondContact OG-N 3.26Å; S149-A151 VanDerWaalsContact OG-N 3.08Å; S149-A152 WeakPolarHBondContact O-CB 3.47Å; S149-A152 PolarHBondContact O-N 2.98Å
150	V	94.4	Very high	95.1	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.036	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.3	164.8	-61.7	0	0	0	0	112.3	A152 Y153 E154 P192 D251 L256	V150-A152 PolarHBondContact O-N 2.99Å; V150-A152 VanDerWaalsContact O-N 3.12Å; V150-Y153 PolarHBondContact O-N 3.29Å; V150-E154 PolarHBondContact O-N 3.04Å; V150-P192 PolarHBondContact N-O 3.11Å; V150-D251 HydrophobicContact CG1-CB 3.76Å; V150-L256 HydrophobicContact CG2-CD1 4.01Å
151	A	93.2	Very high	95.2	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-17.3	172.4	0	0	0	0	0	113.6	S149 Y153 G155 Y162 S163	S149-A151 PolarHBondContact O-N 3.32Å; S149-A151 WeakPolarHBondContact OG-CB 3.18Å; S149-A151 PolarHBondContact OG-N 3.26Å; S149-A151 VanDerWaalsContact OG-N 3.08Å; A151-Y153 PolarHBondContact O-N 3.38Å; A151-G155 WeakPolarHBondContact O-CA 3.37Å; A151-G155 PolarHBondContact O-N 3.34Å; A151-Y162 HydrophobicContact CB-CD1 3.74Å; A151-Y162 HydrophobicContact CB-CE1 3.74Å; A151-S163 WeakPolarHBondContact O-CB 3.48Å; A151-S163 PolarHBondContact O-OG 3.12Å
152	A	95.8	Very high	95.1	Very high	25 Å²	25	25.5 Å²	25.5	21%	0.207	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-24.1	170	0	0	0	0	0	112.8	S149 V150 K166 A170	S149-A152 WeakPolarHBondContact O-CB 3.47Å; S149-A152 PolarHBondContact O-N 2.98Å; V150-A152 PolarHBondContact O-N 2.99Å; V150-A152 VanDerWaalsContact O-N 3.12Å; A152-K166 HydrophobicContact CB-CB 4.05Å; A152-A170 HydrophobicContact CB-CB 4.42Å
153	Y	94.7	Very high	95.1	Very high	114 Å²	114	26.5 Å²	26.5	45%	0.447	16%	0.155	S	C	.	.	H	α-helix	trans	-116.5	-36.7	-175.5	-46.9	-64.1	0	0	0	111.9	V150 A151 A191 T247	V150-Y153 PolarHBondContact O-N 3.29Å; A151-Y153 PolarHBondContact O-N 3.38Å; Y153-A191 HydrophobicContact CE2-CB 4.13Å; Y153-T247 HydrophobicContact CE2-CG2 4.47Å; Y153-T247 WeakPolarHBondContact OH-CB 3.46Å; Y153-T247 VanDerWaalsContact OH-CG2 3.23Å; Y153-T247 WeakPolarHBondContact OH-CG2 3.37Å
154	E	91.7	Very high	95	Very high	43 Å²	43	28.4 Å²	28.4	20%	0.201	17%	0.171	C	C	.	.	H	α-helix	trans	-130.7	46.7	-171.6	-65.2	166.3	104.3	0	0	110.1	V150 Q156 R249 R255 L256	V150-E154 PolarHBondContact O-N 3.04Å; E154-Q156 PolarHBondContact O-NE2 3.34Å; E154-Q156 VanDerWaalsContact O-NE2 3.15Å; E154-R249 IonicContact OE2-CZ 2.7Å; E154-R249 IonicContact OE2-NH1 2.99Å; E154-R249 PolarHBondContact OE2-NH1 3.45Å; E154-R249 IonicContact OE2-NH2 3.22Å; E154-R249 PolarHBondContact OE2-NH2 3.3Å; E154-R255 VanDerWaalsContact OE1-CA 3.25Å; E154-R255 WeakPolarHBondContact OE1-CA 3.03Å; E154-R255 WeakPolarHBondContact OE1-CB 3.41Å; E154-R255 WeakPolarHBondContact OE1-CD 3.29Å; E154-L256 PolarHBondContact OE1-N 3.36Å
155	G	89.8	Confident	95	Very high	38 Å²	38	28.4 Å²	28.4	39%	0.392	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-58.4	139.7	178.5	0	0	0	0	0	112.5	A151 S163	A151-G155 WeakPolarHBondContact O-CA 3.37Å; A151-G155 PolarHBondContact O-N 3.34Å; G155-S163 WeakPolarHBondContact CA-OG 3.49Å
156	Q	89.2	Confident	95	Very high	49 Å²	49	28.7 Å²	28.7	23%	0.229	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-91.5	168.7	-177.8	-59.8	-61.2	-45.8	0	0	112.5	E154 G158 Q159 L256	E154-Q156 PolarHBondContact O-NE2 3.34Å; E154-Q156 VanDerWaalsContact O-NE2 3.15Å; Q156-G158 PolarHBondContact O-N 2.77Å; Q156-Q159 HydrophobicContact CB-CG 4.16Å; Q156-Q159 VanDerWaalsContact O-CB 3.32Å; Q156-Q159 WeakPolarHBondContact O-CB 3.47Å; Q156-Q159 PolarHBondContact O-N 3.02Å; Q156-L256 PolarHBondContact NE2-O 3.01Å
157	V	90	Very high	95	Very high	84 Å²	84	30 Å²	30	51%	0.509	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131.1	173.9	163.6	0	0	0	0	110.7	K93 Q159 F258	K93-V157 HydrophobicContact CD-CG1 4.3Å; K93-V157 HydrophobicContact CG-CG1 4Å; V157-Q159 VanDerWaalsContact C-N 3.31Å; V157-F258 HydrophobicContact CB-CE2 3.99Å; V157-F258 HydrophobicContact CG2-CD2 4.07Å; V157-F258 HydrophobicContact CG2-CE2 3.23Å; V157-F258 HydrophobicContact CG2-CZ 3.95Å
158	G	91.1	Very high	95	Very high	11 Å²	11	30.6 Å²	30.6	11%	0.113	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	1.4	-177.4	0	0	0	0	0	114.9	A91 C92 Q156	A91-G158 CarbonylContact C-O 3.58Å; A91-G158 WeakPolarHBondContact CA-O 3.41Å; C92-G158 CarbonylContact C-O 3.54Å; C92-G158 PolarHBondContact N-O 2.88Å; C92-G158 CarbonylContact O-C 3.57Å; C92-G158 VanDerWaalsContact O-CA 3.24Å; C92-G158 WeakPolarHBondContact O-CA 3.36Å; C92-G158 VanDerWaalsContact O-O 3.06Å; Q156-G158 PolarHBondContact O-N 2.77Å
159	Q	93.6	Very high	95	Very high	55 Å²	55	30.6 Å²	30.6	26%	0.257	19%	0.194	S	C	.	.			trans	-100.6	21.5	179.3	-62	-171.8	-34.4	0	0	113.3	Q156 V157 A161 Y162 S163	Q156-Q159 HydrophobicContact CB-CG 4.16Å; Q156-Q159 VanDerWaalsContact O-CB 3.32Å; Q156-Q159 WeakPolarHBondContact O-CB 3.47Å; Q156-Q159 PolarHBondContact O-N 3.02Å; V157-Q159 VanDerWaalsContact C-N 3.31Å; Q159-A161 PolarHBondContact O-N 3.24Å; Q159-Y162 PolarHBondContact O-N 3.38Å; Q159-S163 WeakPolarHBondContact O-CB 3.3Å; Q159-S163 PolarHBondContact O-N 2.92Å; Q159-S163 PolarHBondContact O-OG 2.98Å
160	A	96.2	Very high	95.2	Very high	44 Å²	44	30.8 Å²	30.8	36%	0.364	20%	0.197	S	C	.	.	H	α-helix	trans	-55.1	-48.9	-175.9	0	0	0	0	0	112.4	A164	A160-A164 VanDerWaalsContact O-CB 3.23Å; A160-A164 WeakPolarHBondContact O-CB 3.24Å; A160-A164 PolarHBondContact O-N 3.17Å
161	A	96.8	Very high	95.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-45.7	177	0	0	0	0	0	112.6	V90 F108 V111 Q159 S165	V90-A161 HydrophobicContact CG2-CB 4.11Å; F108-A161 HydrophobicContact CB-CB 4.37Å; F108-A161 HydrophobicContact CD2-CB 3.52Å; F108-A161 HydrophobicContact CE2-CB 4.09Å; F108-A161 HydrophobicContact CG-CB 4.16Å; V111-A161 HydrophobicContact CB-CB 4.03Å; V111-A161 HydrophobicContact CG1-CB 4.08Å; V111-A161 HydrophobicContact CG2-CB 4.23Å; Q159-A161 PolarHBondContact O-N 3.24Å; A161-S165 WeakPolarHBondContact O-CB 3.46Å; A161-S165 PolarHBondContact O-N 2.76Å
162	Y	95.8	Very high	95.6	Very high	33 Å²	33	34 Å²	34	13%	0.129	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-49.7	-180	-175.2	-105	0	0	0	111.4	L88 A89 A151 Q159 A164 S165 K166	L88-Y162 WeakPolarHBondContact O-CD2 3.47Å; A89-Y162 HydrophobicContact CB-CD2 4.08Å; A89-Y162 HydrophobicContact CB-CE2 4.01Å; A151-Y162 HydrophobicContact CB-CD1 3.74Å; A151-Y162 HydrophobicContact CB-CE1 3.74Å; Q159-Y162 PolarHBondContact O-N 3.38Å; Y162-A164 PolarHBondContact O-N 2.75Å; Y162-S165 WeakPolarHBondContact O-CB 3.41Å; Y162-S165 PolarHBondContact O-N 3.11Å; Y162-S165 VanDerWaalsContact O-N 3.13Å; Y162-S165 PolarHBondContact O-OG 2.85Å; Y162-K166 HydrophobicContact CD1-CG 4.23Å; Y162-K166 HydrophobicContact CD2-CG 4.48Å; Y162-K166 HydrophobicContact CE1-CG 3.88Å; Y162-K166 HydrophobicContact CE2-CD 4.42Å; Y162-K166 HydrophobicContact CE2-CG 4.17Å; Y162-K166 WeakPolarHBondContact O-CG 3.44Å; Y162-K166 PolarHBondContact O-N 2.92Å; Y162-K166 WeakPolarHBondContact OH-CE 3.21Å
163	S	96.6	Very high	95.8	Very high	22 Å²	22	32.9 Å²	32.9	15%	0.154	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-42.9	179.5	-52	0	0	0	0	111.4	A151 G155 Q159 S165 K166 G167	A151-S163 WeakPolarHBondContact O-CB 3.48Å; A151-S163 PolarHBondContact O-OG 3.12Å; G155-S163 WeakPolarHBondContact CA-OG 3.49Å; Q159-S163 WeakPolarHBondContact O-CB 3.3Å; Q159-S163 PolarHBondContact O-N 2.92Å; Q159-S163 PolarHBondContact O-OG 2.98Å; S163-S165 VanDerWaalsContact C-N 3.34Å; S163-S165 PolarHBondContact O-N 3.19Å; S163-K166 PolarHBondContact O-N 3.32Å; S163-G167 PolarHBondContact O-N 3.38Å
164	A	98.2	Very high	96	Very high	44 Å²	44	30.9 Å²	30.9	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-59.8	-44.6	173.2	0	0	0	0	0	111.6	F108 I112 A160 Y162 K166 G167 G168	F108-A164 HydrophobicContact CE2-CB 4.35Å; F108-A164 HydrophobicContact CZ-CB 4.22Å; I112-A164 HydrophobicContact CD1-CB 4.18Å; A160-A164 VanDerWaalsContact O-CB 3.23Å; A160-A164 WeakPolarHBondContact O-CB 3.24Å; A160-A164 PolarHBondContact O-N 3.17Å; Y162-A164 PolarHBondContact O-N 2.75Å; A164-K166 PolarHBondContact O-N 2.63Å; A164-G167 PolarHBondContact O-N 3.5Å; A164-G168 PolarHBondContact O-N 3.08Å
165	S	98.5	Very high	96.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-42	177.8	80	0	0	0	0	112.9	N115 A161 Y162 S163 G168 I169	N115-S165 WeakPolarHBondContact CB-OG 3.34Å; N115-S165 PolarHBondContact ND2-OG 3.21Å; A161-S165 WeakPolarHBondContact O-CB 3.46Å; A161-S165 PolarHBondContact O-N 2.76Å; Y162-S165 WeakPolarHBondContact O-CB 3.41Å; Y162-S165 PolarHBondContact O-N 3.11Å; Y162-S165 VanDerWaalsContact O-N 3.13Å; Y162-S165 PolarHBondContact O-OG 2.85Å; S163-S165 VanDerWaalsContact C-N 3.34Å; S163-S165 PolarHBondContact O-N 3.19Å; S165-G168 PolarHBondContact O-N 3Å; S165-I169 WeakPolarHBondContact O-CG1 3.48Å; S165-I169 PolarHBondContact O-N 3.08Å; S165-I169 VanDerWaalsContact O-N 3.11Å
166	K	98.3	Very high	96.8	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-76.4	-32.3	-179.7	-62.2	-50.1	-164.6	178.3	0	112.3	T147 A152 Y162 S163 A164 G168 I169 A170	T147-K166 PolarHBondContact O-NZ 2.97Å; A152-K166 HydrophobicContact CB-CB 4.05Å; Y162-K166 HydrophobicContact CD1-CG 4.23Å; Y162-K166 HydrophobicContact CD2-CG 4.48Å; Y162-K166 HydrophobicContact CE1-CG 3.88Å; Y162-K166 HydrophobicContact CE2-CD 4.42Å; Y162-K166 HydrophobicContact CE2-CG 4.17Å; Y162-K166 WeakPolarHBondContact O-CG 3.44Å; Y162-K166 PolarHBondContact O-N 2.92Å; Y162-K166 WeakPolarHBondContact OH-CE 3.21Å; S163-K166 PolarHBondContact O-N 3.32Å; A164-K166 PolarHBondContact O-N 2.63Å; K166-G168 VanDerWaalsContact C-N 3.34Å; K166-I169 HydrophobicContact CD-CD1 3.87Å; K166-I169 PolarHBondContact O-N 2.88Å; K166-A170 PolarHBondContact O-N 3.37Å
167	G	98.5	Very high	97.2	Very high	29 Å²	29	28.2 Å²	28.2	30%	0.299	20%	0.196	S	C	.	.	H	α-helix	trans	-62.2	-40.9	168.1	0	0	0	0	0	111.8	S163 A164 A170 G171	S163-G167 PolarHBondContact O-N 3.38Å; A164-G167 PolarHBondContact O-N 3.5Å; G167-A170 PolarHBondContact O-N 3.08Å; G167-G171 PolarHBondContact O-N 2.77Å
168	G	98.7	Very high	97.6	Very high	22 Å²	22	32.4 Å²	32.4	23%	0.227	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-44.5	171.5	0	0	0	0	0	112.9	A164 S165 K166 G171 L172	A164-G168 PolarHBondContact O-N 3.08Å; S165-G168 PolarHBondContact O-N 3Å; K166-G168 VanDerWaalsContact C-N 3.34Å; G168-G171 PolarHBondContact O-N 3.46Å; G168-L172 WeakPolarHBondContact O-CB 3.41Å; G168-L172 VanDerWaalsContact O-CG 3.3Å; G168-L172 WeakPolarHBondContact O-CG 3.36Å; G168-L172 PolarHBondContact O-N 2.92Å
169	I	98.9	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-46.1	175.7	-66.3	171.4	0	0	0	111	N115 L116 T119 N146 T147 A148 S165 K166 G171 L172 T173	N115-I169 WeakPolarHBondContact O-CD1 3.38Å; L116-I169 HydrophobicContact CD1-CG1 4.24Å; T119-I169 HydrophobicContact CG2-CG1 4.42Å; N146-I169 HydrophobicContact CB-CG2 3.64Å; T147-I169 WeakPolarHBondContact O-CD1 3.45Å; A148-I169 HydrophobicContact CB-CG2 4.08Å; S165-I169 WeakPolarHBondContact O-CG1 3.48Å; S165-I169 PolarHBondContact O-N 3.08Å; S165-I169 VanDerWaalsContact O-N 3.11Å; K166-I169 HydrophobicContact CD-CD1 3.87Å; K166-I169 PolarHBondContact O-N 2.88Å; I169-G171 VanDerWaalsContact C-N 3.33Å; I169-G171 PolarHBondContact O-N 3.32Å; I169-L172 WeakPolarHBondContact O-CG 3.49Å; I169-T173 PolarHBondContact O-N 2.86Å; I169-T173 PolarHBondContact O-OG1 3.16Å
170	A	98.7	Very high	98.2	Very high	16 Å²	16	36.4 Å²	36.4	13%	0.132	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-43.2	176.1	0	0	0	0	0	111.4	A152 K166 G167 T173	A152-A170 HydrophobicContact CB-CB 4.42Å; K166-A170 PolarHBondContact O-N 3.37Å; G167-A170 PolarHBondContact O-N 3.08Å; A170-T173 PolarHBondContact O-N 3.06Å
171	G	98.7	Very high	98.3	Very high	50 Å²	50	36.8 Å²	36.8	52%	0.515	23%	0.226	S	C	.	.	H	α-helix	trans	-67.8	-35.6	-179.2	0	0	0	0	0	114.3	G167 G168 I169 T173 P175	G167-G171 PolarHBondContact O-N 2.77Å; G168-G171 PolarHBondContact O-N 3.46Å; I169-G171 VanDerWaalsContact C-N 3.33Å; I169-G171 PolarHBondContact O-N 3.32Å; G171-T173 VanDerWaalsContact C-N 3.34Å; G171-P175 WeakPolarHBondContact O-CD 3.18Å
172	L	98.6	Very high	98.3	Very high	28 Å²	28	47 Å²	47	15%	0.147	26%	0.264	C	S	.	.	H	α-helix	trans	-80.2	-14.6	178.9	70.6	80	0	0	0	113.8	L116 I123 G168 I169 L174 P175 V176	L116-L172 HydrophobicContact CD1-CD2 3.56Å; I123-L172 HydrophobicContact CD1-CD1 3.96Å; G168-L172 WeakPolarHBondContact O-CB 3.41Å; G168-L172 VanDerWaalsContact O-CG 3.3Å; G168-L172 WeakPolarHBondContact O-CG 3.36Å; G168-L172 PolarHBondContact O-N 2.92Å; I169-L172 WeakPolarHBondContact O-CG 3.49Å; L172-L174 PolarHBondContact O-N 3.33Å; L172-P175 WeakPolarHBondContact O-CD 3.27Å; L172-V176 HydrophobicContact CD1-CG2 4Å; L172-V176 WeakPolarHBondContact O-CB 3.47Å; L172-V176 WeakPolarHBondContact O-CG2 3.23Å; L172-V176 PolarHBondContact O-N 3.18Å
173	T	98.9	Very high	98.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-50	-173.1	-64.7	0	0	0	0	112.1	I169 A170 G171 A177 S189	I169-T173 PolarHBondContact O-N 2.86Å; I169-T173 PolarHBondContact O-OG1 3.16Å; A170-T173 PolarHBondContact O-N 3.06Å; G171-T173 VanDerWaalsContact C-N 3.34Å; T173-A177 WeakPolarHBondContact O-CB 3.44Å; T173-A177 PolarHBondContact O-N 2.99Å; T173-S189 WeakPolarHBondContact OG1-CB 3.49Å; T173-S189 PolarHBondContact OG1-OG 2.76Å
174	L	98.8	Very high	98.5	Very high	72 Å²	72	48.3 Å²	48.3	38%	0.377	27%	0.269	S	S	.	.	H	α-helix	trans	-69.2	-45.6	-179	176.7	63.7	0	0	0	112.9	L172 A177 R178	L172-L174 PolarHBondContact O-N 3.33Å; L174-A177 PolarHBondContact O-N 3.41Å; L174-R178 HydrophobicContact CD1-CG 4.27Å; L174-R178 WeakPolarHBondContact O-CG 3.29Å; L174-R178 PolarHBondContact O-N 2.78Å
175	P	98.8	Very high	98.5	Very high	61 Å²	61	46.3 Å²	46.3	40%	0.396	25%	0.252	S	S	.	.	H	α-helix	trans	-54.2	-50.2	171.9	-29	35.5	0	0	0	113.2	G171 L172 A177 R178 D179	G171-P175 WeakPolarHBondContact O-CD 3.18Å; L172-P175 WeakPolarHBondContact O-CD 3.27Å; P175-A177 VanDerWaalsContact C-N 3.33Å; P175-A177 PolarHBondContact O-N 3.44Å; P175-R178 WeakPolarHBondContact O-CB 3.16Å; P175-R178 PolarHBondContact O-N 3.33Å; P175-D179 VanDerWaalsContact O-CG 3.3Å; P175-D179 PolarHBondContact O-N 3.16Å
176	V	98.9	Very high	98.5	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-41.1	178.3	171.7	0	0	0	0	111.6	I123 L172 R178 D179 L180 C187	I123-V176 HydrophobicContact CG2-CG1 3.8Å; I123-V176 HydrophobicContact CG2-CG2 4.42Å; L172-V176 HydrophobicContact CD1-CG2 4Å; L172-V176 WeakPolarHBondContact O-CB 3.47Å; L172-V176 WeakPolarHBondContact O-CG2 3.23Å; L172-V176 PolarHBondContact O-N 3.18Å; V176-R178 PolarHBondContact O-N 3.05Å; V176-D179 PolarHBondContact O-N 3.34Å; V176-L180 HydrophobicContact CG1-CD1 3.78Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 WeakPolarHBondContact O-CG 3.3Å; V176-L180 PolarHBondContact O-N 2.88Å; V176-L180 VanDerWaalsContact O-N 3.08Å; V176-C187 HydrophobicContact CB-CB 4.28Å; V176-C187 HydrophobicContact CG1-CB 3.81Å
177	A	98.8	Very high	98.5	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-34.4	175.7	0	0	0	0	0	112.6	T173 L174 P175 A181 C187 G245	T173-A177 WeakPolarHBondContact O-CB 3.44Å; T173-A177 PolarHBondContact O-N 2.99Å; L174-A177 PolarHBondContact O-N 3.41Å; P175-A177 VanDerWaalsContact C-N 3.33Å; P175-A177 PolarHBondContact O-N 3.44Å; A177-A181 WeakPolarHBondContact O-CB 3.45Å; A177-A181 PolarHBondContact O-N 2.84Å; A177-C187 HydrophobicContact CB-CB 3.94Å; A177-G245 VanDerWaalsContact CB-CA 3.49Å
178	R	98.7	Very high	98.5	Very high	173 Å²	173	45.1 Å²	45.1	65%	0.653	24%	0.239	S	C	*	.	H	α-helix	trans	-76	-43.8	177	-73.7	173.1	172.3	170.2	-1.9	111.9	L174 P175 V176 L180 A181	L174-R178 HydrophobicContact CD1-CG 4.27Å; L174-R178 WeakPolarHBondContact O-CG 3.29Å; L174-R178 PolarHBondContact O-N 2.78Å; P175-R178 WeakPolarHBondContact O-CB 3.16Å; P175-R178 PolarHBondContact O-N 3.33Å; V176-R178 PolarHBondContact O-N 3.05Å; R178-L180 VanDerWaalsContact C-N 3.27Å; R178-L180 PolarHBondContact O-N 2.85Å; R178-A181 WeakPolarHBondContact O-CB 3.24Å; R178-A181 PolarHBondContact O-N 3.47Å
179	D	98.5	Very high	98.5	Very high	124 Å²	124	44 Å²	44	66%	0.663	23%	0.228	S	C	*	.	H	α-helix	trans	-60.4	-39.1	-179.5	-71	-9.7	0	0	0	111.4	P175 V176	P175-D179 VanDerWaalsContact O-CG 3.3Å; P175-D179 PolarHBondContact O-N 3.16Å; V176-D179 PolarHBondContact O-N 3.34Å
180	L	98.6	Very high	98.5	Very high	26 Å²	26	44 Å²	44	14%	0.136	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	1.9	-177	-52.4	173.8	0	0	0	114.2	S127 I144 V176 R178 R182 E183 G184 I185	S127-L180 WeakPolarHBondContact OG-CD1 3.21Å; I144-L180 HydrophobicContact CD1-CD1 3.87Å; V176-L180 HydrophobicContact CG1-CD1 3.78Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 WeakPolarHBondContact O-CG 3.3Å; V176-L180 PolarHBondContact O-N 2.88Å; V176-L180 VanDerWaalsContact O-N 3.08Å; R178-L180 VanDerWaalsContact C-N 3.27Å; R178-L180 PolarHBondContact O-N 2.85Å; L180-R182 VanDerWaalsContact C-N 3.35Å; L180-R182 PolarHBondContact O-N 3.16Å; L180-E183 CarbonylContact O-C 3.54Å; L180-E183 PolarHBondContact O-N 3.33Å; L180-E183 VanDerWaalsContact O-N 3.11Å; L180-G184 PolarHBondContact O-N 2.89Å; L180-I185 HydrophobicContact CB-CB 3.84Å; L180-I185 HydrophobicContact CB-CG2 4.37Å; L180-I185 HydrophobicContact CD1-CB 4.28Å; L180-I185 HydrophobicContact CD1-CD1 4.45Å; L180-I185 HydrophobicContact CD1-CG2 3.98Å; L180-I185 PolarHBondContact O-N 3.26Å; L180-I185 VanDerWaalsContact O-N 3.15Å
181	A	98.1	Very high	98.5	Very high	51 Å²	51	43.3 Å²	43.3	42%	0.421	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-42.6	-176.6	0	0	0	0	0	112.6	A177 R178 E183 G184	A177-A181 WeakPolarHBondContact O-CB 3.45Å; A177-A181 PolarHBondContact O-N 2.84Å; R178-A181 WeakPolarHBondContact O-CB 3.24Å; R178-A181 PolarHBondContact O-N 3.47Å; A181-E183 PolarHBondContact O-N 3.05Å; A181-G184 PolarHBondContact O-N 3.12Å; A181-G184 VanDerWaalsContact O-N 3.16Å
182	R	97	Very high	98.3	Very high	216 Å²	216	41.3 Å²	41.3	82%	0.815	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-28	179.3	-68.6	-174.4	177.9	-165.2	-0.6	112.3	L180 G184	L180-R182 VanDerWaalsContact C-N 3.35Å; L180-R182 PolarHBondContact O-N 3.16Å; R182-G184 VanDerWaalsContact C-N 3.28Å
183	E	98	Very high	97.9	Very high	81 Å²	81	40.4 Å²	40.4	38%	0.379	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	8.7	178.9	-40.1	-45.9	154.7	0	0	113.1	I131 R141 L180 A181 I185	I131-E183 HydrophobicContact CD1-CB 4.13Å; I131-E183 HydrophobicContact CD1-CG 4.08Å; I131-E183 HydrophobicContact CG1-CB 3.81Å; I131-E183 HydrophobicContact CG1-CG 4.31Å; R141-E183 WeakPolarHBondContact CD-O 3.36Å; L180-E183 CarbonylContact O-C 3.54Å; L180-E183 PolarHBondContact O-N 3.33Å; L180-E183 VanDerWaalsContact O-N 3.11Å; A181-E183 PolarHBondContact O-N 3.05Å; E183-I185 PolarHBondContact O-N 3.04Å
184	G	97.7	Very high	97.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	23.1	173.4	0	0	0	0	0	114.5	N139 Q140 R141 G142 L180 A181 R182	N139-G184 WeakPolarHBondContact O-CA 3.47Å; Q140-G184 CarbonylContact C-O 3.55Å; Q140-G184 WeakPolarHBondContact CA-O 3.44Å; R141-G184 PolarHBondContact N-O 3.12Å; G142-G184 PolarHBondContact N-O 3.31Å; L180-G184 PolarHBondContact O-N 2.89Å; A181-G184 PolarHBondContact O-N 3.12Å; A181-G184 VanDerWaalsContact O-N 3.16Å; R182-G184 VanDerWaalsContact C-N 3.28Å
185	I	98.6	Very high	96.6	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.7	179.9	-57.5	164.1	0	0	0	109.8	M130 I131 G142 I144 L180 E183	M130-I185 HydrophobicContact CB-CD1 3.56Å; M130-I185 HydrophobicContact CB-CG1 3.96Å; M130-I185 HydrophobicContact SD-CD1 4.36Å; M130-I185 HydrophobicContact SD-CG1 4.44Å; M130-I185 HydrophobicContact SD-CG2 3.98Å; I131-I185 HydrophobicContact CG1-CD1 3.72Å; G142-I185 WeakPolarHBondContact O-CA 3.21Å; I144-I185 HydrophobicContact CD1-CG2 3.86Å; I144-I185 HydrophobicContact CG1-CG2 3.96Å; L180-I185 HydrophobicContact CB-CB 3.84Å; L180-I185 HydrophobicContact CB-CG2 4.37Å; L180-I185 HydrophobicContact CD1-CB 4.28Å; L180-I185 HydrophobicContact CD1-CD1 4.45Å; L180-I185 HydrophobicContact CD1-CG2 3.98Å; L180-I185 PolarHBondContact O-N 3.26Å; L180-I185 VanDerWaalsContact O-N 3.15Å; E183-I185 PolarHBondContact O-N 3.04Å
186	R	98.5	Very high	95.7	Very high	10 Å²	10	39.3 Å²	39.3	4%	0.038	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	147.8	172.5	-63.2	-175	-63.5	130.2	-7.3	110.7	G142 V143 I144 I237 L238 N240 P241 I243 N244	G142-R186 PolarHBondContact O-N 3.5Å; G142-R186 VanDerWaalsContact O-N 3.12Å; V143-R186 HydrophobicContact CG1-CB 4.41Å; I144-R186 PolarHBondContact N-O 3.18Å; R186-I237 PolarHBondContact NH1-O 2.84Å; R186-I237 PolarHBondContact NH2-O 3.01Å; R186-L238 PolarHBondContact NH2-O 3.29Å; R186-N240 PolarHBondContact NH1-O 3.43Å; R186-P241 WeakPolarHBondContact CD-O 3.35Å; R186-I243 PolarHBondContact NH1-O 3.5Å; R186-N244 VanDerWaalsContact CA-OD1 3.23Å; R186-N244 WeakPolarHBondContact CA-OD1 3.3Å; R186-N244 HydrophobicContact CB-CB 4.36Å; R186-N244 WeakPolarHBondContact CB-OD1 3.37Å; R186-N244 HydrophobicContact CG-CB 4.13Å
187	C	98.8	Very high	94.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.7	171.3	-175.3	0	0	0	0	109.5	I144 N146 V176 A177 N244 G245	I144-C187 HydrophobicContact CB-CB 4.37Å; I144-C187 WeakPolarHBondContact O-CA 3.23Å; N146-C187 PolarHBondContact ND2-SG 2.68Å; V176-C187 HydrophobicContact CB-CB 4.28Å; V176-C187 HydrophobicContact CG1-CB 3.81Å; A177-C187 HydrophobicContact CB-CB 3.94Å; C187-N244 PolarHBondContact N-OD1 3.2Å; C187-N244 PolarHBondContact O-OD1 3.48Å; C187-G245 WeakPolarHBondContact O-CA 3.47Å; C187-G245 PolarHBondContact O-N 3.36Å
188	V	98.9	Very high	93.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.5	-177.4	-176.5	0	0	0	0	108.4	I144 I145 N146 I237 I243 V246 L248	I144-V188 PolarHBondContact O-N 3.27Å; I145-V188 CarbonylContact C-O 3.59Å; I145-V188 VanDerWaalsContact CA-O 3.28Å; I145-V188 WeakPolarHBondContact CA-O 3.48Å; N146-V188 PolarHBondContact N-O 3.46Å; V188-I237 HydrophobicContact CB-CD1 4.46Å; V188-I237 HydrophobicContact CB-CG2 3.96Å; V188-I237 HydrophobicContact CG1-CD1 3.78Å; V188-I237 HydrophobicContact CG1-CG1 4.16Å; V188-I237 HydrophobicContact CG1-CG2 4.15Å; V188-I237 HydrophobicContact CG2-CG2 3.82Å; V188-I243 HydrophobicContact CG1-CG2 3.88Å; V188-I243 HydrophobicContact CG2-CG2 3.92Å; V188-I243 WeakPolarHBondContact CG2-O 3.32Å; V188-V246 HydrophobicContact CG1-CG2 4.33Å; V188-V246 WeakPolarHBondContact CG1-O 3.3Å; V188-L248 HydrophobicContact CG1-CD1 4.44Å; V188-L248 HydrophobicContact CG1-CG 4.36Å
189	S	98.9	Very high	91.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.6	168.3	-79.3	0	0	0	0	110.5	N146 T173 V246 T247 L248	N146-S189 CarbonylContact O-C 3.36Å; N146-S189 WeakPolarHBondContact O-CA 3.46Å; T173-S189 WeakPolarHBondContact OG1-CB 3.49Å; T173-S189 PolarHBondContact OG1-OG 2.76Å; S189-V246 PolarHBondContact N-O 2.89Å; S189-T247 WeakPolarHBondContact CB-OG1 3.24Å; S189-T247 CarbonylContact O-C 3.54Å; S189-T247 VanDerWaalsContact O-CA 3.3Å; S189-T247 WeakPolarHBondContact O-CA 3.42Å; S189-L248 PolarHBondContact O-N 3.39Å
190	I	98.7	Very high	89.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.1	164.2	-56.7	170.4	0	0	0	106.3	I145 N146 A148 P192 F230 C233 V234 I237 L248 L250	I145-I190 HydrophobicContact CG2-CD1 3.83Å; I145-I190 HydrophobicContact CG2-CG1 4.1Å; N146-I190 PolarHBondContact O-N 3.06Å; A148-I190 WeakPolarHBondContact CA-O 3.35Å; A148-I190 WeakPolarHBondContact CB-O 3.19Å; A148-I190 PolarHBondContact N-O 2.71Å; I190-P192 HydrophobicContact CG2-CG 4.18Å; I190-P192 VanDerWaalsContact O-CD 3.25Å; I190-P192 WeakPolarHBondContact O-CD 3.32Å; I190-F230 HydrophobicContact CB-CD2 4.5Å; I190-F230 HydrophobicContact CB-CE2 3.83Å; I190-F230 HydrophobicContact CD1-CD2 4.23Å; I190-F230 HydrophobicContact CD1-CE1 4.48Å; I190-F230 HydrophobicContact CD1-CE2 3.76Å; I190-F230 HydrophobicContact CD1-CZ 3.89Å; I190-F230 HydrophobicContact CG1-CE2 4.4Å; I190-F230 HydrophobicContact CG2-CD2 3.97Å; I190-F230 HydrophobicContact CG2-CE2 3.79Å; I190-C233 HydrophobicContact CD1-CB 4.12Å; I190-V234 HydrophobicContact CD1-CG2 3.85Å; I190-I237 HydrophobicContact CD1-CD1 3.73Å; I190-I237 HydrophobicContact CG1-CD1 3.59Å; I190-L248 CarbonylContact C-O 3.5Å; I190-L248 WeakPolarHBondContact CA-O 3.5Å; I190-L250 HydrophobicContact CG2-CB 3.74Å; I190-L250 HydrophobicContact CG2-CD2 4.1Å
191	A	97.3	Very high	87.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	89.6	171.1	0	0	0	0	0	109.2	A148 Y153 T247 L248 R249 L250	A148-A191 HydrophobicContact CB-CB 4.23Å; Y153-A191 HydrophobicContact CE2-CB 4.13Å; A191-T247 HydrophobicContact CB-CG2 3.62Å; A191-L248 PolarHBondContact N-O 2.81Å; A191-R249 HydrophobicContact CB-CG 4.48Å; A191-L250 PolarHBondContact O-N 2.85Å
192	P	94.8	Very high	85	Confident	9 Å²	9	41.5 Å²	41.5	6%	0.058	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	144.2	177	-20.3	33.5	0	0	0	112.2	L19 T147 V150 I190 L195 F230 L250	L19-P192 HydrophobicContact CD1-CG 4.15Å; T147-P192 HydrophobicContact CG2-CG 4.19Å; V150-P192 PolarHBondContact N-O 3.11Å; I190-P192 HydrophobicContact CG2-CG 4.18Å; I190-P192 VanDerWaalsContact O-CD 3.25Å; I190-P192 WeakPolarHBondContact O-CD 3.32Å; P192-L195 HydrophobicContact CB-CD1 3.6Å; P192-L195 HydrophobicContact CB-CG 3.89Å; P192-L195 HydrophobicContact CG-CD1 4.19Å; P192-F230 HydrophobicContact CG-CD2 3.83Å; P192-F230 HydrophobicContact CG-CE2 3.85Å; P192-L250 WeakPolarHBondContact CA-O 3.11Å
193	G	90.2	Very high	82.8	Confident	9 Å²	9	41 Å²	41	9%	0.093	22%	0.215	C	C	.	.			trans	-78.6	-143.2	161.9	0	0	0	0	0	111.9	L195 L250	G193-L195 PolarHBondContact O-N 2.91Å; G193-L250 PolarHBondContact N-O 2.71Å
194	L	85.7	Confident	80.5	Confident	18 Å²	18	49 Å²	49	9%	0.094	24%	0.242	C	C	.	.	S	Bend	trans	-72.2	98.6	174.1	-58.8	174.4	0	0	0	110.1	L214 M224 G225 L256	L194-L214 HydrophobicContact CD1-CB 3.67Å; L194-L214 HydrophobicContact CD1-CD1 4.43Å; L194-L214 HydrophobicContact CD1-CD2 3.65Å; L194-L214 HydrophobicContact CD1-CG 4.09Å; L194-L214 HydrophobicContact CD2-CD2 4.41Å; L194-M224 HydrophobicContact CB-CG 4.17Å; L194-M224 CarbonylContact O-C 3.57Å; L194-M224 WeakPolarHBondContact O-CA 3.22Å; L194-G225 PolarHBondContact O-N 3.19Å; L194-L256 HydrophobicContact CD1-CD2 4.08Å; L194-L256 HydrophobicContact CD2-CD1 4.44Å; L194-L256 HydrophobicContact CG-CD2 4.24Å
195	L	85.1	Confident	78.9	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-103.3	136.2	169.9	-60.3	-172.2	0	0	0	110.1	L19 P192 G193 T197 I200 G225 F230	L19-L195 HydrophobicContact CD1-CD1 4.01Å; L19-L195 HydrophobicContact CD2-CB 4.14Å; L19-L195 HydrophobicContact CD2-CD1 3.45Å; L19-L195 VanDerWaalsContact CD2-CD1 3.45Å; L19-L195 HydrophobicContact CD2-CG 4.45Å; L19-L195 HydrophobicContact CG-CD1 4.38Å; P192-L195 HydrophobicContact CB-CD1 3.6Å; P192-L195 HydrophobicContact CB-CG 3.89Å; P192-L195 HydrophobicContact CG-CD1 4.19Å; G193-L195 PolarHBondContact O-N 2.91Å; L195-T197 HydrophobicContact CB-CG2 4.39Å; L195-T197 PolarHBondContact O-N 3.39Å; L195-I200 WeakPolarHBondContact O-CD1 3.39Å; L195-G225 CarbonylContact C-O 3.53Å; L195-G225 WeakPolarHBondContact CA-O 3.35Å; L195-F230 HydrophobicContact CD1-CB 3.92Å; L195-F230 HydrophobicContact CD1-CD2 4.31Å
196	N	79.3	Confident	77.4	Confident	87 Å²	87	54 Å²	54	47%	0.465	27%	0.27	S	S	.	.			trans	-67.2	94.4	177.3	-173.9	-4.2	0	0	0	109.9	M201 M224 G225 P227	N196-M201 PolarHBondContact OD1-SD 3.47Å; N196-M224 HydrophobicContact CB-CB 4.23Å; N196-G225 PolarHBondContact N-O 2.86Å; N196-P227 WeakPolarHBondContact O-CD 3.35Å; N196-P227 WeakPolarHBondContact O-CG 3.5Å
197	T	76.9	Confident	76.4	Confident	11 Å²	11	58 Å²	58	7%	0.067	29%	0.293	C	S	.	.			trans	-137.3	151.4	175.6	64.3	0	0	0	0	109.4	L19 L195 T199 I200 M201 P227	L19-T197 HydrophobicContact CD2-CG2 3.61Å; L19-T197 HydrophobicContact CG-CG2 3.98Å; L195-T197 HydrophobicContact CB-CG2 4.39Å; L195-T197 PolarHBondContact O-N 3.39Å; T197-T199 PolarHBondContact O-N 3.46Å; T197-T199 VanDerWaalsContact O-N 3.14Å; T197-I200 PolarHBondContact O-N 3.01Å; T197-I200 VanDerWaalsContact O-N 3.13Å; T197-M201 PolarHBondContact O-N 3.47Å; T197-M201 VanDerWaalsContact O-N 3.16Å; T197-P227 HydrophobicContact CG2-CG 4.25Å
198	K	67.8	Low	75.4	Confident	191 Å²	191	63.9 Å²	63.9	83%	0.83	32%	0.32	S	S	*	.	H	α-helix	trans	-54.3	-33.8	174.8	-68.6	-172.9	176.9	-174.3	0	112.3	I200 G202	K198-I200 PolarHBondContact O-N 3.13Å; K198-G202 WeakPolarHBondContact O-CA 3.49Å; K198-G202 PolarHBondContact O-N 2.76Å
199	T	59.2	Low	74.4	Confident	73 Å²	73	71.3 Å²	71.3	45%	0.448	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-33.7	-179.2	-47.5	0	0	0	0	113.5	A89 T197	A89-T199 HydrophobicContact CB-CG2 3.77Å; T197-T199 PolarHBondContact O-N 3.46Å; T197-T199 VanDerWaalsContact O-N 3.14Å
200	I	57.3	Low	73.5	Confident	54 Å²	54	74.2 Å²	74.2	28%	0.277	37%	0.368	S	S	.	.	H	α-helix	trans	-87.4	-42.5	179.3	-71.2	170.9	0	0	0	111.1	L195 T197 K198 G202 Y206	L195-I200 WeakPolarHBondContact O-CD1 3.39Å; T197-I200 PolarHBondContact O-N 3.01Å; T197-I200 VanDerWaalsContact O-N 3.13Å; K198-I200 PolarHBondContact O-N 3.13Å; I200-G202 VanDerWaalsContact C-N 3.3Å; I200-G202 PolarHBondContact O-N 3.48Å; I200-Y206 HydrophobicContact CG2-CE2 4.26Å
201	M	52.3	Low	72.6	Confident	58 Å²	58	75.9 Å²	75.9	29%	0.286	38%	0.377	S	S	.	.	H	α-helix	trans	-73	-23.8	-177.9	-66.3	-170.2	72.5	0	0	113.2	N196 T197 G205	N196-M201 PolarHBondContact OD1-SD 3.47Å; T197-M201 PolarHBondContact O-N 3.47Å; T197-M201 VanDerWaalsContact O-N 3.16Å; M201-G205 VanDerWaalsContact O-CA 3.3Å; M201-G205 WeakPolarHBondContact O-CA 3.34Å; M201-G205 PolarHBondContact O-N 2.93Å
202	G	54.5	Low	71.9	Confident	46 Å²	46	79.9 Å²	79.9	47%	0.474	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	-171.3	-165.1	0	0	0	0	0	111.6	K198 I200 R204	K198-G202 WeakPolarHBondContact O-CA 3.49Å; K198-G202 PolarHBondContact O-N 2.76Å; I200-G202 VanDerWaalsContact C-N 3.3Å; I200-G202 PolarHBondContact O-N 3.48Å; G202-R204 VanDerWaalsContact C-N 3.28Å
203	E	50	Low	71.3	Confident	206 Å²	206	82.7 Å²	82.7	96%	0.963	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.8	173.7	-66.6	-177.7	164.2	0	0	112.5
204	R	50.8	Low	70.8	Confident	248 Å²	248	83.1 Å²	83.1	94%	0.936	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-21.8	-173.4	-66.5	-174.8	178.7	-168.3	-2.4	113.7	G202	G202-R204 VanDerWaalsContact C-N 3.28Å
205	G	63.8	Low	70.7	Confident	30 Å²	30	84.1 Å²	84.1	31%	0.309	41%	0.414	S	S	.	.			trans	61.1	-176.3	-169.9	0	0	0	0	0	112.6	M201	M201-G205 VanDerWaalsContact O-CA 3.3Å; M201-G205 WeakPolarHBondContact O-CA 3.34Å; M201-G205 PolarHBondContact O-N 2.93Å
206	Y	66.5	Low	70.6	Confident	79 Å²	79	89 Å²	89	31%	0.31	44%	0.44	S	S	.	.			trans	-99.5	143.9	169.1	-66.8	-81.9	0	0	0	108.5	I200 N210 L211 L214 M224	I200-Y206 HydrophobicContact CG2-CE2 4.26Å; Y206-N210 HydrophobicContact CD1-CB 4.05Å; Y206-N210 HydrophobicContact CG-CB 4.5Å; Y206-L211 HydrophobicContact CD2-CD2 4.01Å; Y206-L211 HydrophobicContact CG-CD2 4.17Å; Y206-L214 HydrophobicContact CD1-CD1 3.74Å; Y206-L214 HydrophobicContact CD2-CD1 4.07Å; Y206-L214 HydrophobicContact CE1-CD1 3.69Å; Y206-L214 HydrophobicContact CE2-CD1 4.02Å; Y206-L214 HydrophobicContact CG-CD1 3.93Å; Y206-M224 HydrophobicContact CD2-CE 3.87Å; Y206-M224 HydrophobicContact CE2-CE 3.95Å
207	N	76.6	Confident	70.6	Confident	95 Å²	95	85.9 Å²	85.9	51%	0.508	42%	0.424	S	S	.	.			trans	-65.6	161.9	166.8	67.7	16.5	0	0	0	109.8	F209 N210 L211	N207-F209 VanDerWaalsContact C-N 3.26Å; N207-F209 PolarHBondContact O-N 3.33Å; N207-N210 PolarHBondContact O-N 2.94Å; N207-N210 VanDerWaalsContact O-N 3.15Å; N207-N210 WeakPolarHBondContact OD1-CB 3.44Å; N207-N210 PolarHBondContact OD1-N 3.47Å; N207-N210 PolarHBondContact OD1-ND2 3.43Å; N207-L211 PolarHBondContact O-N 2.83Å
208	Q	78.6	Confident	70.7	Confident	123 Å²	123	85.9 Å²	85.9	58%	0.575	42%	0.423	S	S	*	.	H	α-helix	trans	-56.7	-41.2	-175.6	-169.7	61.5	46.6	0	0	112.3	N210 L211 D212	Q208-N210 PolarHBondContact O-N 3.29Å; Q208-L211 WeakPolarHBondContact O-CB 3.38Å; Q208-L211 PolarHBondContact O-N 2.98Å; Q208-L211 VanDerWaalsContact O-N 3.14Å; Q208-D212 PolarHBondContact NE2-OD1 3.45Å; Q208-D212 PolarHBondContact O-N 2.89Å
209	F	78.9	Confident	71.4	Confident	155 Å²	155	82.8 Å²	82.8	68%	0.68	42%	0.415	S	S	*	.	H	α-helix	trans	-57.7	-47.2	177.6	-179.5	-95	0	0	0	112.8	N207 L211 D212 Y213	N207-F209 VanDerWaalsContact C-N 3.26Å; N207-F209 PolarHBondContact O-N 3.33Å; F209-L211 VanDerWaalsContact C-N 3.35Å; F209-D212 PolarHBondContact O-N 3.34Å; F209-Y213 PolarHBondContact O-N 2.93Å
210	N	79.9	Confident	72.4	Confident	61 Å²	61	83.3 Å²	83.3	33%	0.326	43%	0.427	S	S	.	.	H	α-helix	trans	-67.6	-36.8	177.2	-70.2	-13.6	0	0	0	111.1	Y206 N207 Q208 L214	Y206-N210 HydrophobicContact CD1-CB 4.05Å; Y206-N210 HydrophobicContact CG-CB 4.5Å; N207-N210 PolarHBondContact O-N 2.94Å; N207-N210 VanDerWaalsContact O-N 3.15Å; N207-N210 WeakPolarHBondContact OD1-CB 3.44Å; N207-N210 PolarHBondContact OD1-N 3.47Å; N207-N210 PolarHBondContact OD1-ND2 3.43Å; Q208-N210 PolarHBondContact O-N 3.29Å; N210-L214 WeakPolarHBondContact O-CB 3.47Å; N210-L214 WeakPolarHBondContact O-CD1 3.22Å; N210-L214 WeakPolarHBondContact O-CG 3.48Å; N210-L214 PolarHBondContact O-N 3.45Å
211	L	79.4	Confident	73.8	Confident	35 Å²	35	84.7 Å²	84.7	18%	0.183	43%	0.434	C	S	.	.	H	α-helix	trans	-63.2	-46.2	174.9	-72.2	174.5	0	0	0	111.8	Y206 N207 Q208 F209 Y213 L214 N215 M224	Y206-L211 HydrophobicContact CD2-CD2 4.01Å; Y206-L211 HydrophobicContact CG-CD2 4.17Å; N207-L211 PolarHBondContact O-N 2.83Å; Q208-L211 WeakPolarHBondContact O-CB 3.38Å; Q208-L211 PolarHBondContact O-N 2.98Å; Q208-L211 VanDerWaalsContact O-N 3.14Å; F209-L211 VanDerWaalsContact C-N 3.35Å; L211-Y213 VanDerWaalsContact C-N 3.35Å; L211-Y213 PolarHBondContact O-N 3.42Å; L211-L214 PolarHBondContact O-N 3.39Å; L211-N215 WeakPolarHBondContact O-CB 3.19Å; L211-N215 PolarHBondContact O-N 3.49Å; L211-N215 PolarHBondContact O-ND2 3.25Å; L211-M224 HydrophobicContact CD2-CE 3.56Å
212	D	82.9	Confident	75.5	Confident	85 Å²	85	88 Å²	88	46%	0.455	45%	0.449	S	S	.	.	H	α-helix	trans	-61.1	-46.1	179.5	-66	-19.7	0	0	0	110.3	Q208 F209 N215 D216	Q208-D212 PolarHBondContact NE2-OD1 3.45Å; Q208-D212 PolarHBondContact O-N 2.89Å; F209-D212 PolarHBondContact O-N 3.34Å; D212-N215 PolarHBondContact O-N 2.92Å; D212-D216 WeakPolarHBondContact O-CB 3.23Å; D212-D216 PolarHBondContact O-N 3.25Å
213	Y	80.6	Confident	77	Confident	67 Å²	67	90 Å²	90	26%	0.263	44%	0.442	S	S	.	.	H	α-helix	trans	-59.9	-48.2	173.8	177.4	-92	0	0	0	112.4	F209 L211 N215 D216 V217 V259	F209-Y213 PolarHBondContact O-N 2.93Å; L211-Y213 VanDerWaalsContact C-N 3.35Å; L211-Y213 PolarHBondContact O-N 3.42Å; Y213-N215 VanDerWaalsContact C-N 3.25Å; Y213-N215 PolarHBondContact O-N 3.06Å; Y213-D216 PolarHBondContact O-N 3.49Å; Y213-D216 VanDerWaalsContact O-N 3.16Å; Y213-V217 HydrophobicContact CD1-CG1 4.34Å; Y213-V217 HydrophobicContact CE1-CG1 3.77Å; Y213-V217 HydrophobicContact CE2-CG1 4.1Å; Y213-V217 PolarHBondContact O-N 2.75Å; Y213-V259 HydrophobicContact CD1-CG1 4.47Å; Y213-V259 HydrophobicContact CD1-CG2 3.99Å; Y213-V259 HydrophobicContact CE1-CB 4.37Å; Y213-V259 HydrophobicContact CE1-CG1 4.19Å; Y213-V259 HydrophobicContact CE1-CG2 3.25Å
214	L	81	Confident	78.7	Confident	19 Å²	19	81.2 Å²	81.2	10%	0.099	40%	0.401	C	S	.	.	H	α-helix	trans	-63.8	-31.4	-179.5	-75.5	172.5	0	0	0	112.7	L194 Y206 N210 L211 V217 M224 L256	L194-L214 HydrophobicContact CD1-CB 3.67Å; L194-L214 HydrophobicContact CD1-CD1 4.43Å; L194-L214 HydrophobicContact CD1-CD2 3.65Å; L194-L214 HydrophobicContact CD1-CG 4.09Å; L194-L214 HydrophobicContact CD2-CD2 4.41Å; Y206-L214 HydrophobicContact CD1-CD1 3.74Å; Y206-L214 HydrophobicContact CD2-CD1 4.07Å; Y206-L214 HydrophobicContact CE1-CD1 3.69Å; Y206-L214 HydrophobicContact CE2-CD1 4.02Å; Y206-L214 HydrophobicContact CG-CD1 3.93Å; N210-L214 WeakPolarHBondContact O-CB 3.47Å; N210-L214 WeakPolarHBondContact O-CD1 3.22Å; N210-L214 WeakPolarHBondContact O-CG 3.48Å; N210-L214 PolarHBondContact O-N 3.45Å; L211-L214 PolarHBondContact O-N 3.39Å; L214-V217 VanDerWaalsContact O-CG2 3.24Å; L214-V217 WeakPolarHBondContact O-CG2 3.39Å; L214-M224 HydrophobicContact CD1-CE 4.25Å; L214-L256 HydrophobicContact CD2-CD2 4.41Å
215	N	83.8	Confident	80.6	Confident	38 Å²	38	69.7 Å²	69.7	20%	0.203	36%	0.36	C	S	.	.	H	α-helix	trans	-76.1	-38.2	173.9	-68.7	-25.3	0	0	0	111.3	L211 D212 Y213 Q218 Q222 R223 M224	L211-N215 WeakPolarHBondContact O-CB 3.19Å; L211-N215 PolarHBondContact O-N 3.49Å; L211-N215 PolarHBondContact O-ND2 3.25Å; D212-N215 PolarHBondContact O-N 2.92Å; Y213-N215 VanDerWaalsContact C-N 3.25Å; Y213-N215 PolarHBondContact O-N 3.06Å; N215-Q218 WeakPolarHBondContact O-CB 3.36Å; N215-Q218 PolarHBondContact O-N 2.92Å; N215-Q222 VanDerWaalsContact O-CA 3.28Å; N215-Q222 WeakPolarHBondContact O-CA 3.28Å; N215-Q222 WeakPolarHBondContact O-CB 3.47Å; N215-R223 WeakPolarHBondContact OD1-CA 3.17Å; N215-M224 PolarHBondContact OD1-N 2.92Å
216	D	82.3	Confident	82	Confident	109 Å²	109	73.7 Å²	73.7	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-64.9	-38.4	179.2	-173.4	59	0	0	0	112.6	D212 Y213 Q218	D212-D216 WeakPolarHBondContact O-CB 3.23Å; D212-D216 PolarHBondContact O-N 3.25Å; Y213-D216 PolarHBondContact O-N 3.49Å; Y213-D216 VanDerWaalsContact O-N 3.16Å; D216-Q218 PolarHBondContact O-N 3.2Å; D216-Q218 VanDerWaalsContact O-N 3.16Å
217	V	80	Confident	83.4	Confident	21 Å²	21	71.5 Å²	71.5	13%	0.127	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.7	176.9	-60.9	0	0	0	0	114	Y213 L214 G254 L256	Y213-V217 HydrophobicContact CD1-CG1 4.34Å; Y213-V217 HydrophobicContact CE1-CG1 3.77Å; Y213-V217 HydrophobicContact CE2-CG1 4.1Å; Y213-V217 PolarHBondContact O-N 2.75Å; L214-V217 VanDerWaalsContact O-CG2 3.24Å; L214-V217 WeakPolarHBondContact O-CG2 3.39Å; V217-G254 WeakPolarHBondContact O-CA 3.46Å; V217-L256 HydrophobicContact CG2-CD2 4.01Å
218	Q	78.7	Confident	84.3	Confident	10 Å²	10	71.8 Å²	71.8	5%	0.047	37%	0.365	C	S	.	.			trans	-86.5	122.9	172.8	-64.1	174.9	-53.7	0	0	110.1	N215 D216 I221 Q222 R223	N215-Q218 WeakPolarHBondContact O-CB 3.36Å; N215-Q218 PolarHBondContact O-N 2.92Å; D216-Q218 PolarHBondContact O-N 3.2Å; D216-Q218 VanDerWaalsContact O-N 3.16Å; Q218-I221 WeakPolarHBondContact CB-O 3.28Å; Q218-I221 PolarHBondContact OE1-O 2.67Å; Q218-Q222 WeakPolarHBondContact O-CG 3.37Å; Q218-R223 VanDerWaalsContact CD-O 3.22Å; Q218-R223 PolarHBondContact NE2-O 2.75Å; Q218-R223 PolarHBondContact OE1-O 2.76Å
219	L	81.4	Confident	85.2	Confident	126 Å²	126	68.9 Å²	68.9	66%	0.66	35%	0.352	S	S	*	.	S	Bend	trans	-66.2	-72.6	-168.7	-64.6	-179.4	0	0	0	113.7	G253	L219-G253 WeakPolarHBondContact CD1-O 3.44Å; L219-G253 WeakPolarHBondContact CG-O 3.47Å
220	A	81.7	Confident	86.1	Confident	84 Å²	84	61.5 Å²	61.5	69%	0.694	32%	0.319	S	S	*	.	S	Bend	trans	-84.1	-27.6	-169.3	0	0	0	0	0	112.9	G252	A220-G252 PolarHBondContact N-O 3.15Å
221	I	87	Confident	87	Confident	84 Å²	84	58.7 Å²	58.7	43%	0.431	31%	0.305	S	S	.	.	S	Bend	trans	-131.9	99.5	-175.4	-56.1	-66.2	0	0	0	107.6	Q218 R223	Q218-I221 WeakPolarHBondContact CB-O 3.28Å; Q218-I221 PolarHBondContact OE1-O 2.67Å; I221-R223 HydrophobicContact CG2-CG 3.58Å; I221-R223 PolarHBondContact O-N 3Å
222	Q	86.1	Confident	87.9	Confident	127 Å²	127	59.7 Å²	59.7	59%	0.593	31%	0.314	S	S	*	.			trans	-79.6	56.8	-176.3	-66	179.7	-27.6	0	0	112.3	N215 Q218	N215-Q222 VanDerWaalsContact O-CA 3.28Å; N215-Q222 WeakPolarHBondContact O-CA 3.28Å; N215-Q222 WeakPolarHBondContact O-CB 3.47Å; Q218-Q222 WeakPolarHBondContact O-CG 3.37Å
223	R	88.1	Confident	88.6	Confident	89 Å²	89	56.3 Å²	56.3	34%	0.336	30%	0.297	S	S	.	.	S	Bend	trans	-158.8	152.4	172.8	56.8	156.6	-179.9	85.7	2	111.3	N215 Q218 I221 G225 E229	N215-R223 WeakPolarHBondContact OD1-CA 3.17Å; Q218-R223 VanDerWaalsContact CD-O 3.22Å; Q218-R223 PolarHBondContact NE2-O 2.75Å; Q218-R223 PolarHBondContact OE1-O 2.76Å; I221-R223 HydrophobicContact CG2-CG 3.58Å; I221-R223 PolarHBondContact O-N 3Å; R223-G225 PolarHBondContact O-N 2.91Å; R223-E229 IonicContact CZ-OE1 3.19Å; R223-E229 VanDerWaalsContact CZ-OE1 3.28Å; R223-E229 IonicContact NH1-OE1 3.92Å; R223-E229 PolarHBondContact NH1-OE1 3.15Å; R223-E229 IonicContact NH1-OE2 3.4Å; R223-E229 PolarHBondContact NH1-OE2 2.92Å; R223-E229 IonicContact NH2-OE1 2.71Å; R223-E229 PolarHBondContact NH2-OE1 3.29Å
224	M	85.5	Confident	89.5	Confident	20 Å²	20	53.1 Å²	53.1	10%	0.099	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-49.6	137.4	166.6	-65.3	-170.1	-179.5	0	0	111	L194 N196 Y206 L211 L214 N215	L194-M224 HydrophobicContact CB-CG 4.17Å; L194-M224 CarbonylContact O-C 3.57Å; L194-M224 WeakPolarHBondContact O-CA 3.22Å; N196-M224 HydrophobicContact CB-CB 4.23Å; Y206-M224 HydrophobicContact CD2-CE 3.87Å; Y206-M224 HydrophobicContact CE2-CE 3.95Å; L211-M224 HydrophobicContact CD2-CE 3.56Å; L214-M224 HydrophobicContact CD1-CE 4.25Å; N215-M224 PolarHBondContact OD1-N 2.92Å
225	G	89.8	Confident	90.3	Very high	7 Å²	7	52.5 Å²	52.5	7%	0.072	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-71	160.7	174.3	0	0	0	0	0	111.1	L194 L195 N196 R223 E229	L194-G225 PolarHBondContact O-N 3.19Å; L195-G225 CarbonylContact C-O 3.53Å; L195-G225 WeakPolarHBondContact CA-O 3.35Å; N196-G225 PolarHBondContact N-O 2.86Å; R223-G225 PolarHBondContact O-N 2.91Å; G225-E229 WeakPolarHBondContact CA-OE2 3.48Å
226	K	93.2	Very high	90.9	Very high	114 Å²	114	55.3 Å²	55.3	50%	0.496	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-98.6	148.4	-178.7	-61.5	174	-177.4	177.4	0	109.8	D228 E229 F230	K226-D228 PolarHBondContact O-N 3.08Å; K226-D228 VanDerWaalsContact O-N 3.12Å; K226-E229 HydrophobicContact CB-CG 4.2Å; K226-E229 PolarHBondContact N-OE2 3.39Å; K226-E229 WeakPolarHBondContact O-CB 3.43Å; K226-E229 PolarHBondContact O-N 3.23Å; K226-F230 PolarHBondContact O-N 3.37Å
227	P	95.2	Very high	91.7	Very high	32 Å²	32	50.1 Å²	50.1	21%	0.208	27%	0.269	C	S	.	.	H	α-helix	trans	-52.4	-32.2	171.2	-29.9	37.9	0	0	0	114	L19 A22 N196 T197 E229 F230 S231	L19-P227 HydrophobicContact CD2-CB 4.16Å; L19-P227 HydrophobicContact CD2-CG 4.43Å; A22-P227 HydrophobicContact CB-CB 3.5Å; A22-P227 WeakPolarHBondContact CB-O 3.4Å; N196-P227 WeakPolarHBondContact O-CD 3.35Å; N196-P227 WeakPolarHBondContact O-CG 3.5Å; T197-P227 HydrophobicContact CG2-CG 4.25Å; P227-E229 VanDerWaalsContact C-N 3.28Å; P227-E229 PolarHBondContact O-N 3.16Å; P227-F230 WeakPolarHBondContact O-CB 3.12Å; P227-F230 PolarHBondContact O-N 3.45Å; P227-S231 PolarHBondContact O-N 3.13Å; P227-S231 VanDerWaalsContact O-N 3.1Å
228	D	96.6	Very high	92.5	Very high	101 Å²	101	49.1 Å²	49.1	54%	0.54	26%	0.263	S	S	.	.	H	α-helix	trans	-69.4	-24	177.7	-61.9	-23.2	0	0	0	113.4	K226 F230 S231 S232	K226-D228 PolarHBondContact O-N 3.08Å; K226-D228 VanDerWaalsContact O-N 3.12Å; D228-F230 VanDerWaalsContact C-N 3.35Å; D228-S231 WeakPolarHBondContact CA-OG 3.47Å; D228-S231 PolarHBondContact O-OG 3.46Å; D228-S231 VanDerWaalsContact O-OG 3.06Å; D228-S232 WeakPolarHBondContact O-CB 3.49Å; D228-S232 PolarHBondContact O-N 3.16Å; D228-S232 PolarHBondContact O-OG 3.14Å
229	E	96.9	Very high	93.3	Very high	62 Å²	62	53.1 Å²	53.1	29%	0.29	28%	0.281	S	S	.	.	H	α-helix	trans	-74	-32.7	174.1	-65.1	167.1	162.3	0	0	110.3	R223 G225 K226 P227 C233	R223-E229 IonicContact CZ-OE1 3.19Å; R223-E229 VanDerWaalsContact CZ-OE1 3.28Å; R223-E229 IonicContact NH1-OE1 3.92Å; R223-E229 PolarHBondContact NH1-OE1 3.15Å; R223-E229 IonicContact NH1-OE2 3.4Å; R223-E229 PolarHBondContact NH1-OE2 2.92Å; R223-E229 IonicContact NH2-OE1 2.71Å; R223-E229 PolarHBondContact NH2-OE1 3.29Å; G225-E229 WeakPolarHBondContact CA-OE2 3.48Å; K226-E229 HydrophobicContact CB-CG 4.2Å; K226-E229 PolarHBondContact N-OE2 3.39Å; K226-E229 WeakPolarHBondContact O-CB 3.43Å; K226-E229 PolarHBondContact O-N 3.23Å; P227-E229 VanDerWaalsContact C-N 3.28Å; P227-E229 PolarHBondContact O-N 3.16Å; E229-C233 PolarHBondContact O-N 3.01Å
230	F	98.1	Very high	94	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-50	169.5	179.8	-86.7	0	0	0	111.5	L19 T147 I190 P192 L195 K226 P227 D228 S232 C233 V234 L250	L19-F230 HydrophobicContact CB-CD1 3.83Å; L19-F230 HydrophobicContact CB-CE1 4.1Å; L19-F230 HydrophobicContact CB-CG 4.09Å; L19-F230 HydrophobicContact CD1-CD2 3.87Å; L19-F230 HydrophobicContact CD1-CE2 4.07Å; L19-F230 HydrophobicContact CD1-CG 4.13Å; L19-F230 HydrophobicContact CD2-CB 3.97Å; L19-F230 HydrophobicContact CD2-CG 4.2Å; L19-F230 HydrophobicContact CG-CG 4.35Å; T147-F230 HydrophobicContact CG2-CE2 4.1Å; T147-F230 HydrophobicContact CG2-CZ 4.3Å; T147-F230 WeakPolarHBondContact OG1-CZ 3.21Å; I190-F230 HydrophobicContact CB-CD2 4.5Å; I190-F230 HydrophobicContact CB-CE2 3.83Å; I190-F230 HydrophobicContact CD1-CD2 4.23Å; I190-F230 HydrophobicContact CD1-CE1 4.48Å; I190-F230 HydrophobicContact CD1-CE2 3.76Å; I190-F230 HydrophobicContact CD1-CZ 3.89Å; I190-F230 HydrophobicContact CG1-CE2 4.4Å; I190-F230 HydrophobicContact CG2-CD2 3.97Å; I190-F230 HydrophobicContact CG2-CE2 3.79Å; P192-F230 HydrophobicContact CG-CD2 3.83Å; P192-F230 HydrophobicContact CG-CE2 3.85Å; L195-F230 HydrophobicContact CD1-CB 3.92Å; L195-F230 HydrophobicContact CD1-CD2 4.31Å; K226-F230 PolarHBondContact O-N 3.37Å; P227-F230 WeakPolarHBondContact O-CB 3.12Å; P227-F230 PolarHBondContact O-N 3.45Å; D228-F230 VanDerWaalsContact C-N 3.35Å; F230-S232 VanDerWaalsContact C-N 3.25Å; F230-S232 PolarHBondContact O-N 3.44Å; F230-C233 WeakPolarHBondContact O-CA 3.29Å; F230-C233 WeakPolarHBondContact O-CB 3.42Å; F230-C233 PolarHBondContact O-N 3.14Å; F230-V234 HydrophobicContact CD1-CG2 4.05Å; F230-V234 HydrophobicContact CE1-CG2 3.69Å; F230-V234 HydrophobicContact CZ-CG2 4.32Å; F230-V234 WeakPolarHBondContact O-CG2 3.49Å; F230-V234 PolarHBondContact O-N 3.42Å; F230-L250 HydrophobicContact CB-CD2 4.13Å; F230-L250 HydrophobicContact CD2-CD2 4.23Å
231	S	98.2	Very high	94.6	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-30.7	179	66.9	0	0	0	0	112.4	P227 D228 V234 M235	P227-S231 PolarHBondContact O-N 3.13Å; P227-S231 VanDerWaalsContact O-N 3.1Å; D228-S231 WeakPolarHBondContact CA-OG 3.47Å; D228-S231 PolarHBondContact O-OG 3.46Å; D228-S231 VanDerWaalsContact O-OG 3.06Å; S231-V234 WeakPolarHBondContact O-CB 3.06Å; S231-V234 PolarHBondContact O-N 3.15Å; S231-M235 WeakPolarHBondContact O-CG 3.47Å; S231-M235 PolarHBondContact O-N 3.25Å
232	S	98	Very high	95	Very high	55 Å²	55	52.6 Å²	52.6	39%	0.385	27%	0.268	S	S	.	.	H	α-helix	trans	-65	-40.1	170.5	-59.9	0	0	0	0	112.2	D228 F230 V234 M235 N236	D228-S232 WeakPolarHBondContact O-CB 3.49Å; D228-S232 PolarHBondContact O-N 3.16Å; D228-S232 PolarHBondContact O-OG 3.14Å; F230-S232 VanDerWaalsContact C-N 3.25Å; F230-S232 PolarHBondContact O-N 3.44Å; S232-V234 VanDerWaalsContact C-N 3.34Å; S232-V234 PolarHBondContact O-N 2.85Å; S232-M235 WeakPolarHBondContact O-CB 3.37Å; S232-M235 PolarHBondContact O-N 3.3Å; S232-M235 VanDerWaalsContact O-N 3.16Å; S232-N236 PolarHBondContact O-N 3.05Å
233	C	98.4	Very high	95.6	Very high	14 Å²	14	48 Å²	48	10%	0.095	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-40	172.4	-173.1	0	0	0	0	111.8	I190 E229 F230 M235 N236 I237 L250	I190-C233 HydrophobicContact CD1-CB 4.12Å; E229-C233 PolarHBondContact O-N 3.01Å; F230-C233 WeakPolarHBondContact O-CA 3.29Å; F230-C233 WeakPolarHBondContact O-CB 3.42Å; F230-C233 PolarHBondContact O-N 3.14Å; C233-M235 VanDerWaalsContact C-N 3.3Å; C233-M235 PolarHBondContact O-N 2.99Å; C233-N236 PolarHBondContact O-N 3.34Å; C233-I237 WeakPolarHBondContact O-CG1 3.2Å; C233-I237 PolarHBondContact O-N 3.5Å; C233-L250 HydrophobicContact CB-CD1 4.14Å; C233-L250 HydrophobicContact CB-CD2 3.95Å
234	V	98.6	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.6	-46.3	171.3	175.9	0	0	0	0	110.3	T23 V83 I145 I190 F230 S231 S232 N236 I237 L238	T23-V234 HydrophobicContact CG2-CG1 4.1Å; T23-V234 HydrophobicContact CG2-CG2 4.28Å; V83-V234 HydrophobicContact CG1-CG2 4.29Å; V83-V234 HydrophobicContact CG2-CG1 4.01Å; I145-V234 HydrophobicContact CD1-CB 4.42Å; I145-V234 HydrophobicContact CD1-CG1 3.67Å; I145-V234 HydrophobicContact CG2-CG2 4.35Å; I190-V234 HydrophobicContact CD1-CG2 3.85Å; F230-V234 HydrophobicContact CD1-CG2 4.05Å; F230-V234 HydrophobicContact CE1-CG2 3.69Å; F230-V234 HydrophobicContact CZ-CG2 4.32Å; F230-V234 WeakPolarHBondContact O-CG2 3.49Å; F230-V234 PolarHBondContact O-N 3.42Å; S231-V234 WeakPolarHBondContact O-CB 3.06Å; S231-V234 PolarHBondContact O-N 3.15Å; S232-V234 VanDerWaalsContact C-N 3.34Å; S232-V234 PolarHBondContact O-N 2.85Å; V234-N236 PolarHBondContact O-N 2.77Å; V234-I237 PolarHBondContact O-N 2.94Å; V234-L238 HydrophobicContact CG1-CD1 4.08Å; V234-L238 HydrophobicContact CG1-CG 4.46Å; V234-L238 VanDerWaalsContact O-CG 3.3Å; V234-L238 WeakPolarHBondContact O-CG 3.23Å; V234-L238 PolarHBondContact O-N 3.33Å
235	M	98.1	Very high	96.7	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.034	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-44.3	177.5	-62.4	-53.7	102.3	0	0	112.1	L5 K26 L27 E30 S231 S232 C233 I237 L238 Q239	L5-M235 HydrophobicContact CD1-CE 4.46Å; L5-M235 HydrophobicContact CD1-SD 3.56Å; L5-M235 VanDerWaalsContact CD1-SD 3.56Å; K26-M235 HydrophobicContact CD-CG 4.42Å; K26-M235 HydrophobicContact CG-CE 3.98Å; K26-M235 HydrophobicContact CG-CG 3.82Å; K26-M235 HydrophobicContact CG-SD 3.91Å; L27-M235 HydrophobicContact CD2-CE 3.79Å; L27-M235 HydrophobicContact CG-CE 4.1Å; E30-M235 HydrophobicContact CG-SD 4.14Å; S231-M235 WeakPolarHBondContact O-CG 3.47Å; S231-M235 PolarHBondContact O-N 3.25Å; S232-M235 WeakPolarHBondContact O-CB 3.37Å; S232-M235 PolarHBondContact O-N 3.3Å; S232-M235 VanDerWaalsContact O-N 3.16Å; C233-M235 VanDerWaalsContact C-N 3.3Å; C233-M235 PolarHBondContact O-N 2.99Å; M235-I237 VanDerWaalsContact C-N 3.28Å; M235-I237 PolarHBondContact O-N 2.95Å; M235-L238 HydrophobicContact CE-CD1 3.84Å; M235-L238 PolarHBondContact O-N 3.23Å; M235-L238 VanDerWaalsContact O-N 3.14Å; M235-L238 HydrophobicContact SD-CD1 4.38Å; M235-Q239 WeakPolarHBondContact O-CB 3.45Å; M235-Q239 WeakPolarHBondContact O-CG 3.25Å; M235-Q239 PolarHBondContact O-N 2.97Å
236	N	97.4	Very high	97.1	Very high	96 Å²	96	48.9 Å²	48.9	51%	0.513	26%	0.262	S	S	.	.	H	α-helix	trans	-59.1	-39.1	177.8	-66.8	-19	0	0	0	112	S232 C233 V234 N240	S232-N236 PolarHBondContact O-N 3.05Å; C233-N236 PolarHBondContact O-N 3.34Å; V234-N236 PolarHBondContact O-N 2.77Å; N236-N240 VanDerWaalsContact O-CB 3.29Å; N236-N240 WeakPolarHBondContact O-CB 3.26Å; N236-N240 PolarHBondContact O-N 3.28Å
237	I	98.3	Very high	97.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-42.4	176.5	-65.2	163.8	0	0	0	111.2	V143 I145 R186 V188 I190 C233 V234 M235 Q239 I243 L248	V143-I237 HydrophobicContact CG1-CG2 4.17Å; I145-I237 HydrophobicContact CD1-CB 3.98Å; I145-I237 HydrophobicContact CD1-CD1 4.46Å; I145-I237 HydrophobicContact CD1-CG2 3.77Å; I145-I237 HydrophobicContact CG1-CG2 3.92Å; I145-I237 HydrophobicContact CG2-CD1 4.08Å; R186-I237 PolarHBondContact NH1-O 2.84Å; R186-I237 PolarHBondContact NH2-O 3.01Å; V188-I237 HydrophobicContact CB-CD1 4.46Å; V188-I237 HydrophobicContact CB-CG2 3.96Å; V188-I237 HydrophobicContact CG1-CD1 3.78Å; V188-I237 HydrophobicContact CG1-CG1 4.16Å; V188-I237 HydrophobicContact CG1-CG2 4.15Å; V188-I237 HydrophobicContact CG2-CG2 3.82Å; I190-I237 HydrophobicContact CD1-CD1 3.73Å; I190-I237 HydrophobicContact CG1-CD1 3.59Å; C233-I237 WeakPolarHBondContact O-CG1 3.2Å; C233-I237 PolarHBondContact O-N 3.5Å; V234-I237 PolarHBondContact O-N 2.94Å; M235-I237 VanDerWaalsContact C-N 3.28Å; M235-I237 PolarHBondContact O-N 2.95Å; I237-Q239 VanDerWaalsContact C-N 3.3Å; I237-Q239 PolarHBondContact O-N 3.19Å; I237-I243 HydrophobicContact CG1-CG2 4.29Å; I237-I243 HydrophobicContact CG2-CG2 4.46Å; I237-L248 HydrophobicContact CD1-CD1 4.14Å; I237-L248 HydrophobicContact CG1-CD1 3.95Å
238	L	97.8	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-38.3	178.2	-67.9	174	0	0	0	111.7	F2 L5 L27 I81 V143 I145 R186 V234 M235	F2-L238 HydrophobicContact CE2-CD2 4.41Å; L5-L238 HydrophobicContact CD1-CD1 4.17Å; L5-L238 HydrophobicContact CD2-CD1 4.25Å; L27-L238 HydrophobicContact CD2-CD1 4.05Å; I81-L238 HydrophobicContact CB-CD2 4.48Å; I81-L238 HydrophobicContact CD1-CD1 3.81Å; I81-L238 HydrophobicContact CD1-CD2 3.82Å; I81-L238 HydrophobicContact CD1-CG 4.46Å; I81-L238 HydrophobicContact CG1-CD2 3.73Å; I81-L238 HydrophobicContact CG2-CD2 3.98Å; V143-L238 HydrophobicContact CB-CD2 3.83Å; V143-L238 HydrophobicContact CG1-CD2 4.04Å; V143-L238 HydrophobicContact CG2-CD2 4.12Å; I145-L238 HydrophobicContact CD1-CD2 3.94Å; I145-L238 HydrophobicContact CD1-CG 4.02Å; R186-L238 PolarHBondContact NH2-O 3.29Å; V234-L238 HydrophobicContact CG1-CD1 4.08Å; V234-L238 HydrophobicContact CG1-CG 4.46Å; V234-L238 VanDerWaalsContact O-CG 3.3Å; V234-L238 WeakPolarHBondContact O-CG 3.23Å; V234-L238 PolarHBondContact O-N 3.33Å; M235-L238 HydrophobicContact CE-CD1 3.84Å; M235-L238 PolarHBondContact O-N 3.23Å; M235-L238 VanDerWaalsContact O-N 3.14Å; M235-L238 HydrophobicContact SD-CD1 4.38Å
239	Q	95.2	Very high	97.5	Very high	94 Å²	94	44.7 Å²	44.7	44%	0.439	24%	0.238	S	C	.	.	H	α-helix	trans	-87	-17.4	-176.4	-69.1	174.3	-13.2	0	0	114.4	M1 M235 I237	M1-Q239 WeakPolarHBondContact CE-O 3.48Å; M235-Q239 WeakPolarHBondContact O-CB 3.45Å; M235-Q239 WeakPolarHBondContact O-CG 3.25Å; M235-Q239 PolarHBondContact O-N 2.97Å; I237-Q239 VanDerWaalsContact C-N 3.3Å; I237-Q239 PolarHBondContact O-N 3.19Å
240	N	95.8	Very high	97.4	Very high	71 Å²	71	43.8 Å²	43.8	38%	0.38	24%	0.235	S	C	.	.			trans	-107.2	106.7	177.8	-171.6	-24.9	0	0	0	110.8	R186 N236 M242 I243	R186-N240 PolarHBondContact NH1-O 3.43Å; N236-N240 VanDerWaalsContact O-CB 3.29Å; N236-N240 WeakPolarHBondContact O-CB 3.26Å; N236-N240 PolarHBondContact O-N 3.28Å; N240-M242 PolarHBondContact O-N 2.98Å; N240-M242 WeakPolarHBondContact OD1-CB 3.35Å; N240-M242 PolarHBondContact OD1-N 3.32Å; N240-I243 HydrophobicContact CB-CD1 3.74Å; N240-I243 HydrophobicContact CB-CG1 3.89Å; N240-I243 PolarHBondContact O-N 3.43Å
241	P	94.2	Very high	97.1	Very high	45 Å²	45	44.9 Å²	44.9	29%	0.292	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.5	-175.5	28	-33.8	0	0	0	112.8	M1 R186 I243	M1-P241 HydrophobicContact CB-CB 4.35Å; M1-P241 HydrophobicContact CG-CB 4.38Å; R186-P241 WeakPolarHBondContact CD-O 3.35Å; P241-I243 VanDerWaalsContact C-N 3.3Å; P241-I243 PolarHBondContact O-N 2.92Å
242	M	95.7	Very high	96.7	Very high	168 Å²	168	46.5 Å²	46.5	83%	0.828	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-6.3	-178.8	-62.9	-58.8	-65.4	0	0	113.4	N240 N244	N240-M242 PolarHBondContact O-N 2.98Å; N240-M242 WeakPolarHBondContact OD1-CB 3.35Å; N240-M242 PolarHBondContact OD1-N 3.32Å; M242-N244 PolarHBondContact O-N 3.01Å
243	I	98	Very high	96.3	Very high	31 Å²	31	44.9 Å²	44.9	16%	0.159	25%	0.251	C	S	.	.			trans	-84.8	105	174.1	-57.2	-179.6	0	0	0	108.8	R186 V188 I237 N240 P241 V246 L248	R186-I243 PolarHBondContact NH1-O 3.5Å; V188-I243 HydrophobicContact CG1-CG2 3.88Å; V188-I243 HydrophobicContact CG2-CG2 3.92Å; V188-I243 WeakPolarHBondContact CG2-O 3.32Å; I237-I243 HydrophobicContact CG1-CG2 4.29Å; I237-I243 HydrophobicContact CG2-CG2 4.46Å; N240-I243 HydrophobicContact CB-CD1 3.74Å; N240-I243 HydrophobicContact CB-CG1 3.89Å; N240-I243 PolarHBondContact O-N 3.43Å; P241-I243 VanDerWaalsContact C-N 3.3Å; P241-I243 PolarHBondContact O-N 2.92Å; I243-V246 HydrophobicContact CG2-CG2 3.94Å; I243-L248 HydrophobicContact CD1-CD1 4.42Å; I243-L248 HydrophobicContact CG2-CD1 3.99Å
244	N	98.5	Very high	95.6	Very high	59 Å²	59	44.5 Å²	44.5	32%	0.316	25%	0.249	S	C	.	.			trans	-151.4	148.3	177.1	-170.7	32.6	0	0	0	111.5	R186 C187 M242 V246	R186-N244 VanDerWaalsContact CA-OD1 3.23Å; R186-N244 WeakPolarHBondContact CA-OD1 3.3Å; R186-N244 HydrophobicContact CB-CB 4.36Å; R186-N244 WeakPolarHBondContact CB-OD1 3.37Å; R186-N244 HydrophobicContact CG-CB 4.13Å; C187-N244 PolarHBondContact N-OD1 3.2Å; C187-N244 PolarHBondContact O-OD1 3.48Å; M242-N244 PolarHBondContact O-N 3.01Å; N244-V246 PolarHBondContact O-N 3.38Å
245	G	98.6	Very high	94.9	Very high	12 Å²	12	50.4 Å²	50.4	12%	0.124	27%	0.271	C	S	.	.	S	Bend	trans	66.5	19.4	171.7	0	0	0	0	0	115	A177 C187	A177-G245 VanDerWaalsContact CB-CA 3.49Å; C187-G245 WeakPolarHBondContact O-CA 3.47Å; C187-G245 PolarHBondContact O-N 3.36Å
246	V	98.7	Very high	93.7	Very high	62 Å²	62	51.8 Å²	51.8	38%	0.376	28%	0.279	S	S	.	.			trans	-123.7	154.8	-175.1	-66.9	0	0	0	0	112	V188 S189 I243 N244 L248	V188-V246 HydrophobicContact CG1-CG2 4.33Å; V188-V246 WeakPolarHBondContact CG1-O 3.3Å; S189-V246 PolarHBondContact N-O 2.89Å; I243-V246 HydrophobicContact CG2-CG2 3.94Å; N244-V246 PolarHBondContact O-N 3.38Å; V246-L248 HydrophobicContact CG2-CD2 3.8Å; V246-L248 HydrophobicContact CG2-CG 4.24Å
247	T	98.7	Very high	92.3	Very high	31 Å²	31	52.7 Å²	52.7	19%	0.19	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	106.8	167.3	-58.4	0	0	0	0	109.1	A148 Y153 S189 A191	A148-T247 HydrophobicContact CB-CG2 4.14Å; Y153-T247 HydrophobicContact CE2-CG2 4.47Å; Y153-T247 WeakPolarHBondContact OH-CB 3.46Å; Y153-T247 VanDerWaalsContact OH-CG2 3.23Å; Y153-T247 WeakPolarHBondContact OH-CG2 3.37Å; S189-T247 WeakPolarHBondContact CB-OG1 3.24Å; S189-T247 CarbonylContact O-C 3.54Å; S189-T247 VanDerWaalsContact O-CA 3.3Å; S189-T247 WeakPolarHBondContact O-CA 3.42Å; A191-T247 HydrophobicContact CB-CG2 3.62Å
248	L	98.4	Very high	90.6	Very high	54 Å²	54	59.1 Å²	59.1	28%	0.283	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.8	179	-58.9	-177	0	0	0	110.1	V188 S189 I190 A191 I237 I243 V246	V188-L248 HydrophobicContact CG1-CD1 4.44Å; V188-L248 HydrophobicContact CG1-CG 4.36Å; S189-L248 PolarHBondContact O-N 3.39Å; I190-L248 CarbonylContact C-O 3.5Å; I190-L248 WeakPolarHBondContact CA-O 3.5Å; A191-L248 PolarHBondContact N-O 2.81Å; I237-L248 HydrophobicContact CD1-CD1 4.14Å; I237-L248 HydrophobicContact CG1-CD1 3.95Å; I243-L248 HydrophobicContact CD1-CD1 4.42Å; I243-L248 HydrophobicContact CG2-CD1 3.99Å; V246-L248 HydrophobicContact CG2-CD2 3.8Å; V246-L248 HydrophobicContact CG2-CG 4.24Å
249	R	96.1	Very high	88.5	Confident	74 Å²	74	65 Å²	65	28%	0.279	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	128.2	170.8	-65.9	-175	65.8	121.3	-0.9	109.7	E154 A191 D251 G254	E154-R249 IonicContact OE2-CZ 2.7Å; E154-R249 IonicContact OE2-NH1 2.99Å; E154-R249 PolarHBondContact OE2-NH1 3.45Å; E154-R249 IonicContact OE2-NH2 3.22Å; E154-R249 PolarHBondContact OE2-NH2 3.3Å; A191-R249 HydrophobicContact CB-CG 4.48Å; R249-D251 IonicContact CZ-OD2 3.22Å; R249-D251 IonicContact NE-OD2 2.66Å; R249-D251 PolarHBondContact NE-OD2 3.28Å; R249-D251 IonicContact NH2-OD2 3.12Å; R249-D251 PolarHBondContact NH2-OD2 3.02Å; R249-G254 PolarHBondContact NH2-O 3.22Å
250	L	95.4	Very high	88.2	Confident	44 Å²	44	63.5 Å²	63.5	23%	0.23	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	73	175.2	-173.2	72.9	0	0	0	108.6	I190 A191 P192 G193 F230 C233	I190-L250 HydrophobicContact CG2-CB 3.74Å; I190-L250 HydrophobicContact CG2-CD2 4.1Å; A191-L250 PolarHBondContact O-N 2.85Å; P192-L250 WeakPolarHBondContact CA-O 3.11Å; G193-L250 PolarHBondContact N-O 2.71Å; F230-L250 HydrophobicContact CB-CD2 4.13Å; F230-L250 HydrophobicContact CD2-CD2 4.23Å; C233-L250 HydrophobicContact CB-CD1 4.14Å; C233-L250 HydrophobicContact CB-CD2 3.95Å
251	D	92.1	Very high	87.8	Confident	22 Å²	22	63.1 Å²	63.1	12%	0.118	34%	0.339	C	S	.	.	S	Bend	trans	-140.2	6.5	-165.6	64.9	-2.6	0	0	0	114.2	V150 R249 G253 G254 R255	V150-D251 HydrophobicContact CG1-CB 3.76Å; R249-D251 IonicContact CZ-OD2 3.22Å; R249-D251 IonicContact NE-OD2 2.66Å; R249-D251 PolarHBondContact NE-OD2 3.28Å; R249-D251 IonicContact NH2-OD2 3.12Å; R249-D251 PolarHBondContact NH2-OD2 3.02Å; D251-G253 PolarHBondContact O-N 3.27Å; D251-G253 PolarHBondContact OD1-N 2.89Å; D251-G254 PolarHBondContact O-N 3.34Å; D251-R255 IonicContact OD2-NH1 3.28Å; D251-R255 PolarHBondContact OD2-NH1 2.77Å
252	G	89.6	Confident	87.4	Confident	37 Å²	37	64.1 Å²	64.1	38%	0.381	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	18.8	-177.2	0	0	0	0	0	114.1	A220 G254	A220-G252 PolarHBondContact N-O 3.15Å; G252-G254 VanDerWaalsContact C-N 3.31Å
253	G	89.1	Confident	87	Confident	22 Å²	22	58 Å²	58	23%	0.227	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	1.9	-174.5	0	0	0	0	0	114.3	L219 D251 R255	L219-G253 WeakPolarHBondContact CD1-O 3.44Å; L219-G253 WeakPolarHBondContact CG-O 3.47Å; D251-G253 PolarHBondContact O-N 3.27Å; D251-G253 PolarHBondContact OD1-N 2.89Å; G253-R255 PolarHBondContact O-NH1 2.93Å
254	G	84.6	Confident	86.3	Confident	6 Å²	6	59.7 Å²	59.7	6%	0.062	32%	0.323	C	S	.	.			trans	-56	139.7	180	0	0	0	0	0	112.9	V217 R249 D251 G252	V217-G254 WeakPolarHBondContact O-CA 3.46Å; R249-G254 PolarHBondContact NH2-O 3.22Å; D251-G254 PolarHBondContact O-N 3.34Å; G252-G254 VanDerWaalsContact C-N 3.31Å
255	R	83.1	Confident	85.5	Confident	123 Å²	123	59.7 Å²	59.7	46%	0.464	32%	0.323	S	S	.	.			trans	-121.1	107.2	168.8	-66.3	-66.1	177.1	-85.6	-1.7	106.5	E154 D251 G253 I257	E154-R255 VanDerWaalsContact OE1-CA 3.25Å; E154-R255 WeakPolarHBondContact OE1-CA 3.03Å; E154-R255 WeakPolarHBondContact OE1-CB 3.41Å; E154-R255 WeakPolarHBondContact OE1-CD 3.29Å; D251-R255 IonicContact OD2-NH1 3.28Å; D251-R255 PolarHBondContact OD2-NH1 2.77Å; G253-R255 PolarHBondContact O-NH1 2.93Å; R255-I257 PolarHBondContact O-N 3.43Å
256	L	73	Confident	84.5	Confident	36 Å²	36	63.1 Å²	63.1	19%	0.188	34%	0.338	C	S	.	.			trans	-73	99.1	-176.5	-68	176	0	0	0	108.1	V150 E154 Q156 L194 L214 V217	V150-L256 HydrophobicContact CG2-CD1 4.01Å; E154-L256 PolarHBondContact OE1-N 3.36Å; Q156-L256 PolarHBondContact NE2-O 3.01Å; L194-L256 HydrophobicContact CD1-CD2 4.08Å; L194-L256 HydrophobicContact CD2-CD1 4.44Å; L194-L256 HydrophobicContact CG-CD2 4.24Å; L214-L256 HydrophobicContact CD2-CD2 4.41Å; V217-L256 HydrophobicContact CG2-CD2 4.01Å
257	I	67.3	Low	83.4	Confident	115 Å²	115	63.2 Å²	63.2	59%	0.59	34%	0.335	S	S	*	.			trans	-72	144.8	171.7	-54.3	172.4	0	0	0	107.6	R255 V259	R255-I257 PolarHBondContact O-N 3.43Å; I257-V259 PolarHBondContact O-N 2.71Å
258	F	63.8	Low	82.2	Confident	135 Å²	135	65.9 Å²	65.9	59%	0.592	35%	0.347	S	S	*	.			trans	-54.2	130.6	176.2	178.4	-111.7	0	0	0	110.9	V157	V157-F258 HydrophobicContact CB-CE2 3.99Å; V157-F258 HydrophobicContact CG2-CD2 4.07Å; V157-F258 HydrophobicContact CG2-CE2 3.23Å; V157-F258 HydrophobicContact CG2-CZ 3.95Å
259	V	53.7	Low	80.7	Confident	123 Å²	123	67 Å²	67	75%	0.745	35%	0.352	S	S	*	.			trans	-113.7	0	172.2	-148.9	0	0	0	0	110.1	Y213 I257	Y213-V259 HydrophobicContact CD1-CG1 4.47Å; Y213-V259 HydrophobicContact CD1-CG2 3.99Å; Y213-V259 HydrophobicContact CE1-CB 4.37Å; Y213-V259 HydrophobicContact CE1-CG1 4.19Å; Y213-V259 HydrophobicContact CE1-CG2 3.25Å; I257-V259 PolarHBondContact O-N 2.71Å

Retrieved 259 of 259 residues in 84.5 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).