A0A3Q0KJV7_SCHMA Loading...

Cilia- and flagella-associated protein 300 AlphaSync

Cilium- and flagellum-specific protein that plays a role in axonemal structure organization and motility. May play a role in outer and inner dynein arm assembly.

AlphaFold DB , UniProt , Accession A0A3Q0KJV7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	C	52.5	Low	41	Very low	154 Å²	154	141.3 Å²	141.3	100%	1.041	70%	0.696	S	S	*	*				0	-47.9	0	-75.2	0	0	0	0	114.7	K3 Y4	C1-K3 PolarHBondContact O-N 3.08Å; C1-Y4 PolarHBondContact O-N 2.87Å
2	Q	48.1	Very low	40.9	Very low	170 Å²	170	142.4 Å²	142.4	79%	0.794	70%	0.698	S	S	*	*	H	α-helix	trans	-66.3	-34.9	-177	-81.2	169.2	-23.2	0	0	114.8	Y4 K5 H6	Q2-Y4 VanDerWaalsContact C-N 3.29Å; Q2-Y4 PolarHBondContact O-N 2.75Å; Q2-K5 PolarHBondContact O-N 2.67Å; Q2-K5 VanDerWaalsContact O-N 3.17Å; Q2-H6 PolarHBondContact O-N 3.49Å
3	K	42.7	Very low	40.7	Very low	176 Å²	176	138.1 Å²	138.1	77%	0.765	70%	0.699	S	S	*	*	H	α-helix	trans	-64.5	-31.8	-179.3	-149.1	176.5	-173.9	-178.4	0	113.5	C1 L7	C1-K3 PolarHBondContact O-N 3.08Å; K3-L7 PolarHBondContact O-N 2.8Å
4	Y	37.7	Very low	41.3	Very low	174 Å²	174	135.3 Å²	135.3	68%	0.682	69%	0.687	S	S	*	*	H	α-helix	trans	-76.3	-31.2	175.5	-82.7	-84.9	0	0	0	112.5	C1 Q2 H6 L7 L8	C1-Y4 PolarHBondContact O-N 2.87Å; Q2-Y4 VanDerWaalsContact C-N 3.29Å; Q2-Y4 PolarHBondContact O-N 2.75Å; Y4-H6 VanDerWaalsContact C-N 3.29Å; Y4-H6 PolarHBondContact O-N 3.29Å; Y4-L7 PolarHBondContact O-N 3.49Å; Y4-L8 VanDerWaalsContact O-CB 3.3Å; Y4-L8 WeakPolarHBondContact O-CB 3.37Å; Y4-L8 WeakPolarHBondContact O-CD1 3.11Å; Y4-L8 WeakPolarHBondContact O-CG 3.38Å; Y4-L8 PolarHBondContact O-N 3.32Å
5	K	41.6	Very low	42.3	Very low	163 Å²	163	136.4 Å²	136.4	71%	0.709	69%	0.689	S	S	*	*	H	α-helix	trans	-63.4	-35.6	173.9	-83.5	-170.7	172.7	-172.6	0	112.4	Q2 S9	Q2-K5 PolarHBondContact O-N 2.67Å; Q2-K5 VanDerWaalsContact O-N 3.17Å; K5-S9 PolarHBondContact O-N 3.04Å; K5-S9 PolarHBondContact O-OG 2.74Å
6	H	39.7	Very low	44.7	Very low	148 Å²	148	128.8 Å²	128.8	69%	0.685	66%	0.655	S	S	*	*	H	α-helix	trans	-72.7	-31	176.7	-109.3	-66.6	0	0	0	113.6	Q2 Y4 S9	Q2-H6 PolarHBondContact O-N 3.49Å; Y4-H6 VanDerWaalsContact C-N 3.29Å; Y4-H6 PolarHBondContact O-N 3.29Å; H6-S9 WeakPolarHBondContact CA-OG 3.48Å; H6-S9 PolarHBondContact O-OG 3.42Å
7	L	35	Very low	47.6	Very low	97 Å²	97	122.2 Å²	122.2	51%	0.508	62%	0.621	S	S	.	*	H	α-helix	trans	-76.5	-38.2	172.6	-90.3	141.4	0	0	0	111.4	K3 Y4 S9 M10 E11	K3-L7 PolarHBondContact O-N 2.8Å; Y4-L7 PolarHBondContact O-N 3.49Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 3.45Å; L7-M10 CarbonylContact O-C 3.54Å; L7-M10 WeakPolarHBondContact O-CA 3.04Å; L7-M10 WeakPolarHBondContact O-CB 3.48Å; L7-M10 PolarHBondContact O-N 3.33Å; L7-E11 PolarHBondContact O-N 2.95Å
8	L	36.6	Very low	50.2	Low	100 Å²	100	121.4 Å²	121.4	52%	0.524	62%	0.618	S	S	.	*	H	α-helix	trans	-65.4	-28.4	173.5	-79.5	155.9	0	0	0	112.8	Y4 M10 E11 Q12	Y4-L8 VanDerWaalsContact O-CB 3.3Å; Y4-L8 WeakPolarHBondContact O-CB 3.37Å; Y4-L8 WeakPolarHBondContact O-CD1 3.11Å; Y4-L8 WeakPolarHBondContact O-CG 3.38Å; Y4-L8 PolarHBondContact O-N 3.32Å; L8-M10 PolarHBondContact O-N 3.01Å; L8-E11 PolarHBondContact O-N 2.95Å; L8-Q12 PolarHBondContact O-N 3.46Å
9	S	40.7	Very low	52.6	Low	72 Å²	72	119.3 Å²	119.3	50%	0.503	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.7	-16.5	170.1	58.7	0	0	0	0	113.5	K5 H6 L7	K5-S9 PolarHBondContact O-N 3.04Å; K5-S9 PolarHBondContact O-OG 2.74Å; H6-S9 WeakPolarHBondContact CA-OG 3.48Å; H6-S9 PolarHBondContact O-OG 3.42Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 3.45Å
10	M	38.7	Very low	54.7	Low	162 Å²	162	115.9 Å²	115.9	80%	0.798	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-22.7	169.8	-62.7	-173.7	73	0	0	112.2	L7 L8	L7-M10 CarbonylContact O-C 3.54Å; L7-M10 WeakPolarHBondContact O-CA 3.04Å; L7-M10 WeakPolarHBondContact O-CB 3.48Å; L7-M10 PolarHBondContact O-N 3.33Å; L8-M10 PolarHBondContact O-N 3.01Å
11	E	37.5	Very low	56.5	Low	138 Å²	138	115.4 Å²	115.4	65%	0.645	60%	0.595	S	S	*	*			trans	-88.7	6.8	177.1	-77.1	-176.8	158.5	0	0	114.3	L7 L8 A13	L7-E11 PolarHBondContact O-N 2.95Å; L8-E11 PolarHBondContact O-N 2.95Å; E11-A13 PolarHBondContact O-N 2.92Å
12	Q	40.3	Very low	58.2	Low	155 Å²	155	111.6 Å²	111.6	72%	0.724	58%	0.582	S	S	*	*			trans	-71.9	70.5	158.1	-74.1	-172.5	-17.1	0	0	108.9	L8 N14	L8-Q12 PolarHBondContact O-N 3.46Å; Q12-N14 PolarHBondContact O-N 3.35Å
13	A	38.2	Very low	60.4	Low	86 Å²	86	108 Å²	108	71%	0.711	56%	0.56	S	S	*	*			trans	-68.8	51.2	168.1	0	0	0	0	0	110.6	E11 E15	E11-A13 PolarHBondContact O-N 2.92Å; A13-E15 PolarHBondContact O-N 3.4Å; A13-E15 VanDerWaalsContact O-N 3.08Å
14	N	48.7	Very low	62.8	Low	99 Å²	99	107.6 Å²	107.6	53%	0.529	56%	0.562	S	S	.	*			trans	-81.1	81.3	159.6	-104.1	16.2	0	0	0	108.1	Q12 P73	Q12-N14 PolarHBondContact O-N 3.35Å; N14-P73 HydrophobicContact CB-CG 4.49Å
15	E	56	Low	65.6	Low	152 Å²	152	99.9 Å²	99.9	71%	0.71	53%	0.531	S	S	*	.	S	Bend		63.2	117.4	126.5	-63.5	174	171.6	0	0	117.5	A13 F17	A13-E15 PolarHBondContact O-N 3.4Å; A13-E15 VanDerWaalsContact O-N 3.08Å; E15-F17 VanDerWaalsContact C-N 3.3Å; E15-F17 PolarHBondContact O-N 3.29Å
16	G	81.6	Confident	68.3	Low	15 Å²	15	95.5 Å²	95.5	16%	0.155	52%	0.52	C	S	.	.	S	Bend	trans	80.3	-34.4	151.8	0	0	0	0	0	117.9	F53 D54	G16-F53 WeakPolarHBondContact O-CA 3.19Å; G16-F53 WeakPolarHBondContact O-CB 3.39Å; G16-D54 WeakPolarHBondContact CA-OD1 3.32Å
17	F	94.1	Very high	71.1	Confident	16 Å²	16	88.5 Å²	88.5	7%	0.07	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	119.8	-166.6	-56.1	-74.3	0	0	0	113.9	E15 T52 F53 F65 F69 S74 V75	E15-F17 VanDerWaalsContact C-N 3.3Å; E15-F17 PolarHBondContact O-N 3.29Å; F17-T52 WeakPolarHBondContact CA-O 3.13Å; F17-F53 HydrophobicContact CD1-CB 3.6Å; F17-F53 HydrophobicContact CE1-CB 3.6Å; F17-F53 HydrophobicContact CE1-CG 4.23Å; F17-F65 HydrophobicContact CE1-CE1 4.14Å; F17-F65 AromaticContact CE1-CE2 3.73Å; F17-F65 HydrophobicContact CE1-CE2 3.73Å; F17-F65 AromaticContact CE1-CZ 3.53Å; F17-F65 HydrophobicContact CE1-CZ 3.53Å; F17-F65 HydrophobicContact CZ-CD2 4.16Å; F17-F65 HydrophobicContact CZ-CE1 4.43Å; F17-F65 AromaticContact CZ-CE2 3.81Å; F17-F65 HydrophobicContact CZ-CE2 3.81Å; F17-F65 AromaticContact CZ-CZ 3.97Å; F17-F65 HydrophobicContact CZ-CZ 3.97Å; F17-F69 HydrophobicContact CB-CD2 4.12Å; F17-F69 HydrophobicContact CB-CE2 4.45Å; F17-F69 AromaticContact CD1-CD2 3.42Å; F17-F69 HydrophobicContact CD1-CD2 3.42Å; F17-F69 VanDerWaalsContact CD1-CD2 3.42Å; F17-F69 HydrophobicContact CD1-CE2 4.06Å; F17-F69 HydrophobicContact CD1-CG 4.47Å; F17-F69 HydrophobicContact CD2-CB 4.44Å; F17-F69 HydrophobicContact CD2-CD2 4.25Å; F17-F69 HydrophobicContact CE1-CB 4.27Å; F17-F69 AromaticContact CE1-CD2 3.77Å; F17-F69 HydrophobicContact CE1-CD2 3.77Å; F17-F69 HydrophobicContact CE1-CG 4.49Å; F17-F69 HydrophobicContact CE2-CB 4.13Å; F17-F69 AromaticContact CG-CD2 3.66Å; F17-F69 HydrophobicContact CG-CD2 3.66Å; F17-F69 HydrophobicContact CG-CE2 4.38Å; F17-F69 HydrophobicContact CZ-CB 4.03Å; F17-F69 HydrophobicContact CZ-CD2 4.32Å; F17-S74 WeakPolarHBondContact O-CB 3.35Å; F17-S74 PolarHBondContact O-OG 3.33Å; F17-V75 HydrophobicContact CB-CG2 4.17Å
18	L	93.8	Very high	74	Confident	109 Å²	109	86.6 Å²	86.6	57%	0.571	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.2	179.7	-63.8	175.4	0	0	0	110.9	F51 T52	L18-F51 CarbonylContact O-C 3.57Å; L18-F51 WeakPolarHBondContact O-CA 3.16Å; L18-T52 HydrophobicContact CB-CG2 4.01Å; L18-T52 PolarHBondContact N-O 2.9Å; L18-T52 VanDerWaalsContact N-O 3.11Å; L18-T52 PolarHBondContact O-N 3.18Å
19	I	95.6	Very high	76.7	Confident	80 Å²	80	86.2 Å²	86.2	41%	0.41	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	140.7	173.1	-170.5	168.3	0	0	0	110.3	P21 F51 A78	I19-P21 WeakPolarHBondContact O-CD 3.48Å; I19-F51 HydrophobicContact CB-CD1 3.91Å; I19-F51 HydrophobicContact CB-CE1 3.78Å; I19-F51 HydrophobicContact CD1-CE1 4.49Å; I19-F51 HydrophobicContact CG1-CD1 4.48Å; I19-F51 HydrophobicContact CG1-CE1 4.18Å; I19-F51 HydrophobicContact CG1-CZ 4.49Å; I19-A78 HydrophobicContact CD1-CB 3.97Å
20	I	96.1	Very high	79.4	Confident	51 Å²	51	85 Å²	85	26%	0.262	47%	0.471	S	S	.	.			trans	-93.3	96	167.9	-55.6	-177.4	0	0	0	107.2	R23 T50 N244	I20-R23 HydrophobicContact CG2-CB 4.2Å; I20-T50 HydrophobicContact CD1-CG2 3.91Å; I20-T50 HydrophobicContact CG1-CG2 4.49Å; I20-T50 PolarHBondContact N-O 2.98Å; I20-N244 WeakPolarHBondContact CD1-OD1 3.36Å
21	P	90.6	Very high	82.2	Confident	107 Å²	107	84.9 Å²	84.9	70%	0.695	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	142.6	-178.2	29.4	-35.7	0	0	0	110.3	I19 R23	I19-P21 WeakPolarHBondContact O-CD 3.48Å; P21-R23 PolarHBondContact O-N 3.47Å
22	G	88.7	Confident	85.1	Confident	74 Å²	74	82.5 Å²	82.5	76%	0.763	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	14.5	175.3	0	0	0	0	0	115.1	E24	G22-E24 PolarHBondContact O-N 3.37Å
23	R	94.1	Very high	87.8	Confident	93 Å²	93	75.1 Å²	75.1	35%	0.351	42%	0.42	S	S	.	.			trans	-59.8	114	168.9	178.6	118	177.6	174.9	-0.8	109.3	I20 P21 Y25 T50 N244	I20-R23 HydrophobicContact CG2-CB 4.2Å; P21-R23 PolarHBondContact O-N 3.47Å; R23-Y25 HydrophobicContact CB-CE2 4.5Å; R23-Y25 HydrophobicContact CG-CD2 4.47Å; R23-Y25 HydrophobicContact CG-CE2 3.77Å; R23-T50 WeakPolarHBondContact CG-OG1 3.26Å; R23-N244 PolarHBondContact NH1-ND2 2.95Å
24	E	94.2	Very high	90.6	Very high	169 Å²	169	72.4 Å²	72.4	79%	0.79	39%	0.393	S	S	*	.			trans	-81.5	143.5	177.7	-63.2	-178.2	174.4	0	0	111.8	G22	G22-E24 PolarHBondContact O-N 3.37Å
25	Y	97	Very high	93	Very high	12 Å²	12	72.7 Å²	72.7	5%	0.047	39%	0.392	C	S	.	.			trans	-120.2	109.5	170.4	-75.3	-86	0	0	0	108	R23 F27 L28 S29 V48 T50 D190 L191 I246	R23-Y25 HydrophobicContact CB-CE2 4.5Å; R23-Y25 HydrophobicContact CG-CD2 4.47Å; R23-Y25 HydrophobicContact CG-CE2 3.77Å; Y25-F27 HydrophobicContact CD1-CD1 4.49Å; Y25-F27 AromaticContact CD1-CE1 3.93Å; Y25-F27 HydrophobicContact CD1-CE1 3.93Å; Y25-F27 HydrophobicContact CG-CE1 4.07Å; Y25-F27 PolarHBondContact O-N 3.38Å; Y25-F27 VanDerWaalsContact O-N 3.09Å; Y25-L28 WeakPolarHBondContact O-CB 3.24Å; Y25-L28 PolarHBondContact O-N 2.99Å; Y25-S29 PolarHBondContact O-N 2.99Å; Y25-V48 HydrophobicContact CD1-CG1 4.19Å; Y25-V48 HydrophobicContact CD2-CB 3.98Å; Y25-V48 HydrophobicContact CD2-CG1 3.67Å; Y25-V48 HydrophobicContact CE1-CG1 3.82Å; Y25-V48 HydrophobicContact CE2-CB 4.01Å; Y25-V48 HydrophobicContact CE2-CG1 3.26Å; Y25-V48 HydrophobicContact CG-CB 4.44Å; Y25-V48 HydrophobicContact CG-CG1 4.13Å; Y25-T50 PolarHBondContact OH-OG1 3.33Å; Y25-D190 HydrophobicContact CD1-CB 4.35Å; Y25-L191 HydrophobicContact CD1-CD2 4.15Å; Y25-L191 HydrophobicContact CE1-CD2 3.85Å; Y25-I246 HydrophobicContact CE1-CD1 4.37Å; Y25-I246 HydrophobicContact CE1-CG2 4.3Å; Y25-I246 WeakPolarHBondContact OH-CG1 3.45Å; Y25-I246 VanDerWaalsContact OH-CG2 3.27Å; Y25-I246 WeakPolarHBondContact OH-CG2 3.44Å
26	P	97.9	Very high	95	Very high	71 Å²	71	67.5 Å²	67.5	46%	0.461	37%	0.366	S	S	.	.	H	α-helix	trans	-51.5	-38.2	-173	-29.7	34.1	0	0	0	114.1	L28 S29 D30 D190	P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 2.83Å; P26-S29 CarbonylContact O-C 3.59Å; P26-S29 PolarHBondContact O-N 2.75Å; P26-S29 PolarHBondContact O-OG 2.96Å; P26-D30 PolarHBondContact O-N 3.41Å; P26-D190 WeakPolarHBondContact CB-OD2 3.49Å; P26-D190 WeakPolarHBondContact CD-OD2 3.3Å
27	F	97.8	Very high	95.8	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-29.9	176.9	80.8	-93.5	0	0	0	113.9	Y25 V33 F37 V48 K186 I187 D190 L191 F248	Y25-F27 HydrophobicContact CD1-CD1 4.49Å; Y25-F27 AromaticContact CD1-CE1 3.93Å; Y25-F27 HydrophobicContact CD1-CE1 3.93Å; Y25-F27 HydrophobicContact CG-CE1 4.07Å; Y25-F27 PolarHBondContact O-N 3.38Å; Y25-F27 VanDerWaalsContact O-N 3.09Å; F27-V33 HydrophobicContact CD2-CG1 4.48Å; F27-V33 WeakPolarHBondContact O-CB 3.07Å; F27-V33 VanDerWaalsContact O-CG1 3.29Å; F27-V33 WeakPolarHBondContact O-CG1 3.4Å; F27-F37 HydrophobicContact CD2-CE2 4.06Å; F27-F37 HydrophobicContact CD2-CZ 4.1Å; F27-F37 HydrophobicContact CE2-CE2 4.14Å; F27-F37 HydrophobicContact CE2-CZ 4.17Å; F27-V48 HydrophobicContact CE1-CG2 4.17Å; F27-V48 HydrophobicContact CZ-CG2 3.58Å; F27-K186 HydrophobicContact CB-CB 3.99Å; F27-I187 HydrophobicContact CB-CG1 4.28Å; F27-I187 HydrophobicContact CD1-CG1 4.47Å; F27-I187 HydrophobicContact CD2-CB 4.48Å; F27-I187 HydrophobicContact CD2-CG1 3.56Å; F27-I187 HydrophobicContact CE1-CG2 4.37Å; F27-I187 HydrophobicContact CE2-CG1 3.87Å; F27-I187 HydrophobicContact CE2-CG2 4.43Å; F27-I187 HydrophobicContact CG-CB 4.43Å; F27-I187 HydrophobicContact CG-CG1 3.87Å; F27-I187 HydrophobicContact CZ-CG1 4.42Å; F27-I187 HydrophobicContact CZ-CG2 4.22Å; F27-D190 WeakPolarHBondContact CB-OD2 3.48Å; F27-D190 HydrophobicContact CD1-CB 3.74Å; F27-D190 HydrophobicContact CE1-CB 4.35Å; F27-D190 PolarHBondContact N-OD2 2.97Å; F27-L191 HydrophobicContact CE1-CD2 4.33Å; F27-L191 HydrophobicContact CE1-CG 4.46Å; F27-F248 HydrophobicContact CZ-CE2 4.35Å
28	L	95.5	Very high	96	Very high	58 Å²	58	68.8 Å²	68.8	30%	0.304	37%	0.369	S	S	.	.	H	α-helix	trans	-76.1	-25.4	175.8	-67.4	179.9	0	0	0	112.2	Y25 P26 N34 F37 V48	Y25-L28 WeakPolarHBondContact O-CB 3.24Å; Y25-L28 PolarHBondContact O-N 2.99Å; P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 2.83Å; L28-N34 PolarHBondContact O-ND2 3.01Å; L28-N34 PolarHBondContact O-OD1 3.45Å; L28-F37 HydrophobicContact CD2-CE2 4.2Å; L28-V48 HydrophobicContact CD1-CB 4.31Å; L28-V48 HydrophobicContact CD1-CG2 4.08Å
29	S	94.5	Very high	96.2	Very high	92 Å²	92	66.7 Å²	66.7	64%	0.643	36%	0.356	S	S	*	.	H	α-helix	trans	-91.6	-9.2	174.9	62	0	0	0	0	113.7	Y25 P26 K31	Y25-S29 PolarHBondContact O-N 2.99Å; P26-S29 CarbonylContact O-C 3.59Å; P26-S29 PolarHBondContact O-N 2.75Å; P26-S29 PolarHBondContact O-OG 2.96Å; S29-K31 PolarHBondContact O-N 3.37Å
30	D	97.8	Very high	96.3	Very high	46 Å²	46	62.9 Å²	62.9	25%	0.246	34%	0.336	C	S	.	.			trans	-72.7	121.1	-178.1	-175.6	-66.1	0	0	0	110.2	P26 Q32 V33 N34 K186	P26-D30 PolarHBondContact O-N 3.41Å; D30-Q32 VanDerWaalsContact C-N 3.32Å; D30-Q32 PolarHBondContact O-N 3.11Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.26Å; D30-Q32 PolarHBondContact OD1-N 3.25Å; D30-V33 HydrophobicContact CB-CB 3.99Å; D30-V33 HydrophobicContact CB-CG2 3.9Å; D30-V33 PolarHBondContact O-N 3.44Å; D30-V33 PolarHBondContact OD1-N 3.24Å; D30-N34 PolarHBondContact O-N 2.94Å; D30-N34 PolarHBondContact O-ND2 2.92Å; D30-K186 IonicContact OD1-NZ 2.9Å; D30-K186 PolarHBondContact OD1-NZ 3.19Å; D30-K186 VanDerWaalsContact OD2-CE 3.27Å; D30-K186 WeakPolarHBondContact OD2-CE 3.31Å; D30-K186 IonicContact OD2-NZ 2.75Å; D30-K186 PolarHBondContact OD2-NZ 3.14Å
31	K	97.2	Very high	96.4	Very high	160 Å²	160	60.6 Å²	60.6	70%	0.696	32%	0.324	S	S	*	.	H	α-helix	trans	-58.4	-44.4	-175.5	-175.6	-178.8	175.8	-171.7	0	112.2	S29 N34 E35	S29-K31 PolarHBondContact O-N 3.37Å; K31-N34 PolarHBondContact O-N 2.88Å; K31-E35 WeakPolarHBondContact CE-OE1 3.21Å; K31-E35 WeakPolarHBondContact O-CG 3.32Å; K31-E35 PolarHBondContact O-N 3.14Å
32	Q	97.5	Very high	96.7	Very high	88 Å²	88	55.5 Å²	55.5	41%	0.411	29%	0.291	S	S	.	.	H	α-helix	trans	-69.5	-40.2	-177.6	-173.1	-177.4	30.5	0	0	111.2	D30 N34 E35 Y36	D30-Q32 VanDerWaalsContact C-N 3.32Å; D30-Q32 PolarHBondContact O-N 3.11Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.26Å; D30-Q32 PolarHBondContact OD1-N 3.25Å; Q32-N34 VanDerWaalsContact C-N 3.31Å; Q32-N34 PolarHBondContact O-N 3.18Å; Q32-E35 PolarHBondContact O-N 3.34Å; Q32-Y36 HydrophobicContact CG-CD2 4.04Å; Q32-Y36 HydrophobicContact CG-CE2 3.58Å; Q32-Y36 WeakPolarHBondContact O-CD2 3.47Å; Q32-Y36 PolarHBondContact O-N 3.12Å; Q32-Y36 VanDerWaalsContact O-N 3.07Å
33	V	98.2	Very high	97.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-39.9	174.8	175.6	0	0	0	0	110.9	F27 D30 Y36 F37 T183 K186	F27-V33 HydrophobicContact CD2-CG1 4.48Å; F27-V33 WeakPolarHBondContact O-CB 3.07Å; F27-V33 VanDerWaalsContact O-CG1 3.29Å; F27-V33 WeakPolarHBondContact O-CG1 3.4Å; D30-V33 HydrophobicContact CB-CB 3.99Å; D30-V33 HydrophobicContact CB-CG2 3.9Å; D30-V33 PolarHBondContact O-N 3.44Å; D30-V33 PolarHBondContact OD1-N 3.24Å; V33-Y36 PolarHBondContact O-N 3.36Å; V33-F37 HydrophobicContact CG1-CD1 4.33Å; V33-F37 HydrophobicContact CG1-CD2 3.88Å; V33-F37 HydrophobicContact CG1-CE1 3.93Å; V33-F37 HydrophobicContact CG1-CE2 3.43Å; V33-F37 VanDerWaalsContact CG1-CE2 3.43Å; V33-F37 HydrophobicContact CG1-CG 4.31Å; V33-F37 HydrophobicContact CG1-CZ 3.46Å; V33-F37 VanDerWaalsContact CG1-CZ 3.46Å; V33-F37 WeakPolarHBondContact O-CG 3.39Å; V33-F37 PolarHBondContact O-N 3.36Å; V33-T183 HydrophobicContact CG1-CG2 3.92Å; V33-T183 HydrophobicContact CG2-CG2 4.38Å; V33-K186 HydrophobicContact CG2-CD 3.4Å
34	N	97	Very high	97.3	Very high	28 Å²	28	51.8 Å²	51.8	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-42.3	175.8	-81.7	-68.4	0	0	0	112.7	L28 D30 K31 Q32 Y36 F37 I38 K43	L28-N34 PolarHBondContact O-ND2 3.01Å; L28-N34 PolarHBondContact O-OD1 3.45Å; D30-N34 PolarHBondContact O-N 2.94Å; D30-N34 PolarHBondContact O-ND2 2.92Å; K31-N34 PolarHBondContact O-N 2.88Å; Q32-N34 VanDerWaalsContact C-N 3.31Å; Q32-N34 PolarHBondContact O-N 3.18Å; N34-Y36 VanDerWaalsContact C-N 3.29Å; N34-Y36 PolarHBondContact O-N 3.26Å; N34-F37 PolarHBondContact O-N 3.02Å; N34-I38 WeakPolarHBondContact O-CG1 3.39Å; N34-I38 PolarHBondContact O-N 3.37Å; N34-K43 PolarHBondContact OD1-NZ 3.04Å
35	E	97.6	Very high	97.4	Very high	105 Å²	105	46.8 Å²	46.8	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-58.1	-43.2	174.2	-73.2	169.6	-173	0	0	111.1	K31 Q32 I38 K39	K31-E35 WeakPolarHBondContact CE-OE1 3.21Å; K31-E35 WeakPolarHBondContact O-CG 3.32Å; K31-E35 PolarHBondContact O-N 3.14Å; Q32-E35 PolarHBondContact O-N 3.34Å; E35-I38 PolarHBondContact O-N 2.82Å; E35-K39 WeakPolarHBondContact O-CB 3.25Å; E35-K39 PolarHBondContact O-N 3.38Å
36	Y	98.4	Very high	97.4	Very high	44 Å²	44	46.7 Å²	46.7	17%	0.173	24%	0.241	C	C	.	.	H	α-helix	trans	-67.8	-38.2	174.2	-72.1	-50.7	0	0	0	113.2	Q32 V33 N34 I38 K39 W40 P179	Q32-Y36 HydrophobicContact CG-CD2 4.04Å; Q32-Y36 HydrophobicContact CG-CE2 3.58Å; Q32-Y36 WeakPolarHBondContact O-CD2 3.47Å; Q32-Y36 PolarHBondContact O-N 3.12Å; Q32-Y36 VanDerWaalsContact O-N 3.07Å; V33-Y36 PolarHBondContact O-N 3.36Å; N34-Y36 VanDerWaalsContact C-N 3.29Å; N34-Y36 PolarHBondContact O-N 3.26Å; Y36-I38 VanDerWaalsContact C-N 3.3Å; Y36-I38 PolarHBondContact O-N 2.9Å; Y36-K39 CarbonylContact O-C 3.57Å; Y36-K39 PolarHBondContact O-N 3.12Å; Y36-W40 AromaticContact CD1-CE2 3.9Å; Y36-W40 HydrophobicContact CD1-CH2 4.2Å; Y36-W40 AromaticContact CD1-CZ2 3.55Å; Y36-W40 HydrophobicContact CD1-CZ2 3.55Å; Y36-W40 HydrophobicContact CD2-CH2 4.18Å; Y36-W40 HydrophobicContact CD2-CZ2 4.33Å; Y36-W40 HydrophobicContact CE1-CZ2 4.32Å; Y36-W40 AromaticContact CG-CH2 3.76Å; Y36-W40 HydrophobicContact CG-CH2 3.76Å; Y36-W40 AromaticContact CG-CZ2 3.6Å; Y36-W40 HydrophobicContact CG-CZ2 3.6Å; Y36-W40 HydrophobicContact CG-CZ3 4.36Å; Y36-W40 VanDerWaalsContact O-CB 3.29Å; Y36-W40 WeakPolarHBondContact O-CB 3.47Å; Y36-W40 VanDerWaalsContact O-CD2 3.31Å; Y36-W40 PolarHBondContact O-N 3.17Å; Y36-P179 HydrophobicContact CD1-CB 4.38Å; Y36-P179 HydrophobicContact CE1-CB 3.78Å; Y36-P179 HydrophobicContact CE1-CG 4.2Å; Y36-P179 HydrophobicContact CE2-CB 3.93Å
37	F	98.4	Very high	97.4	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-33.1	175.6	-72.9	-18.1	0	0	0	112.9	F27 L28 V33 N34 W40 S41 M42 K43 L46 I164 T183 I187	F27-F37 HydrophobicContact CD2-CE2 4.06Å; F27-F37 HydrophobicContact CD2-CZ 4.1Å; F27-F37 HydrophobicContact CE2-CE2 4.14Å; F27-F37 HydrophobicContact CE2-CZ 4.17Å; L28-F37 HydrophobicContact CD2-CE2 4.2Å; V33-F37 HydrophobicContact CG1-CD1 4.33Å; V33-F37 HydrophobicContact CG1-CD2 3.88Å; V33-F37 HydrophobicContact CG1-CE1 3.93Å; V33-F37 HydrophobicContact CG1-CE2 3.43Å; V33-F37 VanDerWaalsContact CG1-CE2 3.43Å; V33-F37 HydrophobicContact CG1-CG 4.31Å; V33-F37 HydrophobicContact CG1-CZ 3.46Å; V33-F37 VanDerWaalsContact CG1-CZ 3.46Å; V33-F37 WeakPolarHBondContact O-CG 3.39Å; V33-F37 PolarHBondContact O-N 3.36Å; N34-F37 PolarHBondContact O-N 3.02Å; F37-W40 HydrophobicContact CD1-CE3 4.36Å; F37-S41 PolarHBondContact O-N 3.25Å; F37-S41 VanDerWaalsContact O-N 3.15Å; F37-M42 HydrophobicContact CB-CB 4.41Å; F37-M42 HydrophobicContact CD1-CB 4.19Å; F37-M42 HydrophobicContact CG-CB 4.46Å; F37-M42 PolarHBondContact O-N 3.07Å; F37-K43 HydrophobicContact CB-CB 4.13Å; F37-K43 PolarHBondContact O-N 2.97Å; F37-L46 HydrophobicContact CE1-CD2 3.86Å; F37-L46 HydrophobicContact CE2-CD2 3.9Å; F37-L46 HydrophobicContact CZ-CD2 3.43Å; F37-L46 VanDerWaalsContact CZ-CD2 3.43Å; F37-I164 HydrophobicContact CE1-CD1 4.03Å; F37-T183 HydrophobicContact CE1-CG2 3.92Å; F37-T183 HydrophobicContact CZ-CG2 4.34Å; F37-I187 HydrophobicContact CE1-CD1 4.23Å; F37-I187 HydrophobicContact CZ-CD1 3.92Å; F37-I187 HydrophobicContact CZ-CG1 4.44Å
38	I	97.9	Very high	97.4	Very high	54 Å²	54	47.2 Å²	47.2	28%	0.277	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-52.1	170.1	-68.2	166.1	0	0	0	109.1	N34 E35 Y36 W40 S41 K43	N34-I38 WeakPolarHBondContact O-CG1 3.39Å; N34-I38 PolarHBondContact O-N 3.37Å; E35-I38 PolarHBondContact O-N 2.82Å; Y36-I38 VanDerWaalsContact C-N 3.3Å; Y36-I38 PolarHBondContact O-N 2.9Å; I38-W40 VanDerWaalsContact C-N 3.31Å; I38-W40 PolarHBondContact O-N 2.81Å; I38-S41 PolarHBondContact O-N 3.04Å; I38-K43 HydrophobicContact CG1-CB 3.96Å; I38-K43 HydrophobicContact CG1-CG 4.02Å
39	K	97.6	Very high	97.5	Very high	65 Å²	65	45.4 Å²	45.4	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-38.7	-178	-172.8	171.5	168.9	-167	0	112.9	E35 Y36 S41 Q172 E174	E35-K39 WeakPolarHBondContact O-CB 3.25Å; E35-K39 PolarHBondContact O-N 3.38Å; Y36-K39 CarbonylContact O-C 3.57Å; Y36-K39 PolarHBondContact O-N 3.12Å; K39-S41 VanDerWaalsContact C-N 3.29Å; K39-Q172 HydrophobicContact CD-CB 4.41Å; K39-Q172 WeakPolarHBondContact CE-O 3.27Å; K39-Q172 HydrophobicContact CG-CB 3.64Å; K39-Q172 WeakPolarHBondContact O-CB 3.12Å; K39-Q172 PolarHBondContact O-N 2.87Å; K39-E174 WeakPolarHBondContact CD-OE1 3.44Å; K39-E174 WeakPolarHBondContact CE-OE1 3.4Å; K39-E174 IonicContact NZ-OE1 2.82Å; K39-E174 PolarHBondContact NZ-OE1 3.32Å; K39-E174 IonicContact NZ-OE2 2.7Å; K39-E174 PolarHBondContact NZ-OE2 3.49Å
40	W	98.1	Very high	97.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	7.2	178.5	-53.2	-24.5	0	0	0	112.9	Y36 F37 I38 M42 I164 G167 G168 Q172 E174 P179 Y180 T183	Y36-W40 AromaticContact CD1-CE2 3.9Å; Y36-W40 HydrophobicContact CD1-CH2 4.2Å; Y36-W40 AromaticContact CD1-CZ2 3.55Å; Y36-W40 HydrophobicContact CD1-CZ2 3.55Å; Y36-W40 HydrophobicContact CD2-CH2 4.18Å; Y36-W40 HydrophobicContact CD2-CZ2 4.33Å; Y36-W40 HydrophobicContact CE1-CZ2 4.32Å; Y36-W40 AromaticContact CG-CH2 3.76Å; Y36-W40 HydrophobicContact CG-CH2 3.76Å; Y36-W40 AromaticContact CG-CZ2 3.6Å; Y36-W40 HydrophobicContact CG-CZ2 3.6Å; Y36-W40 HydrophobicContact CG-CZ3 4.36Å; Y36-W40 VanDerWaalsContact O-CB 3.29Å; Y36-W40 WeakPolarHBondContact O-CB 3.47Å; Y36-W40 VanDerWaalsContact O-CD2 3.31Å; Y36-W40 PolarHBondContact O-N 3.17Å; F37-W40 HydrophobicContact CD1-CE3 4.36Å; I38-W40 VanDerWaalsContact C-N 3.31Å; I38-W40 PolarHBondContact O-N 2.81Å; W40-M42 VanDerWaalsContact C-N 3.27Å; W40-M42 HydrophobicContact CB-CG 4.27Å; W40-M42 WeakPolarHBondContact O-CG 3.44Å; W40-M42 PolarHBondContact O-N 2.78Å; W40-I164 HydrophobicContact CE3-CG2 3.74Å; W40-I164 HydrophobicContact CH2-CG2 4.03Å; W40-I164 HydrophobicContact CZ3-CG2 3.3Å; W40-G167 CarbonylContact O-C 3.45Å; W40-G167 WeakPolarHBondContact O-CA 3.41Å; W40-G168 PolarHBondContact O-N 2.66Å; W40-Q172 VanDerWaalsContact CD1-O 3.31Å; W40-E174 HydrophobicContact CZ2-CG 3.97Å; W40-E174 PolarHBondContact NE1-OE1 2.67Å; W40-P179 HydrophobicContact CH2-CB 4.42Å; W40-P179 HydrophobicContact CZ2-CB 4.01Å; W40-Y180 HydrophobicContact CD2-CE1 4.24Å; W40-Y180 AromaticContact CE2-CD1 3.97Å; W40-Y180 AromaticContact CE2-CE1 3.67Å; W40-Y180 AromaticContact CH2-CD1 3.76Å; W40-Y180 HydrophobicContact CH2-CD1 3.76Å; W40-Y180 HydrophobicContact CH2-CE1 4.32Å; W40-Y180 AromaticContact CZ2-CD1 3.58Å; W40-Y180 HydrophobicContact CZ2-CD1 3.58Å; W40-Y180 AromaticContact CZ2-CE1 3.73Å; W40-Y180 HydrophobicContact CZ2-CE1 3.73Å; W40-Y180 HydrophobicContact CZ2-CG 4.4Å; W40-Y180 HydrophobicContact CZ3-CD1 4.32Å; W40-Y180 AromaticContact NE1-CE1 3.91Å; W40-T183 HydrophobicContact CH2-CG2 4.36Å; W40-T183 HydrophobicContact CZ3-CG2 3.78Å
41	S	97.7	Very high	97.7	Very high	2 Å²	2	39 Å²	39	1%	0.014	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	32.4	178	-154.1	0	0	0	0	114.6	F37 I38 K39 I170 G255	F37-S41 PolarHBondContact O-N 3.25Å; F37-S41 VanDerWaalsContact O-N 3.15Å; I38-S41 PolarHBondContact O-N 3.04Å; K39-S41 VanDerWaalsContact C-N 3.29Å; S41-I170 WeakPolarHBondContact OG-CG1 3.41Å; S41-G255 PolarHBondContact O-N 3.18Å; S41-G255 PolarHBondContact OG-N 2.79Å
42	M	98.3	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.			trans	-106	-13.2	178.8	-58.8	-168.9	81.3	0	0	113.4	F37 W40 G44 R45 L46 I164	F37-M42 HydrophobicContact CB-CB 4.41Å; F37-M42 HydrophobicContact CD1-CB 4.19Å; F37-M42 HydrophobicContact CG-CB 4.46Å; F37-M42 PolarHBondContact O-N 3.07Å; W40-M42 VanDerWaalsContact C-N 3.27Å; W40-M42 HydrophobicContact CB-CG 4.27Å; W40-M42 WeakPolarHBondContact O-CG 3.44Å; W40-M42 PolarHBondContact O-N 2.78Å; M42-G44 PolarHBondContact O-N 2.87Å; M42-R45 PolarHBondContact O-N 2.79Å; M42-L46 HydrophobicContact CB-CB 4.48Å; M42-L46 HydrophobicContact CE-CD1 4.07Å; M42-L46 PolarHBondContact O-N 3.47Å; M42-I164 HydrophobicContact CE-CD1 4.07Å; M42-I164 HydrophobicContact SD-CD1 3.79Å
43	K	97.7	Very high	97.5	Very high	56 Å²	56	30 Å²	30	24%	0.243	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	132.2	178.2	-176.3	67	178.9	176.5	0	110.3	N34 F37 I38 R45 G255 E256	N34-K43 PolarHBondContact OD1-NZ 3.04Å; F37-K43 HydrophobicContact CB-CB 4.13Å; F37-K43 PolarHBondContact O-N 2.97Å; I38-K43 HydrophobicContact CG1-CB 3.96Å; I38-K43 HydrophobicContact CG1-CG 4.02Å; K43-R45 PolarHBondContact O-N 2.97Å; K43-R45 VanDerWaalsContact O-N 3.15Å; K43-G255 VanDerWaalsContact O-CA 3.31Å; K43-G255 WeakPolarHBondContact O-CA 3.29Å; K43-E256 HydrophobicContact CB-CB 4.26Å; K43-E256 HydrophobicContact CG-CB 3.9Å; K43-E256 PolarHBondContact O-N 3.48Å
44	G	96.1	Very high	97.1	Very high	34 Å²	34	34.3 Å²	34.3	35%	0.351	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-12.3	-174.5	0	0	0	0	0	114.8	M42 E256	M42-G44 PolarHBondContact O-N 2.87Å; G44-E256 WeakPolarHBondContact CA-OE1 3.12Å
45	R	97.1	Very high	96.6	Very high	64 Å²	64	38.2 Å²	38.2	24%	0.242	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-25.8	-177.9	-52.1	-62.7	-106.8	112.2	3.9	112.7	M42 K43 N47 H250 I251 F252 G253 C254	M42-R45 PolarHBondContact O-N 2.79Å; K43-R45 PolarHBondContact O-N 2.97Å; K43-R45 VanDerWaalsContact O-N 3.15Å; R45-N47 PolarHBondContact O-ND2 2.8Å; R45-H250 WeakPolarHBondContact O-CA 3.3Å; R45-I251 VanDerWaalsContact NH1-CB 3.26Å; R45-I251 PolarHBondContact NH1-O 2.58Å; R45-I251 PolarHBondContact O-N 2.95Å; R45-F252 PolarHBondContact NH2-O 2.8Å; R45-G253 VanDerWaalsContact NH2-CA 3.32Å; R45-C254 PolarHBondContact NE-O 3.15Å; R45-C254 VanDerWaalsContact NE-O 3.12Å
46	L	98.2	Very high	96.1	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.052	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119	173.9	-167.8	70.2	0	0	0	110.6	F37 M42 F233 F248 H250	F37-L46 HydrophobicContact CE1-CD2 3.86Å; F37-L46 HydrophobicContact CE2-CD2 3.9Å; F37-L46 HydrophobicContact CZ-CD2 3.43Å; F37-L46 VanDerWaalsContact CZ-CD2 3.43Å; M42-L46 HydrophobicContact CB-CB 4.48Å; M42-L46 HydrophobicContact CE-CD1 4.07Å; M42-L46 PolarHBondContact O-N 3.47Å; L46-F233 HydrophobicContact CD1-CE2 4.36Å; L46-F233 HydrophobicContact CD1-CZ 3.93Å; L46-F248 HydrophobicContact CD1-CD2 4.33Å; L46-F248 HydrophobicContact CD1-CE1 4.41Å; L46-F248 HydrophobicContact CD1-CE2 3.46Å; L46-F248 VanDerWaalsContact CD1-CE2 3.46Å; L46-F248 HydrophobicContact CD1-CZ 3.53Å; L46-F248 HydrophobicContact CD2-CE2 3.8Å; L46-F248 HydrophobicContact CD2-CZ 4.03Å; L46-F248 HydrophobicContact CG-CE2 3.61Å; L46-F248 HydrophobicContact CG-CZ 4.07Å; L46-H250 HydrophobicContact CD1-CB 3.71Å
47	N	97.4	Very high	95.9	Very high	52 Å²	52	39.2 Å²	39.2	28%	0.278	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.1	-169.3	-70.2	-75.7	0	0	0	111.8	R45 F248 Y249	R45-N47 PolarHBondContact O-ND2 2.8Å; N47-F248 WeakPolarHBondContact O-CA 3.47Å; N47-Y249 HydrophobicContact CB-CD1 3.89Å; N47-Y249 HydrophobicContact CB-CD2 4.34Å; N47-Y249 HydrophobicContact CB-CE1 3.37Å; N47-Y249 HydrophobicContact CB-CE2 3.86Å; N47-Y249 HydrophobicContact CB-CG 4.35Å; N47-Y249 PolarHBondContact N-O 3.04Å; N47-Y249 PolarHBondContact O-N 3.18Å
48	V	98.1	Very high	95.6	Very high	29 Å²	29	41 Å²	41	18%	0.176	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	133.1	174.2	-168.3	0	0	0	0	110.1	Y25 F27 L28 L191 I246 I247 F248	Y25-V48 HydrophobicContact CD1-CG1 4.19Å; Y25-V48 HydrophobicContact CD2-CB 3.98Å; Y25-V48 HydrophobicContact CD2-CG1 3.67Å; Y25-V48 HydrophobicContact CE1-CG1 3.82Å; Y25-V48 HydrophobicContact CE2-CB 4.01Å; Y25-V48 HydrophobicContact CE2-CG1 3.26Å; Y25-V48 HydrophobicContact CG-CB 4.44Å; Y25-V48 HydrophobicContact CG-CG1 4.13Å; F27-V48 HydrophobicContact CE1-CG2 4.17Å; F27-V48 HydrophobicContact CZ-CG2 3.58Å; L28-V48 HydrophobicContact CD1-CB 4.31Å; L28-V48 HydrophobicContact CD1-CG2 4.08Å; V48-L191 HydrophobicContact CG1-CD2 4.15Å; V48-L191 HydrophobicContact CG2-CD2 4.47Å; V48-I246 HydrophobicContact CG1-CG2 3.55Å; V48-I247 CarbonylContact C-O 3.58Å; V48-I247 VanDerWaalsContact CA-O 3.24Å; V48-I247 WeakPolarHBondContact CA-O 3.41Å; V48-F248 HydrophobicContact CG2-CD2 3.72Å; V48-F248 HydrophobicContact CG2-CE2 4.33Å
49	A	97.4	Very high	95.4	Very high	20 Å²	20	40.7 Å²	40.7	17%	0.165	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.6	169.3	0	0	0	0	0	110.2	F51 I246 I247	A49-F51 HydrophobicContact CB-CE2 3.75Å; A49-F51 HydrophobicContact CB-CZ 4.29Å; A49-I246 CarbonylContact O-C 3.52Å; A49-I246 WeakPolarHBondContact O-CA 3.49Å; A49-I247 PolarHBondContact N-O 3.22Å; A49-I247 PolarHBondContact O-N 2.84Å
50	T	98.3	Very high	95.2	Very high	3 Å²	3	46 Å²	46	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.1	177.2	-42.6	0	0	0	0	109.9	I20 R23 Y25 N244 V245 I246	I20-T50 HydrophobicContact CD1-CG2 3.91Å; I20-T50 HydrophobicContact CG1-CG2 4.49Å; I20-T50 PolarHBondContact N-O 2.98Å; R23-T50 WeakPolarHBondContact CG-OG1 3.26Å; Y25-T50 PolarHBondContact OH-OG1 3.33Å; T50-N244 HydrophobicContact CG2-CB 3.97Å; T50-V245 CarbonylContact C-O 3.6Å; T50-V245 WeakPolarHBondContact CA-O 3.37Å; T50-I246 HydrophobicContact CG2-CG1 4.13Å
51	F	97.8	Very high	95	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.7	175.4	-59.7	-98.7	0	0	0	108.9	L18 I19 A49 F69 V75 A78 N244 V245 I247	L18-F51 CarbonylContact O-C 3.57Å; L18-F51 WeakPolarHBondContact O-CA 3.16Å; I19-F51 HydrophobicContact CB-CD1 3.91Å; I19-F51 HydrophobicContact CB-CE1 3.78Å; I19-F51 HydrophobicContact CD1-CE1 4.49Å; I19-F51 HydrophobicContact CG1-CD1 4.48Å; I19-F51 HydrophobicContact CG1-CE1 4.18Å; I19-F51 HydrophobicContact CG1-CZ 4.49Å; A49-F51 HydrophobicContact CB-CE2 3.75Å; A49-F51 HydrophobicContact CB-CZ 4.29Å; F51-F69 HydrophobicContact CB-CE2 3.73Å; F51-F69 HydrophobicContact CB-CZ 4.18Å; F51-F69 HydrophobicContact CD1-CE2 4.35Å; F51-F69 HydrophobicContact CD2-CE2 4.04Å; F51-F69 AromaticContact CD2-CZ 3.62Å; F51-F69 HydrophobicContact CD2-CZ 3.62Å; F51-F69 HydrophobicContact CE2-CZ 4.14Å; F51-F69 AromaticContact CG-CE2 3.78Å; F51-F69 HydrophobicContact CG-CE2 3.78Å; F51-F69 AromaticContact CG-CZ 3.87Å; F51-F69 HydrophobicContact CG-CZ 3.87Å; F51-V75 HydrophobicContact CD1-CG2 3.77Å; F51-V75 HydrophobicContact CE1-CB 4.27Å; F51-V75 HydrophobicContact CE1-CG2 3.77Å; F51-V75 HydrophobicContact CG-CG2 4.38Å; F51-V75 HydrophobicContact CZ-CG1 4.49Å; F51-V75 HydrophobicContact CZ-CG2 4.38Å; F51-A78 HydrophobicContact CE1-CB 3.88Å; F51-A78 HydrophobicContact CZ-CB 3.64Å; F51-N244 CarbonylContact O-C 3.53Å; F51-N244 WeakPolarHBondContact O-CA 3.5Å; F51-V245 PolarHBondContact N-O 2.63Å; F51-V245 PolarHBondContact O-N 2.82Å; F51-I247 HydrophobicContact CD2-CD1 4.03Å; F51-I247 HydrophobicContact CD2-CG1 4.1Å; F51-I247 HydrophobicContact CE2-CD1 3.5Å; F51-I247 HydrophobicContact CE2-CG1 3.91Å; F51-I247 HydrophobicContact CZ-CD1 4.32Å
52	T	96.5	Very high	94.9	Very high	52 Å²	52	51 Å²	51	32%	0.319	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	155.6	170	-169.9	0	0	0	0	110.4	F17 L18 R243	F17-T52 WeakPolarHBondContact CA-O 3.13Å; L18-T52 HydrophobicContact CB-CG2 4.01Å; L18-T52 PolarHBondContact N-O 2.9Å; L18-T52 VanDerWaalsContact N-O 3.11Å; L18-T52 PolarHBondContact O-N 3.18Å; T52-R243 CarbonylContact C-O 3.58Å; T52-R243 VanDerWaalsContact CA-O 3.29Å; T52-R243 WeakPolarHBondContact CA-O 3.32Å; T52-R243 PolarHBondContact OG1-O 2.91Å
53	F	94.8	Very high	94.8	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.035	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157	173	61.9	-92.2	0	0	0	113.7	G16 F17 H55 F57 F65 V238 R243 V245	G16-F53 WeakPolarHBondContact O-CA 3.19Å; G16-F53 WeakPolarHBondContact O-CB 3.39Å; F17-F53 HydrophobicContact CD1-CB 3.6Å; F17-F53 HydrophobicContact CE1-CB 3.6Å; F17-F53 HydrophobicContact CE1-CG 4.23Å; F53-H55 WeakPolarHBondContact CD2-O 3.29Å; F53-H55 WeakPolarHBondContact CE2-O 3.16Å; F53-F57 HydrophobicContact CE2-CB 3.98Å; F53-F57 HydrophobicContact CZ-CB 3.9Å; F53-F65 AromaticContact CD1-CZ 3.95Å; F53-F65 HydrophobicContact CD1-CZ 3.95Å; F53-F65 HydrophobicContact CD2-CE2 4.1Å; F53-F65 HydrophobicContact CD2-CZ 4.25Å; F53-F65 HydrophobicContact CE1-CZ 4.03Å; F53-F65 HydrophobicContact CE2-CE2 4.31Å; F53-F65 HydrophobicContact CE2-CZ 4.37Å; F53-F65 HydrophobicContact CG-CE2 4.24Å; F53-F65 HydrophobicContact CG-CZ 4.04Å; F53-F65 HydrophobicContact CZ-CZ 4.25Å; F53-V238 HydrophobicContact CE1-CG1 3.96Å; F53-V238 HydrophobicContact CZ-CG1 3.87Å; F53-R243 VanDerWaalsContact CD1-C 3.46Å; F53-R243 HydrophobicContact CD1-CB 4.47Å; F53-R243 VanDerWaalsContact CD1-O 3.26Å; F53-R243 WeakPolarHBondContact CD1-O 3.31Å; F53-R243 HydrophobicContact CD2-CB 4.12Å; F53-R243 HydrophobicContact CE1-CB 4.33Å; F53-R243 HydrophobicContact CE2-CB 3.93Å; F53-R243 HydrophobicContact CE2-CG 4.26Å; F53-R243 HydrophobicContact CG-CB 4.39Å; F53-R243 HydrophobicContact CZ-CB 4.05Å; F53-R243 PolarHBondContact N-O 2.95Å; F53-R243 VanDerWaalsContact O-CB 3.24Å; F53-R243 WeakPolarHBondContact O-CB 3.2Å; F53-R243 WeakPolarHBondContact O-CD 3.49Å; F53-V245 HydrophobicContact CD1-CG2 3.78Å; F53-V245 HydrophobicContact CE1-CG2 3.84Å
54	D	89	Confident	94.7	Very high	90 Å²	90	56.7 Å²	56.7	48%	0.481	30%	0.297	S	S	.	.	S	Bend	trans	-105.4	-16.3	-174.3	64.3	-9.5	0	0	0	114	G16 R243	G16-D54 WeakPolarHBondContact CA-OD1 3.32Å; D54-R243 PolarHBondContact O-NH1 3.11Å
55	H	85.7	Confident	94.7	Very high	110 Å²	110	56.3 Å²	56.3	51%	0.509	29%	0.286	S	S	.	.	S	Bend	trans	-86.6	162	176.9	-57.8	-42.1	0	0	0	112.6	F53 F57	F53-H55 WeakPolarHBondContact CD2-O 3.29Å; F53-H55 WeakPolarHBondContact CE2-O 3.16Å; H55-F57 PolarHBondContact O-N 3.48Å
56	M	87.8	Confident	94.6	Very high	159 Å²	159	53.2 Å²	53.2	78%	0.783	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-76.5	126.6	173.7	-171.6	175.4	-165.9	0	0	109.6	V58	M56-V58 HydrophobicContact CG-CG2 4.32Å
57	F	93.5	Very high	94.5	Very high	11 Å²	11	55 Å²	55	5%	0.048	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-76.5	131.2	170	-179.7	-104	0	0	0	110.3	F53 H55 P59 A62 F65 F66 Y208 Y210 V238	F53-F57 HydrophobicContact CE2-CB 3.98Å; F53-F57 HydrophobicContact CZ-CB 3.9Å; H55-F57 PolarHBondContact O-N 3.48Å; F57-P59 HydrophobicContact CD1-CG 4.48Å; F57-P59 HydrophobicContact CE1-CB 4.37Å; F57-P59 HydrophobicContact CE1-CG 3.98Å; F57-A62 HydrophobicContact CE2-CB 4.44Å; F57-A62 HydrophobicContact CZ-CB 4.27Å; F57-F65 HydrophobicContact CB-CE2 4.49Å; F57-F65 HydrophobicContact CD2-CB 4.39Å; F57-F65 AromaticContact CD2-CD1 3.7Å; F57-F65 HydrophobicContact CD2-CD1 3.7Å; F57-F65 AromaticContact CD2-CD2 3.84Å; F57-F65 HydrophobicContact CD2-CD2 3.84Å; F57-F65 AromaticContact CD2-CE1 3.8Å; F57-F65 HydrophobicContact CD2-CE1 3.8Å; F57-F65 AromaticContact CD2-CE2 3.93Å; F57-F65 HydrophobicContact CD2-CE2 3.93Å; F57-F65 AromaticContact CD2-CG 3.71Å; F57-F65 HydrophobicContact CD2-CG 3.71Å; F57-F65 AromaticContact CD2-CZ 3.9Å; F57-F65 HydrophobicContact CD2-CZ 3.9Å; F57-F65 HydrophobicContact CE2-CB 4.32Å; F57-F65 AromaticContact CE2-CD1 3.71Å; F57-F65 HydrophobicContact CE2-CD1 3.71Å; F57-F65 HydrophobicContact CE2-CE1 4.09Å; F57-F65 AromaticContact CE2-CG 3.94Å; F57-F65 HydrophobicContact CE2-CG 3.94Å; F57-F66 HydrophobicContact CE2-CE2 4.33Å; F57-F66 HydrophobicContact CE2-CZ 4.39Å; F57-Y208 AromaticContact CD1-CD2 3.95Å; F57-Y208 HydrophobicContact CD1-CD2 3.95Å; F57-Y208 HydrophobicContact CD1-CE2 4.36Å; F57-Y208 AromaticContact CE1-CD2 3.66Å; F57-Y208 HydrophobicContact CE1-CD2 3.66Å; F57-Y208 HydrophobicContact CE1-CE2 4.31Å; F57-Y208 AromaticContact CE1-CG 3.86Å; F57-Y208 HydrophobicContact CE1-CG 3.86Å; F57-Y210 HydrophobicContact CE1-CE2 4.45Å; F57-Y210 AromaticContact CZ-CE2 3.78Å; F57-Y210 HydrophobicContact CZ-CE2 3.78Å; F57-V238 HydrophobicContact CB-CG1 3.97Å; F57-V238 HydrophobicContact CD1-CB 4.24Å; F57-V238 HydrophobicContact CD1-CG1 3.72Å; F57-V238 HydrophobicContact CD2-CG1 4.03Å; F57-V238 HydrophobicContact CD2-CG2 4.3Å; F57-V238 HydrophobicContact CE1-CB 4.21Å; F57-V238 HydrophobicContact CE1-CG1 4.2Å; F57-V238 HydrophobicContact CE1-CG2 4.32Å; F57-V238 HydrophobicContact CE2-CG1 4.48Å; F57-V238 HydrophobicContact CE2-CG2 4.01Å; F57-V238 HydrophobicContact CG-CB 4.45Å; F57-V238 HydrophobicContact CG-CG1 3.62Å; F57-V238 HydrophobicContact CZ-CB 4.42Å; F57-V238 HydrophobicContact CZ-CG2 4.02Å
58	V	92.7	Very high	94.3	Very high	41 Å²	41	54.2 Å²	54.2	25%	0.248	29%	0.29	C	S	.	.			trans	-130.2	116.1	178.1	-171.9	0	0	0	0	108.5	M56 Y60 K61	M56-V58 HydrophobicContact CG-CG2 4.32Å; V58-Y60 VanDerWaalsContact C-N 3.31Å; V58-Y60 HydrophobicContact CB-CE1 4.4Å; V58-Y60 HydrophobicContact CG1-CD1 3.41Å; V58-Y60 VanDerWaalsContact CG1-CD1 3.41Å; V58-Y60 HydrophobicContact CG1-CE1 3.1Å; V58-Y60 HydrophobicContact CG1-CG 4.31Å; V58-Y60 PolarHBondContact O-N 2.88Å; V58-Y60 VanDerWaalsContact O-N 3.14Å; V58-K61 WeakPolarHBondContact O-CA 3.39Å; V58-K61 PolarHBondContact O-N 2.92Å
59	P	93.2	Very high	94.2	Very high	48 Å²	48	52.8 Å²	52.8	31%	0.312	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-56.7	-34.9	-168.2	-30	35	0	0	0	116	F57 K61 A62 Y208	F57-P59 HydrophobicContact CD1-CG 4.48Å; F57-P59 HydrophobicContact CE1-CB 4.37Å; F57-P59 HydrophobicContact CE1-CG 3.98Å; P59-K61 PolarHBondContact O-N 3.3Å; P59-A62 VanDerWaalsContact O-CB 3.25Å; P59-A62 WeakPolarHBondContact O-CB 3.28Å; P59-A62 PolarHBondContact O-N 2.87Å; P59-Y208 HydrophobicContact CB-CD1 4.28Å; P59-Y208 HydrophobicContact CB-CE1 4.11Å; P59-Y208 HydrophobicContact CG-CD1 3.85Å; P59-Y208 HydrophobicContact CG-CD2 4.31Å; P59-Y208 HydrophobicContact CG-CE1 3.38Å; P59-Y208 HydrophobicContact CG-CE2 3.86Å; P59-Y208 HydrophobicContact CG-CG 4.29Å
60	Y	93.1	Very high	94.2	Very high	177 Å²	177	51.9 Å²	51.9	69%	0.694	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-72.6	-8.2	178	74.3	-99.5	0	0	0	113.6	V58	V58-Y60 VanDerWaalsContact C-N 3.31Å; V58-Y60 HydrophobicContact CB-CE1 4.4Å; V58-Y60 HydrophobicContact CG1-CD1 3.41Å; V58-Y60 VanDerWaalsContact CG1-CD1 3.41Å; V58-Y60 HydrophobicContact CG1-CE1 3.1Å; V58-Y60 HydrophobicContact CG1-CG 4.31Å; V58-Y60 PolarHBondContact O-N 2.88Å; V58-Y60 VanDerWaalsContact O-N 3.14Å
61	K	94.4	Very high	93.9	Very high	106 Å²	106	54.1 Å²	54.1	46%	0.461	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-108.6	20.3	173	-60.2	-170.1	174.7	179.5	0	112	V58 P59 D63 S64 F65	V58-K61 WeakPolarHBondContact O-CA 3.39Å; V58-K61 PolarHBondContact O-N 2.92Å; P59-K61 PolarHBondContact O-N 3.3Å; K61-D63 VanDerWaalsContact C-N 3.29Å; K61-D63 PolarHBondContact O-N 3.26Å; K61-S64 PolarHBondContact O-N 2.95Å; K61-S64 PolarHBondContact O-OG 2.92Å; K61-S64 VanDerWaalsContact O-OG 3.12Å; K61-F65 WeakPolarHBondContact O-CB 3.32Å; K61-F65 PolarHBondContact O-N 3.37Å
62	A	96.3	Very high	93.7	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.017	29%	0.287	C	S	.	.	H	α-helix	trans	-56.7	-42.1	-177.4	0	0	0	0	0	112	F57 P59 S64 F65 F66 I90 Y210	F57-A62 HydrophobicContact CE2-CB 4.44Å; F57-A62 HydrophobicContact CZ-CB 4.27Å; P59-A62 VanDerWaalsContact O-CB 3.25Å; P59-A62 WeakPolarHBondContact O-CB 3.28Å; P59-A62 PolarHBondContact O-N 2.87Å; A62-S64 PolarHBondContact O-N 3.32Å; A62-F65 PolarHBondContact O-N 2.8Å; A62-F66 HydrophobicContact CB-CD2 4.19Å; A62-F66 HydrophobicContact CB-CE2 4.1Å; A62-F66 WeakPolarHBondContact O-CD2 3.37Å; A62-F66 PolarHBondContact O-N 2.83Å; A62-I90 VanDerWaalsContact C-CD1 3.5Å; A62-I90 HydrophobicContact CB-CD1 3.54Å; A62-Y210 HydrophobicContact CB-CD1 4.35Å; A62-Y210 HydrophobicContact CB-CE1 3.6Å; A62-Y210 HydrophobicContact CB-CE2 4.33Å
63	D	96.8	Very high	93.6	Very high	98 Å²	98	53.9 Å²	53.9	52%	0.524	29%	0.285	S	S	.	.	H	α-helix	trans	-55.5	-55.7	178.5	-64.6	-85.6	0	0	0	112	K61 F65 F66 T67 I90	K61-D63 VanDerWaalsContact C-N 3.29Å; K61-D63 PolarHBondContact O-N 3.26Å; D63-F65 VanDerWaalsContact C-N 3.3Å; D63-F65 PolarHBondContact O-N 2.65Å; D63-F66 PolarHBondContact O-N 3.36Å; D63-T67 PolarHBondContact O-N 2.98Å; D63-T67 PolarHBondContact O-OG1 2.79Å; D63-I90 HydrophobicContact CB-CD1 4.48Å
64	S	94.2	Very high	93.5	Very high	76 Å²	76	55.4 Å²	55.4	53%	0.531	30%	0.297	S	S	.	.	H	α-helix	trans	-65.5	-35.2	-179.3	66.8	0	0	0	0	112.6	K61 A62 G68	K61-S64 PolarHBondContact O-N 2.95Å; K61-S64 PolarHBondContact O-OG 2.92Å; K61-S64 VanDerWaalsContact O-OG 3.12Å; A62-S64 PolarHBondContact O-N 3.32Å; S64-G68 PolarHBondContact O-N 3.48Å; S64-G68 VanDerWaalsContact O-N 3.12Å
65	F	95.6	Very high	93.8	Very high	26 Å²	26	51.1 Å²	51.1	11%	0.114	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-47.3	176.1	177.5	-90.7	0	0	0	110.9	F17 F53 F57 K61 A62 D63 G68 F69 V245	F17-F65 HydrophobicContact CE1-CE1 4.14Å; F17-F65 AromaticContact CE1-CE2 3.73Å; F17-F65 HydrophobicContact CE1-CE2 3.73Å; F17-F65 AromaticContact CE1-CZ 3.53Å; F17-F65 HydrophobicContact CE1-CZ 3.53Å; F17-F65 HydrophobicContact CZ-CD2 4.16Å; F17-F65 HydrophobicContact CZ-CE1 4.43Å; F17-F65 AromaticContact CZ-CE2 3.81Å; F17-F65 HydrophobicContact CZ-CE2 3.81Å; F17-F65 AromaticContact CZ-CZ 3.97Å; F17-F65 HydrophobicContact CZ-CZ 3.97Å; F53-F65 AromaticContact CD1-CZ 3.95Å; F53-F65 HydrophobicContact CD1-CZ 3.95Å; F53-F65 HydrophobicContact CD2-CE2 4.1Å; F53-F65 HydrophobicContact CD2-CZ 4.25Å; F53-F65 HydrophobicContact CE1-CZ 4.03Å; F53-F65 HydrophobicContact CE2-CE2 4.31Å; F53-F65 HydrophobicContact CE2-CZ 4.37Å; F53-F65 HydrophobicContact CG-CE2 4.24Å; F53-F65 HydrophobicContact CG-CZ 4.04Å; F53-F65 HydrophobicContact CZ-CZ 4.25Å; F57-F65 HydrophobicContact CB-CE2 4.49Å; F57-F65 HydrophobicContact CD2-CB 4.39Å; F57-F65 AromaticContact CD2-CD1 3.7Å; F57-F65 HydrophobicContact CD2-CD1 3.7Å; F57-F65 AromaticContact CD2-CD2 3.84Å; F57-F65 HydrophobicContact CD2-CD2 3.84Å; F57-F65 AromaticContact CD2-CE1 3.8Å; F57-F65 HydrophobicContact CD2-CE1 3.8Å; F57-F65 AromaticContact CD2-CE2 3.93Å; F57-F65 HydrophobicContact CD2-CE2 3.93Å; F57-F65 AromaticContact CD2-CG 3.71Å; F57-F65 HydrophobicContact CD2-CG 3.71Å; F57-F65 AromaticContact CD2-CZ 3.9Å; F57-F65 HydrophobicContact CD2-CZ 3.9Å; F57-F65 HydrophobicContact CE2-CB 4.32Å; F57-F65 AromaticContact CE2-CD1 3.71Å; F57-F65 HydrophobicContact CE2-CD1 3.71Å; F57-F65 HydrophobicContact CE2-CE1 4.09Å; F57-F65 AromaticContact CE2-CG 3.94Å; F57-F65 HydrophobicContact CE2-CG 3.94Å; K61-F65 WeakPolarHBondContact O-CB 3.32Å; K61-F65 PolarHBondContact O-N 3.37Å; A62-F65 PolarHBondContact O-N 2.8Å; D63-F65 VanDerWaalsContact C-N 3.3Å; D63-F65 PolarHBondContact O-N 2.65Å; F65-G68 PolarHBondContact O-N 2.77Å; F65-F69 WeakPolarHBondContact O-CB 3.42Å; F65-F69 PolarHBondContact O-N 3.02Å; F65-V245 HydrophobicContact CE1-CG2 3.78Å; F65-V245 HydrophobicContact CZ-CG2 3.89Å
66	F	96.8	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-76.3	-28.6	-179	-69	-60.7	0	0	0	113.3	F57 A62 D63 F69 F70 V88 I90 Y210 V236 V238 V245	F57-F66 HydrophobicContact CE2-CE2 4.33Å; F57-F66 HydrophobicContact CE2-CZ 4.39Å; A62-F66 HydrophobicContact CB-CD2 4.19Å; A62-F66 HydrophobicContact CB-CE2 4.1Å; A62-F66 WeakPolarHBondContact O-CD2 3.37Å; A62-F66 PolarHBondContact O-N 2.83Å; D63-F66 PolarHBondContact O-N 3.36Å; F66-F69 HydrophobicContact CD1-CB 4.34Å; F66-F69 HydrophobicContact CD1-CD1 4.21Å; F66-F69 HydrophobicContact CD1-CG 4.48Å; F66-F69 WeakPolarHBondContact O-CB 3.17Å; F66-F69 PolarHBondContact O-N 3.25Å; F66-F70 HydrophobicContact CB-CD2 4.38Å; F66-F70 HydrophobicContact CB-CE2 4.5Å; F66-F70 HydrophobicContact CD1-CE2 4.5Å; F66-F70 VanDerWaalsContact O-CD2 3.28Å; F66-F70 WeakPolarHBondContact O-CD2 3.36Å; F66-F70 PolarHBondContact O-N 2.62Å; F66-V88 HydrophobicContact CB-CG1 4.11Å; F66-I90 HydrophobicContact CB-CG2 4.18Å; F66-I90 HydrophobicContact CD2-CD1 3.72Å; F66-I90 HydrophobicContact CD2-CG2 3.98Å; F66-I90 HydrophobicContact CE2-CD1 4.32Å; F66-I90 HydrophobicContact CG-CG2 4.3Å; F66-Y210 HydrophobicContact CE2-CD1 4.46Å; F66-Y210 AromaticContact CE2-CD2 3.49Å; F66-Y210 HydrophobicContact CE2-CD2 3.49Å; F66-Y210 VanDerWaalsContact CE2-CD2 3.49Å; F66-Y210 AromaticContact CE2-CE2 3.83Å; F66-Y210 HydrophobicContact CE2-CE2 3.83Å; F66-Y210 AromaticContact CE2-CG 3.86Å; F66-Y210 HydrophobicContact CE2-CG 3.86Å; F66-Y210 AromaticContact CZ-CD2 3.79Å; F66-Y210 HydrophobicContact CZ-CD2 3.79Å; F66-Y210 HydrophobicContact CZ-CE2 4.22Å; F66-Y210 HydrophobicContact CZ-CG 4.47Å; F66-V236 HydrophobicContact CD1-CB 4.36Å; F66-V236 HydrophobicContact CD1-CG2 3.93Å; F66-V236 HydrophobicContact CD2-CG2 4.35Å; F66-V236 HydrophobicContact CE1-CB 3.66Å; F66-V236 HydrophobicContact CE1-CG1 4.22Å; F66-V236 HydrophobicContact CE1-CG2 3.37Å; F66-V236 HydrophobicContact CE2-CG2 3.84Å; F66-V236 HydrophobicContact CG-CG2 4.39Å; F66-V236 HydrophobicContact CZ-CB 3.96Å; F66-V236 HydrophobicContact CZ-CG2 3.3Å; F66-V238 HydrophobicContact CE1-CG2 4.08Å; F66-V238 HydrophobicContact CZ-CG2 3.52Å; F66-V245 HydrophobicContact CE1-CG1 4.23Å
67	T	95.1	Very high	94.5	Very high	47 Å²	47	43.7 Å²	43.7	29%	0.288	24%	0.241	S	C	.	.	H	α-helix	trans	-56.8	-52.6	166	-56.2	0	0	0	0	110.5	D63 F69 F70 D71	D63-T67 PolarHBondContact O-N 2.98Å; D63-T67 PolarHBondContact O-OG1 2.79Å; T67-F69 VanDerWaalsContact C-N 3.27Å; T67-F69 PolarHBondContact O-N 2.83Å; T67-F70 PolarHBondContact O-N 2.82Å; T67-D71 VanDerWaalsContact O-CB 3.31Å; T67-D71 WeakPolarHBondContact O-CB 3.48Å; T67-D71 PolarHBondContact O-N 3.5Å
68	G	93.8	Very high	94.6	Very high	35 Å²	35	44.9 Å²	44.9	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-34.9	176.9	0	0	0	0	0	113.4	S64 F65 S72	S64-G68 PolarHBondContact O-N 3.48Å; S64-G68 VanDerWaalsContact O-N 3.12Å; F65-G68 PolarHBondContact O-N 2.77Å; G68-S72 PolarHBondContact O-N 2.82Å
69	F	96	Very high	94.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-52.5	175.8	-179	-111	0	0	0	112.5	F17 F51 F65 F66 T67 D71 S72 V75 V245 I247	F17-F69 HydrophobicContact CB-CD2 4.12Å; F17-F69 HydrophobicContact CB-CE2 4.45Å; F17-F69 AromaticContact CD1-CD2 3.42Å; F17-F69 HydrophobicContact CD1-CD2 3.42Å; F17-F69 VanDerWaalsContact CD1-CD2 3.42Å; F17-F69 HydrophobicContact CD1-CE2 4.06Å; F17-F69 HydrophobicContact CD1-CG 4.47Å; F17-F69 HydrophobicContact CD2-CB 4.44Å; F17-F69 HydrophobicContact CD2-CD2 4.25Å; F17-F69 HydrophobicContact CE1-CB 4.27Å; F17-F69 AromaticContact CE1-CD2 3.77Å; F17-F69 HydrophobicContact CE1-CD2 3.77Å; F17-F69 HydrophobicContact CE1-CG 4.49Å; F17-F69 HydrophobicContact CE2-CB 4.13Å; F17-F69 AromaticContact CG-CD2 3.66Å; F17-F69 HydrophobicContact CG-CD2 3.66Å; F17-F69 HydrophobicContact CG-CE2 4.38Å; F17-F69 HydrophobicContact CZ-CB 4.03Å; F17-F69 HydrophobicContact CZ-CD2 4.32Å; F51-F69 HydrophobicContact CB-CE2 3.73Å; F51-F69 HydrophobicContact CB-CZ 4.18Å; F51-F69 HydrophobicContact CD1-CE2 4.35Å; F51-F69 HydrophobicContact CD2-CE2 4.04Å; F51-F69 AromaticContact CD2-CZ 3.62Å; F51-F69 HydrophobicContact CD2-CZ 3.62Å; F51-F69 HydrophobicContact CE2-CZ 4.14Å; F51-F69 AromaticContact CG-CE2 3.78Å; F51-F69 HydrophobicContact CG-CE2 3.78Å; F51-F69 AromaticContact CG-CZ 3.87Å; F51-F69 HydrophobicContact CG-CZ 3.87Å; F65-F69 WeakPolarHBondContact O-CB 3.42Å; F65-F69 PolarHBondContact O-N 3.02Å; F66-F69 HydrophobicContact CD1-CB 4.34Å; F66-F69 HydrophobicContact CD1-CD1 4.21Å; F66-F69 HydrophobicContact CD1-CG 4.48Å; F66-F69 WeakPolarHBondContact O-CB 3.17Å; F66-F69 PolarHBondContact O-N 3.25Å; T67-F69 VanDerWaalsContact C-N 3.27Å; T67-F69 PolarHBondContact O-N 2.83Å; F69-D71 VanDerWaalsContact C-N 3.33Å; F69-S72 WeakPolarHBondContact O-CB 3.25Å; F69-S72 PolarHBondContact O-N 3.41Å; F69-V75 HydrophobicContact CD1-CG1 4.15Å; F69-V75 HydrophobicContact CD2-CG2 3.73Å; F69-V75 HydrophobicContact CE1-CG1 3.85Å; F69-V75 HydrophobicContact CE1-CG2 4.4Å; F69-V75 HydrophobicContact CE2-CG1 4.43Å; F69-V75 HydrophobicContact CE2-CG2 3.5Å; F69-V75 HydrophobicContact CG-CG2 4.28Å; F69-V75 HydrophobicContact CZ-CG1 4.01Å; F69-V75 HydrophobicContact CZ-CG2 3.88Å; F69-V75 VanDerWaalsContact O-CB 3.24Å; F69-V75 WeakPolarHBondContact O-CB 3.21Å; F69-V75 VanDerWaalsContact O-CG2 3.25Å; F69-V75 WeakPolarHBondContact O-CG2 3.11Å; F69-V245 HydrophobicContact CE1-CG1 4Å; F69-V245 HydrophobicContact CE2-CB 4.01Å; F69-V245 HydrophobicContact CE2-CG1 4.13Å; F69-V245 HydrophobicContact CE2-CG2 4.26Å; F69-V245 HydrophobicContact CZ-CB 4.01Å; F69-V245 HydrophobicContact CZ-CG1 3.68Å; F69-I247 HydrophobicContact CE1-CD1 3.44Å; F69-I247 VanDerWaalsContact CE1-CD1 3.44Å; F69-I247 HydrophobicContact CE1-CG1 3.95Å; F69-I247 HydrophobicContact CZ-CD1 3.57Å; F69-I247 HydrophobicContact CZ-CG1 3.93Å
70	F	96.4	Very high	94.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-78.5	-15.7	-177.9	-74.6	-75.4	0	0	0	113.9	F66 T67 S72 V75 Q76 L79 I81 V88 V212 V214 F223 V236	F66-F70 HydrophobicContact CB-CD2 4.38Å; F66-F70 HydrophobicContact CB-CE2 4.5Å; F66-F70 HydrophobicContact CD1-CE2 4.5Å; F66-F70 VanDerWaalsContact O-CD2 3.28Å; F66-F70 WeakPolarHBondContact O-CD2 3.36Å; F66-F70 PolarHBondContact O-N 2.62Å; T67-F70 PolarHBondContact O-N 2.82Å; F70-S72 VanDerWaalsContact C-N 3.31Å; F70-V75 HydrophobicContact CD1-CG1 4.13Å; F70-V75 HydrophobicContact CE1-CG1 4.5Å; F70-Q76 WeakPolarHBondContact O-CG 3.31Å; F70-Q76 PolarHBondContact O-NE2 3.16Å; F70-L79 HydrophobicContact CD1-CD1 4.2Å; F70-L79 HydrophobicContact CE1-CD1 3.7Å; F70-I81 HydrophobicContact CD1-CD1 3.76Å; F70-I81 HydrophobicContact CE1-CD1 4.22Å; F70-V88 HydrophobicContact CB-CG2 3.73Å; F70-V88 HydrophobicContact CD2-CG1 3.77Å; F70-V88 HydrophobicContact CD2-CG2 3.91Å; F70-V88 HydrophobicContact CE2-CG1 4.19Å; F70-V88 HydrophobicContact CG-CG2 4.15Å; F70-V212 HydrophobicContact CD2-CG2 4.37Å; F70-V212 HydrophobicContact CE2-CB 4.47Å; F70-V212 HydrophobicContact CE2-CG1 4.38Å; F70-V212 HydrophobicContact CE2-CG2 3.6Å; F70-V212 HydrophobicContact CZ-CG1 4Å; F70-V212 HydrophobicContact CZ-CG2 3.93Å; F70-V214 HydrophobicContact CB-CG1 4.37Å; F70-V214 HydrophobicContact CB-CG2 4.44Å; F70-V214 HydrophobicContact CD1-CG2 3.61Å; F70-V214 HydrophobicContact CD2-CG2 4.05Å; F70-V214 HydrophobicContact CE1-CG2 3.74Å; F70-V214 HydrophobicContact CE2-CG2 4.22Å; F70-V214 HydrophobicContact CG-CG2 3.77Å; F70-V214 HydrophobicContact CZ-CG2 4.06Å; F70-F223 HydrophobicContact CE1-CD1 4.06Å; F70-F223 HydrophobicContact CE1-CE1 4.19Å; F70-F223 HydrophobicContact CZ-CE1 4.44Å; F70-V236 HydrophobicContact CE2-CG1 4.17Å; F70-V236 HydrophobicContact CZ-CG1 3.93Å
71	D	93.4	Very high	94.8	Very high	50 Å²	50	39.1 Å²	39.1	27%	0.267	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.8	167.9	-73.1	-12.6	0	0	0	112.6	T67 F69 T86	T67-D71 VanDerWaalsContact O-CB 3.31Å; T67-D71 WeakPolarHBondContact O-CB 3.48Å; T67-D71 PolarHBondContact O-N 3.5Å; F69-D71 VanDerWaalsContact C-N 3.33Å; D71-T86 WeakPolarHBondContact OD1-CB 3.44Å; D71-T86 PolarHBondContact OD1-N 3.19Å; D71-T86 PolarHBondContact OD1-OG1 3.4Å
72	S	93.4	Very high	94.7	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.035	23%	0.234	C	C	.	.	S	Bend	trans	-69.8	128.6	178.5	179	0	0	0	0	111.2	G68 F69 F70 S74 V75 Q76	G68-S72 PolarHBondContact O-N 2.82Å; F69-S72 WeakPolarHBondContact O-CB 3.25Å; F69-S72 PolarHBondContact O-N 3.41Å; F70-S72 VanDerWaalsContact C-N 3.31Å; S72-S74 PolarHBondContact O-N 3.16Å; S72-V75 PolarHBondContact O-N 2.81Å; S72-Q76 WeakPolarHBondContact O-CG 3.24Å; S72-Q76 PolarHBondContact O-N 2.98Å
73	P	93.2	Very high	94.4	Very high	43 Å²	43	44.4 Å²	44.4	28%	0.279	26%	0.261	S	S	.	.	H	α-helix	trans	-55.8	-36.1	176.8	-27.4	35.3	0	0	0	113.4	N14 V75 N77 Y83	N14-P73 HydrophobicContact CB-CG 4.49Å; P73-V75 VanDerWaalsContact C-N 3.34Å; P73-V75 PolarHBondContact O-N 2.91Å; P73-N77 WeakPolarHBondContact O-CB 3.38Å; P73-N77 PolarHBondContact O-N 2.6Å; P73-Y83 HydrophobicContact CB-CD1 4.42Å; P73-Y83 HydrophobicContact CB-CE1 4.01Å
74	S	92.6	Very high	93.9	Very high	39 Å²	39	41.9 Å²	41.9	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-40.7	177.8	-63.2	0	0	0	0	112.3	F17 S72 A78	F17-S74 WeakPolarHBondContact O-CB 3.35Å; F17-S74 PolarHBondContact O-OG 3.33Å; S72-S74 PolarHBondContact O-N 3.16Å; S74-A78 VanDerWaalsContact O-CB 3.3Å; S74-A78 WeakPolarHBondContact O-CB 3.4Å; S74-A78 PolarHBondContact O-N 2.84Å; S74-A78 VanDerWaalsContact O-N 3.16Å
75	V	95.2	Very high	93.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-74.6	-45.7	179.6	177.8	0	0	0	0	110.1	F17 F51 F69 F70 S72 P73 N77 A78 L79	F17-V75 HydrophobicContact CB-CG2 4.17Å; F51-V75 HydrophobicContact CD1-CG2 3.77Å; F51-V75 HydrophobicContact CE1-CB 4.27Å; F51-V75 HydrophobicContact CE1-CG2 3.77Å; F51-V75 HydrophobicContact CG-CG2 4.38Å; F51-V75 HydrophobicContact CZ-CG1 4.49Å; F51-V75 HydrophobicContact CZ-CG2 4.38Å; F69-V75 HydrophobicContact CD1-CG1 4.15Å; F69-V75 HydrophobicContact CD2-CG2 3.73Å; F69-V75 HydrophobicContact CE1-CG1 3.85Å; F69-V75 HydrophobicContact CE1-CG2 4.4Å; F69-V75 HydrophobicContact CE2-CG1 4.43Å; F69-V75 HydrophobicContact CE2-CG2 3.5Å; F69-V75 HydrophobicContact CG-CG2 4.28Å; F69-V75 HydrophobicContact CZ-CG1 4.01Å; F69-V75 HydrophobicContact CZ-CG2 3.88Å; F69-V75 VanDerWaalsContact O-CB 3.24Å; F69-V75 WeakPolarHBondContact O-CB 3.21Å; F69-V75 VanDerWaalsContact O-CG2 3.25Å; F69-V75 WeakPolarHBondContact O-CG2 3.11Å; F70-V75 HydrophobicContact CD1-CG1 4.13Å; F70-V75 HydrophobicContact CE1-CG1 4.5Å; S72-V75 PolarHBondContact O-N 2.81Å; P73-V75 VanDerWaalsContact C-N 3.34Å; P73-V75 PolarHBondContact O-N 2.91Å; V75-N77 VanDerWaalsContact C-N 3.32Å; V75-N77 PolarHBondContact O-N 2.84Å; V75-A78 PolarHBondContact O-N 3.35Å; V75-L79 HydrophobicContact CG1-CD1 3.71Å; V75-L79 HydrophobicContact CG1-CG 4.35Å; V75-L79 WeakPolarHBondContact O-CB 3.43Å; V75-L79 WeakPolarHBondContact O-CG 3.39Å; V75-L79 PolarHBondContact O-N 2.95Å
76	Q	95.4	Very high	93.7	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-44.9	177.8	-69.3	-178.2	-20.8	0	0	111.7	F70 S72 A78 L79 T80 I81 Y83 T84	F70-Q76 WeakPolarHBondContact O-CG 3.31Å; F70-Q76 PolarHBondContact O-NE2 3.16Å; S72-Q76 WeakPolarHBondContact O-CG 3.24Å; S72-Q76 PolarHBondContact O-N 2.98Å; Q76-A78 PolarHBondContact O-N 2.91Å; Q76-L79 PolarHBondContact O-N 3.41Å; Q76-T80 WeakPolarHBondContact O-CA 3.28Å; Q76-T80 PolarHBondContact O-N 2.89Å; Q76-I81 HydrophobicContact CB-CB 4.26Å; Q76-I81 HydrophobicContact CG-CB 4.23Å; Q76-I81 HydrophobicContact CG-CG2 4.22Å; Q76-I81 PolarHBondContact O-N 2.98Å; Q76-Y83 HydrophobicContact CB-CD1 4.2Å; Q76-Y83 HydrophobicContact CB-CE1 4.27Å; Q76-T84 PolarHBondContact NE2-O 2.81Å
77	N	94.3	Very high	93.7	Very high	106 Å²	106	46.7 Å²	46.7	57%	0.567	26%	0.264	S	S	*	.	H	α-helix	trans	-59.4	-48.4	174.5	-169.3	59	0	0	0	112.4	P73 V75 L79 T80 Y83	P73-N77 WeakPolarHBondContact O-CB 3.38Å; P73-N77 PolarHBondContact O-N 2.6Å; V75-N77 VanDerWaalsContact C-N 3.32Å; V75-N77 PolarHBondContact O-N 2.84Å; N77-L79 VanDerWaalsContact C-N 3.31Å; N77-L79 PolarHBondContact O-N 3.45Å; N77-T80 PolarHBondContact O-N 3.34Å; N77-Y83 WeakPolarHBondContact CB-OH 3.44Å; N77-Y83 PolarHBondContact OD1-OH 3.45Å
78	A	94.3	Very high	93.8	Very high	36 Å²	36	45.3 Å²	45.3	30%	0.298	26%	0.255	S	S	.	.	H	α-helix	trans	-67	-31.5	-176	0	0	0	0	0	113.1	I19 F51 S74 V75 Q76	I19-A78 HydrophobicContact CD1-CB 3.97Å; F51-A78 HydrophobicContact CE1-CB 3.88Å; F51-A78 HydrophobicContact CZ-CB 3.64Å; S74-A78 VanDerWaalsContact O-CB 3.3Å; S74-A78 WeakPolarHBondContact O-CB 3.4Å; S74-A78 PolarHBondContact O-N 2.84Å; S74-A78 VanDerWaalsContact O-N 3.16Å; V75-A78 PolarHBondContact O-N 3.35Å; Q76-A78 PolarHBondContact O-N 2.91Å
79	L	95.4	Very high	94	Very high	12 Å²	12	49 Å²	49	6%	0.063	26%	0.261	C	S	.	.	H	α-helix	trans	-99.5	2.9	-178.7	-59.1	179.3	0	0	0	113.5	F70 V75 Q76 N77 I81 F223 I247 Y249	F70-L79 HydrophobicContact CD1-CD1 4.2Å; F70-L79 HydrophobicContact CE1-CD1 3.7Å; V75-L79 HydrophobicContact CG1-CD1 3.71Å; V75-L79 HydrophobicContact CG1-CG 4.35Å; V75-L79 WeakPolarHBondContact O-CB 3.43Å; V75-L79 WeakPolarHBondContact O-CG 3.39Å; V75-L79 PolarHBondContact O-N 2.95Å; Q76-L79 PolarHBondContact O-N 3.41Å; N77-L79 VanDerWaalsContact C-N 3.31Å; N77-L79 PolarHBondContact O-N 3.45Å; L79-I81 HydrophobicContact CB-CD1 3.86Å; L79-I81 HydrophobicContact CB-CG1 3.85Å; L79-I81 HydrophobicContact CD1-CD1 3.89Å; L79-I81 PolarHBondContact O-N 2.85Å; L79-F223 HydrophobicContact CB-CD2 4.25Å; L79-F223 HydrophobicContact CB-CE2 4.19Å; L79-F223 HydrophobicContact CD1-CD2 4.39Å; L79-F223 HydrophobicContact CD1-CE1 4.48Å; L79-F223 HydrophobicContact CD1-CE2 4.08Å; L79-F223 HydrophobicContact CD1-CZ 4.13Å; L79-F223 HydrophobicContact CD2-CE2 4.07Å; L79-F223 HydrophobicContact CD2-CZ 4.33Å; L79-F223 HydrophobicContact CG-CE2 4.34Å; L79-I247 HydrophobicContact CD1-CD1 3.41Å; L79-I247 VanDerWaalsContact CD1-CD1 3.41Å; L79-I247 HydrophobicContact CD2-CD1 4.01Å; L79-I247 HydrophobicContact CG-CD1 4.14Å; L79-Y249 HydrophobicContact CD2-CE1 4.07Å
80	T	94.4	Very high	94.2	Very high	130 Å²	130	50 Å²	50	80%	0.798	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	33.6	-175.2	-42.2	0	0	0	0	112.3	Q76 N77	Q76-T80 WeakPolarHBondContact O-CA 3.28Å; Q76-T80 PolarHBondContact O-N 2.89Å; N77-T80 PolarHBondContact O-N 3.34Å
81	I	93.7	Very high	94.2	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.292	C	S	.	.			trans	-81.8	137.4	172.4	-61.4	171.7	0	0	0	107.6	F70 Q76 L79 T86 V222 F223	F70-I81 HydrophobicContact CD1-CD1 3.76Å; F70-I81 HydrophobicContact CE1-CD1 4.22Å; Q76-I81 HydrophobicContact CB-CB 4.26Å; Q76-I81 HydrophobicContact CG-CB 4.23Å; Q76-I81 HydrophobicContact CG-CG2 4.22Å; Q76-I81 PolarHBondContact O-N 2.98Å; L79-I81 HydrophobicContact CB-CD1 3.86Å; L79-I81 HydrophobicContact CB-CG1 3.85Å; L79-I81 HydrophobicContact CD1-CD1 3.89Å; L79-I81 PolarHBondContact O-N 2.85Å; I81-T86 HydrophobicContact CG2-CG2 4.25Å; I81-V222 HydrophobicContact CG2-CG2 3.91Å; I81-F223 HydrophobicContact CD1-CB 3.83Å; I81-F223 HydrophobicContact CD1-CD2 4.28Å; I81-F223 HydrophobicContact CD1-CG 4.06Å; I81-F223 HydrophobicContact CG1-CB 4.04Å; I81-F223 HydrophobicContact CG1-CD2 4.4Å; I81-F223 HydrophobicContact CG1-CG 4.47Å
82	P	92	Very high	94.5	Very high	68 Å²	68	57.1 Å²	57.1	44%	0.442	31%	0.312	S	S	.	.			trans	-55.4	142.2	175	-25.2	34.5	0	0	0	112.1	T84 V222	P82-T84 HydrophobicContact CB-CG2 4.29Å; P82-T84 PolarHBondContact O-N 2.91Å; P82-V222 HydrophobicContact CG-CG1 4.37Å
83	Y	89.5	Confident	94.7	Very high	150 Å²	150	57.2 Å²	57.2	59%	0.588	31%	0.312	S	S	*	.	S	Bend	trans	-71.9	74.4	176.6	-67.3	-82.4	0	0	0	111.8	P73 Q76 N77	P73-Y83 HydrophobicContact CB-CD1 4.42Å; P73-Y83 HydrophobicContact CB-CE1 4.01Å; Q76-Y83 HydrophobicContact CB-CD1 4.2Å; Q76-Y83 HydrophobicContact CB-CE1 4.27Å; N77-Y83 WeakPolarHBondContact CB-OH 3.44Å; N77-Y83 PolarHBondContact OD1-OH 3.45Å
84	T	87.5	Confident	95	Very high	45 Å²	45	60.3 Å²	60.3	28%	0.276	32%	0.318	S	S	.	.	S	Bend	trans	-140	167.8	-179.6	-168.7	0	0	0	0	110.1	Q76 P82 T86 D216	Q76-T84 PolarHBondContact NE2-O 2.81Å; P82-T84 HydrophobicContact CB-CG2 4.29Å; P82-T84 PolarHBondContact O-N 2.91Å; T84-T86 PolarHBondContact O-N 2.88Å; T84-D216 HydrophobicContact CG2-CB 4.31Å
85	K	90.8	Very high	95.2	Very high	132 Å²	132	59.2 Å²	59.2	57%	0.574	31%	0.31	S	S	*	.			trans	-67.4	132.1	170.4	-173.2	175.4	-178.2	-179.8	0	109.6	E217	K85-E217 HydrophobicContact CB-CG 4.27Å
86	T	94.1	Very high	95.3	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.031	33%	0.331	C	S	.	.			trans	-102.9	148	-176.7	65.1	0	0	0	0	112.3	D71 I81 T84 V88 V214 Y215	D71-T86 WeakPolarHBondContact OD1-CB 3.44Å; D71-T86 PolarHBondContact OD1-N 3.19Å; D71-T86 PolarHBondContact OD1-OG1 3.4Å; I81-T86 HydrophobicContact CG2-CG2 4.25Å; T84-T86 PolarHBondContact O-N 2.88Å; T86-V88 WeakPolarHBondContact OG1-CG2 3.42Å; T86-V214 VanDerWaalsContact CB-CG1 3.5Å; T86-V214 HydrophobicContact CG2-CG1 3.64Å; T86-Y215 CarbonylContact C-O 3.59Å; T86-Y215 WeakPolarHBondContact CA-O 3.15Å
87	I	97.1	Very high	95.4	Very high	67 Å²	67	64.4 Å²	64.4	34%	0.344	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	105.5	165.4	-57.3	172.4	0	0	0	106.3	Y215	I87-Y215 PolarHBondContact N-O 3.42Å; I87-Y215 PolarHBondContact O-N 3.41Å
88	V	97.7	Very high	95.5	Very high	17 Å²	17	62.4 Å²	62.4	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.9	-178	-171.7	0	0	0	0	109.4	F66 F70 T86 I90 V212 V214	F66-V88 HydrophobicContact CB-CG1 4.11Å; F70-V88 HydrophobicContact CB-CG2 3.73Å; F70-V88 HydrophobicContact CD2-CG1 3.77Å; F70-V88 HydrophobicContact CD2-CG2 3.91Å; F70-V88 HydrophobicContact CE2-CG1 4.19Å; F70-V88 HydrophobicContact CG-CG2 4.15Å; T86-V88 WeakPolarHBondContact OG1-CG2 3.42Å; V88-I90 HydrophobicContact CG1-CG2 3.89Å; V88-V212 HydrophobicContact CG1-CG2 3.68Å; V88-V214 HydrophobicContact CG2-CG1 4.38Å
89	K	98.3	Very high	95.5	Very high	113 Å²	113	64 Å²	64	49%	0.491	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124	170.7	-63	-173	-173.6	169.6	0	108.8	V212 R213 Y215	K89-V212 WeakPolarHBondContact O-CA 3.23Å; K89-R213 PolarHBondContact N-O 3.18Å; K89-R213 PolarHBondContact O-N 2.97Å; K89-Y215 HydrophobicContact CB-CE2 4.33Å; K89-Y215 HydrophobicContact CD-CD2 4.3Å; K89-Y215 HydrophobicContact CD-CE2 3.67Å; K89-Y215 HydrophobicContact CG-CD2 4.29Å; K89-Y215 HydrophobicContact CG-CE2 3.97Å
90	I	98.4	Very high	95.6	Very high	20 Å²	20	65.3 Å²	65.3	10%	0.103	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149	177	65.6	178	0	0	0	111.3	A62 D63 F66 V88 Y210 E211 V212	A62-I90 VanDerWaalsContact C-CD1 3.5Å; A62-I90 HydrophobicContact CB-CD1 3.54Å; D63-I90 HydrophobicContact CB-CD1 4.48Å; F66-I90 HydrophobicContact CB-CG2 4.18Å; F66-I90 HydrophobicContact CD2-CD1 3.72Å; F66-I90 HydrophobicContact CD2-CG2 3.98Å; F66-I90 HydrophobicContact CE2-CD1 4.32Å; F66-I90 HydrophobicContact CG-CG2 4.3Å; V88-I90 HydrophobicContact CG1-CG2 3.89Å; I90-Y210 HydrophobicContact CB-CD1 4.48Å; I90-Y210 HydrophobicContact CD1-CD1 4.03Å; I90-Y210 HydrophobicContact CD1-CE1 4.37Å; I90-Y210 HydrophobicContact CG1-CD1 4.47Å; I90-E211 CarbonylContact C-O 3.46Å; I90-E211 VanDerWaalsContact CA-O 3.22Å; I90-E211 WeakPolarHBondContact CA-O 3.36Å; I90-V212 HydrophobicContact CG2-CB 4.24Å; I90-V212 HydrophobicContact CG2-CG2 3.97Å
91	N	98.3	Very high	95.8	Very high	104 Å²	104	62.6 Å²	62.6	56%	0.556	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.3	167.8	-68.5	-42.9	0	0	0	108.9	V93 Y210 E211	N91-V93 PolarHBondContact O-N 3.02Å; N91-Y210 CarbonylContact O-C 3.45Å; N91-Y210 VanDerWaalsContact O-CA 3.22Å; N91-Y210 WeakPolarHBondContact O-CA 3.28Å; N91-E211 PolarHBondContact N-O 3.16Å; N91-E211 PolarHBondContact O-N 3.27Å
92	S	98.2	Very high	95.9	Very high	97 Å²	97	63.1 Å²	63.1	68%	0.678	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	130.6	173.5	-175.7	0	0	0	0	109.7
93	V	98.7	Very high	96.2	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.3	177.9	-175.7	0	0	0	0	108.5	N91 C95 F156 V209 E211 Y235	N91-V93 PolarHBondContact O-N 3.02Å; V93-C95 PolarHBondContact O-N 3.15Å; V93-F156 HydrophobicContact CG1-CB 3.82Å; V93-F156 HydrophobicContact CG1-CD2 4.31Å; V93-V209 HydrophobicContact CB-CB 4.11Å; V93-V209 HydrophobicContact CB-CG1 3.94Å; V93-V209 HydrophobicContact CG1-CG1 4.39Å; V93-V209 HydrophobicContact CG2-CG1 4.34Å; V93-V209 PolarHBondContact N-O 2.91Å; V93-E211 HydrophobicContact CG2-CB 3.97Å; V93-E211 VanDerWaalsContact CG2-N 3.34Å; V93-Y235 HydrophobicContact CG2-CD1 4.19Å; V93-Y235 HydrophobicContact CG2-CE1 4.02Å
94	R	98.4	Very high	96.5	Very high	109 Å²	109	61.5 Å²	61.5	41%	0.411	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-62.2	130.3	177.1	-169.7	-178.5	172.1	79.7	14.7	108.8	T96 E154 E155 F156	R94-T96 HydrophobicContact CG-CG2 4.11Å; R94-T96 PolarHBondContact NH2-OG1 3.06Å; R94-T96 VanDerWaalsContact NH2-OG1 3.16Å; R94-E154 HydrophobicContact CB-CB 4.09Å; R94-E154 PolarHBondContact N-O 3.01Å; R94-E155 WeakPolarHBondContact CD-OE1 3.48Å; R94-E155 HydrophobicContact CG-CG 4.47Å; R94-E155 WeakPolarHBondContact CG-OE1 3.17Å; R94-E155 IonicContact CZ-OE1 3.69Å; R94-E155 IonicContact NE-OE1 3.34Å; R94-E155 PolarHBondContact NE-OE1 3.44Å; R94-E155 IonicContact NH2-OE1 3.86Å; R94-E155 CarbonylContact O-C 3.6Å; R94-E155 VanDerWaalsContact O-CA 3.3Å; R94-E155 WeakPolarHBondContact O-CA 3.19Å; R94-F156 PolarHBondContact O-N 3.05Å
95	C	98.4	Very high	97	Very high	16 Å²	16	62.8 Å²	62.8	11%	0.108	32%	0.315	C	S	.	.			trans	-144.5	83.4	179.3	-164.8	0	0	0	0	108.6	V93 E155 F156 Y188 I205 V209	V93-C95 PolarHBondContact O-N 3.15Å; C95-E155 WeakPolarHBondContact CA-OE2 3.27Å; C95-F156 HydrophobicContact CB-CB 4.2Å; C95-Y188 PolarHBondContact SG-OH 2.64Å; C95-I205 VanDerWaalsContact O-CD1 3.29Å; C95-I205 WeakPolarHBondContact O-CD1 3.27Å; C95-V209 HydrophobicContact CB-CB 4.37Å; C95-V209 HydrophobicContact CB-CG2 3.78Å
96	T	96.9	Very high	97.4	Very high	71 Å²	71	56.7 Å²	56.7	44%	0.436	29%	0.288	S	S	.	.			trans	-122.4	-12.8	-174.2	73.1	0	0	0	0	114.1	R94 T98 E155	R94-T96 HydrophobicContact CG-CG2 4.11Å; R94-T96 PolarHBondContact NH2-OG1 3.06Å; R94-T96 VanDerWaalsContact NH2-OG1 3.16Å; T96-T98 PolarHBondContact O-N 2.99Å; T96-E155 PolarHBondContact N-OE2 2.88Å; T96-E155 PolarHBondContact OG1-OE1 3.11Å
97	L	97.7	Very high	97.5	Very high	44 Å²	44	60.3 Å²	60.3	23%	0.23	31%	0.314	C	S	.	.			trans	-82.7	112.9	-176.9	-60.7	-179.5	0	0	0	112.9	N99 A102 E155 L157 Y188	L97-N99 VanDerWaalsContact C-N 3.32Å; L97-A102 HydrophobicContact CD1-CB 3.87Å; L97-E155 HydrophobicContact CD1-CB 4.1Å; L97-E155 HydrophobicContact CD1-CG 3.84Å; L97-E155 HydrophobicContact CG-CG 4Å; L97-L157 HydrophobicContact CB-CD2 4.08Å; L97-L157 HydrophobicContact CD1-CB 4.37Å; L97-L157 HydrophobicContact CD1-CD2 3.94Å; L97-Y188 WeakPolarHBondContact O-CE1 3.34Å; L97-Y188 PolarHBondContact O-OH 3.38Å
98	T	95.8	Very high	97.5	Very high	65 Å²	65	60.3 Å²	60.3	40%	0.399	32%	0.32	S	S	.	.	S	Bend	trans	-87.2	-1.5	176.3	53.8	0	0	0	0	113.8	T96 V194 I203 I205	T96-T98 PolarHBondContact O-N 2.99Å; T98-V194 HydrophobicContact CG2-CG1 4.27Å; T98-I203 HydrophobicContact CG2-CG2 4.08Å; T98-I205 HydrophobicContact CG2-CD1 4.47Å; T98-I205 HydrophobicContact CG2-CG1 3.98Å
99	N	95.2	Very high	97.5	Very high	70 Å²	70	59.6 Å²	59.6	37%	0.374	32%	0.315	S	S	.	.	S	Bend	trans	-145.9	178.9	-179.6	70	42.6	0	0	0	110.7	L97 D101 L157	L97-N99 VanDerWaalsContact C-N 3.32Å; N99-D101 PolarHBondContact ND2-OD2 3.4Å; N99-D101 WeakPolarHBondContact OD1-CB 3.21Å; N99-D101 VanDerWaalsContact OD1-CG 3.25Å; N99-D101 PolarHBondContact OD1-N 3.39Å; N99-D101 PolarHBondContact OD1-OD2 3.46Å; N99-L157 VanDerWaalsContact O-CD2 3.3Å; N99-L157 WeakPolarHBondContact O-CD2 3.43Å
100	L	97.3	Very high	97.5	Very high	39 Å²	39	54.9 Å²	54.9	20%	0.204	30%	0.296	C	S	.	.	S	Bend	trans	-99.7	15.3	-176	-53.4	-179.7	0	0	0	113.5	A102 F103 L157 I181 R185	L100-A102 PolarHBondContact O-N 3.13Å; L100-A102 VanDerWaalsContact O-N 3.13Å; L100-F103 HydrophobicContact CB-CD2 4.04Å; L100-F103 HydrophobicContact CD2-CD2 4.33Å; L100-F103 HydrophobicContact CD2-CE2 4.01Å; L100-F103 WeakPolarHBondContact O-CB 3.29Å; L100-F103 PolarHBondContact O-N 3.19Å; L100-L157 HydrophobicContact CD2-CD1 3.6Å; L100-L157 HydrophobicContact CD2-CD2 3.72Å; L100-L157 HydrophobicContact CD2-CG 4.26Å; L100-I181 HydrophobicContact CD1-CG2 4.01Å; L100-R185 HydrophobicContact CD1-CB 3.64Å; L100-R185 HydrophobicContact CD1-CG 3.76Å
101	D	97.3	Very high	97.5	Very high	72 Å²	72	58.8 Å²	58.8	39%	0.385	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-63.4	-24.9	-171.1	-71.8	-25.1	0	0	0	112.9	N99 F103 R104	N99-D101 PolarHBondContact ND2-OD2 3.4Å; N99-D101 WeakPolarHBondContact OD1-CB 3.21Å; N99-D101 VanDerWaalsContact OD1-CG 3.25Å; N99-D101 PolarHBondContact OD1-N 3.39Å; N99-D101 PolarHBondContact OD1-OD2 3.46Å; D101-F103 PolarHBondContact O-N 2.96Å; D101-R104 VanDerWaalsContact CG-NH2 3.27Å; D101-R104 VanDerWaalsContact O-CB 3.3Å; D101-R104 WeakPolarHBondContact O-CB 3.3Å; D101-R104 VanDerWaalsContact O-CG 3.27Å; D101-R104 WeakPolarHBondContact O-CG 3.19Å; D101-R104 PolarHBondContact O-N 3.28Å; D101-R104 IonicContact OD1-CZ 3.83Å; D101-R104 IonicContact OD1-NE 2.67Å; D101-R104 PolarHBondContact OD1-NE 3.2Å; D101-R104 VanDerWaalsContact OD1-NE 3.13Å; D101-R104 IonicContact OD1-NH2 3.49Å; D101-R104 PolarHBondContact OD1-NH2 2.98Å; D101-R104 IonicContact OD2-NH2 3.55Å; D101-R104 PolarHBondContact OD2-NH2 2.78Å
102	A	95.8	Very high	97.4	Very high	16 Å²	16	63.9 Å²	63.9	13%	0.132	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-55.4	-32.4	172	0	0	0	0	0	112.3	L97 L100 R104 K105 F148	L97-A102 HydrophobicContact CD1-CB 3.87Å; L100-A102 PolarHBondContact O-N 3.13Å; L100-A102 VanDerWaalsContact O-N 3.13Å; A102-R104 PolarHBondContact O-N 2.87Å; A102-K105 PolarHBondContact O-N 2.86Å; A102-F148 WeakPolarHBondContact O-CE1 3.47Å
103	F	97.9	Very high	97.3	Very high	9 Å²	9	63.7 Å²	63.7	4%	0.039	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-75	-6.7	179.6	-61.2	-26.7	0	0	0	114.1	L100 D101 K105 L106 L157 F161 I181 V184	L100-F103 HydrophobicContact CB-CD2 4.04Å; L100-F103 HydrophobicContact CD2-CD2 4.33Å; L100-F103 HydrophobicContact CD2-CE2 4.01Å; L100-F103 WeakPolarHBondContact O-CB 3.29Å; L100-F103 PolarHBondContact O-N 3.19Å; D101-F103 PolarHBondContact O-N 2.96Å; F103-K105 PolarHBondContact O-N 3.27Å; F103-L106 HydrophobicContact CB-CD1 3.88Å; F103-L106 HydrophobicContact CD1-CD1 4.26Å; F103-L106 HydrophobicContact CG-CD1 4.22Å; F103-L106 VanDerWaalsContact O-CB 3.27Å; F103-L106 WeakPolarHBondContact O-CB 3.4Å; F103-L106 WeakPolarHBondContact O-CG 3.38Å; F103-L106 PolarHBondContact O-N 2.74Å; F103-L157 HydrophobicContact CE1-CG 4.41Å; F103-L157 HydrophobicContact CE2-CD1 4.01Å; F103-L157 HydrophobicContact CE2-CD2 4.33Å; F103-L157 HydrophobicContact CE2-CG 4.08Å; F103-L157 HydrophobicContact CZ-CD1 3.92Å; F103-L157 HydrophobicContact CZ-CD2 4.18Å; F103-L157 HydrophobicContact CZ-CG 3.64Å; F103-F161 HydrophobicContact CD2-CD2 4.49Å; F103-F161 HydrophobicContact CE1-CB 3.79Å; F103-F161 HydrophobicContact CE1-CD1 4.17Å; F103-F161 HydrophobicContact CE1-CD2 4.22Å; F103-F161 AromaticContact CE1-CG 3.8Å; F103-F161 HydrophobicContact CE1-CG 3.8Å; F103-F161 HydrophobicContact CE2-CB 4.3Å; F103-F161 HydrophobicContact CE2-CD2 4.01Å; F103-F161 HydrophobicContact CE2-CG 4.31Å; F103-F161 HydrophobicContact CZ-CB 3.43Å; F103-F161 VanDerWaalsContact CZ-CB 3.43Å; F103-F161 AromaticContact CZ-CD2 3.87Å; F103-F161 HydrophobicContact CZ-CD2 3.87Å; F103-F161 AromaticContact CZ-CG 3.7Å; F103-F161 HydrophobicContact CZ-CG 3.7Å; F103-I181 HydrophobicContact CB-CD1 4.24Å; F103-I181 HydrophobicContact CD2-CG1 4.23Å; F103-I181 HydrophobicContact CD2-CG2 4.34Å; F103-V184 HydrophobicContact CE2-CG1 4.01Å; F103-V184 HydrophobicContact CZ-CG1 4.22Å
104	R	97.1	Very high	97.2	Very high	174 Å²	174	64.2 Å²	64.2	66%	0.657	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-59.4	-29.1	170.3	-65.6	178.2	-170.5	-176.1	4.3	111.9	D101 A102 L106 S107	D101-R104 VanDerWaalsContact CG-NH2 3.27Å; D101-R104 VanDerWaalsContact O-CB 3.3Å; D101-R104 WeakPolarHBondContact O-CB 3.3Å; D101-R104 VanDerWaalsContact O-CG 3.27Å; D101-R104 WeakPolarHBondContact O-CG 3.19Å; D101-R104 PolarHBondContact O-N 3.28Å; D101-R104 IonicContact OD1-CZ 3.83Å; D101-R104 IonicContact OD1-NE 2.67Å; D101-R104 PolarHBondContact OD1-NE 3.2Å; D101-R104 VanDerWaalsContact OD1-NE 3.13Å; D101-R104 IonicContact OD1-NH2 3.49Å; D101-R104 PolarHBondContact OD1-NH2 2.98Å; D101-R104 IonicContact OD2-NH2 3.55Å; D101-R104 PolarHBondContact OD2-NH2 2.78Å; A102-R104 PolarHBondContact O-N 2.87Å; R104-L106 PolarHBondContact O-N 3.46Å; R104-L106 VanDerWaalsContact O-N 3.16Å; R104-S107 PolarHBondContact O-N 2.91Å; R104-S107 PolarHBondContact O-OG 3.26Å
105	K	97.7	Very high	97.3	Very high	73 Å²	73	64.2 Å²	64.2	32%	0.317	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-62.2	-18.6	176.2	-64.9	-177.1	163.8	-164.1	0	113.8	A102 F103 S107 S108 I147 F148 E152	A102-K105 PolarHBondContact O-N 2.86Å; F103-K105 PolarHBondContact O-N 3.27Å; K105-S107 PolarHBondContact O-N 3Å; K105-S107 VanDerWaalsContact O-N 3.14Å; K105-S108 PolarHBondContact O-N 2.72Å; K105-S108 VanDerWaalsContact O-N 3.15Å; K105-S108 PolarHBondContact O-OG 3.31Å; K105-I147 HydrophobicContact CB-CG2 3.85Å; K105-I147 WeakPolarHBondContact CD-O 3.17Å; K105-I147 PolarHBondContact NZ-O 3.48Å; K105-F148 HydrophobicContact CB-CE1 4.32Å; K105-F148 HydrophobicContact CB-CZ 4.38Å; K105-F148 HydrophobicContact CD-CD1 4.32Å; K105-F148 HydrophobicContact CD-CE1 4.43Å; K105-E152 WeakPolarHBondContact CE-OE1 3.21Å; K105-E152 IonicContact NZ-OE1 2.78Å; K105-E152 PolarHBondContact NZ-OE1 3.34Å; K105-E152 IonicContact NZ-OE2 2.78Å; K105-E152 PolarHBondContact NZ-OE2 3Å
106	L	98.1	Very high	97.3	Very high	3 Å²	3	64 Å²	64	2%	0.016	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-67.7	-8.5	176.3	-62	171.6	0	0	0	113	F103 R104 S108 V109 T110 L133 F148 F161 I177 I181	F103-L106 HydrophobicContact CB-CD1 3.88Å; F103-L106 HydrophobicContact CD1-CD1 4.26Å; F103-L106 HydrophobicContact CG-CD1 4.22Å; F103-L106 VanDerWaalsContact O-CB 3.27Å; F103-L106 WeakPolarHBondContact O-CB 3.4Å; F103-L106 WeakPolarHBondContact O-CG 3.38Å; F103-L106 PolarHBondContact O-N 2.74Å; R104-L106 PolarHBondContact O-N 3.46Å; R104-L106 VanDerWaalsContact O-N 3.16Å; L106-S108 PolarHBondContact O-N 3.18Å; L106-S108 VanDerWaalsContact O-N 3.16Å; L106-V109 HydrophobicContact CB-CG2 4.24Å; L106-V109 HydrophobicContact CD2-CG2 3.95Å; L106-V109 VanDerWaalsContact O-CG2 3.31Å; L106-V109 WeakPolarHBondContact O-CG2 3.42Å; L106-V109 PolarHBondContact O-N 2.9Å; L106-T110 WeakPolarHBondContact O-CG2 3.33Å; L106-T110 PolarHBondContact O-N 3.48Å; L106-T110 VanDerWaalsContact O-N 3.08Å; L106-T110 PolarHBondContact O-OG1 2.84Å; L106-L133 HydrophobicContact CD2-CD1 3.74Å; L106-F148 HydrophobicContact CD2-CE2 3.6Å; L106-F148 HydrophobicContact CD2-CZ 3.62Å; L106-F148 HydrophobicContact CG-CE2 4.4Å; L106-F148 HydrophobicContact CG-CZ 3.94Å; L106-F161 HydrophobicContact CD1-CE1 3.87Å; L106-F161 HydrophobicContact CD1-CE2 4.18Å; L106-F161 HydrophobicContact CD1-CZ 3.53Å; L106-F161 HydrophobicContact CD2-CE1 4.33Å; L106-I177 HydrophobicContact CD1-CD1 4.08Å; L106-I177 HydrophobicContact CD1-CG1 3.99Å; L106-I181 HydrophobicContact CD1-CD1 4.3Å
107	S	97.2	Very high	97.3	Very high	81 Å²	81	64 Å²	64	57%	0.566	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-56.7	-23.9	167.2	63.2	0	0	0	0	112.8	R104 K105 V109 T110	R104-S107 PolarHBondContact O-N 2.91Å; R104-S107 PolarHBondContact O-OG 3.26Å; K105-S107 PolarHBondContact O-N 3Å; K105-S107 VanDerWaalsContact O-N 3.14Å; S107-V109 VanDerWaalsContact C-N 3.34Å; S107-T110 WeakPolarHBondContact CA-OG1 3.33Å
108	S	97.2	Very high	97.3	Very high	68 Å²	68	67.3 Å²	67.3	48%	0.476	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-70.1	-29.4	175.4	-63	0	0	0	0	112.9	K105 L106 K117	K105-S108 PolarHBondContact O-N 2.72Å; K105-S108 VanDerWaalsContact O-N 3.15Å; K105-S108 PolarHBondContact O-OG 3.31Å; L106-S108 PolarHBondContact O-N 3.18Å; L106-S108 VanDerWaalsContact O-N 3.16Å; S108-K117 PolarHBondContact O-NZ 2.83Å
109	V	98.2	Very high	97.3	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.006	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	2.3	-179.9	-59	0	0	0	0	113.7	L106 S107 K117 K132 L133 C136 I147	L106-V109 HydrophobicContact CB-CG2 4.24Å; L106-V109 HydrophobicContact CD2-CG2 3.95Å; L106-V109 VanDerWaalsContact O-CG2 3.31Å; L106-V109 WeakPolarHBondContact O-CG2 3.42Å; L106-V109 PolarHBondContact O-N 2.9Å; S107-V109 VanDerWaalsContact C-N 3.34Å; V109-K117 WeakPolarHBondContact O-CG 3.42Å; V109-K117 PolarHBondContact O-N 3.05Å; V109-K132 HydrophobicContact CB-CB 3.9Å; V109-K132 HydrophobicContact CG1-CB 4.1Å; V109-K132 WeakPolarHBondContact CG1-O 3.39Å; V109-L133 HydrophobicContact CG2-CB 4.43Å; V109-L133 HydrophobicContact CG2-CD1 4.12Å; V109-C136 HydrophobicContact CG1-CB 3.88Å; V109-I147 HydrophobicContact CG1-CD1 3.5Å; V109-I147 VanDerWaalsContact CG1-CD1 3.5Å
110	T	98.6	Very high	97.4	Very high	15 Å²	15	71.2 Å²	71.2	9%	0.092	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-124.2	155.6	179.4	54.9	0	0	0	0	111.4	L106 S107 K115 I116 K117 I177	L106-T110 WeakPolarHBondContact O-CG2 3.33Å; L106-T110 PolarHBondContact O-N 3.48Å; L106-T110 VanDerWaalsContact O-N 3.08Å; L106-T110 PolarHBondContact O-OG1 2.84Å; S107-T110 WeakPolarHBondContact CA-OG1 3.33Å; T110-K115 CarbonylContact C-O 3.5Å; T110-K115 WeakPolarHBondContact CA-O 3.47Å; T110-K115 WeakPolarHBondContact CB-O 3.07Å; T110-I116 HydrophobicContact CG2-CG1 4.16Å; T110-K117 WeakPolarHBondContact O-CE 3.48Å; T110-I177 HydrophobicContact CG2-CB 3.88Å; T110-I177 HydrophobicContact CG2-CD1 4.45Å; T110-I177 HydrophobicContact CG2-CG1 4.2Å; T110-I177 HydrophobicContact CG2-CG2 4.19Å
111	H	98.3	Very high	97.3	Very high	101 Å²	101	74.7 Å²	74.7	47%	0.468	39%	0.387	S	S	.	.			trans	-73.8	163.6	163.8	-65.4	-82.3	0	0	0	110	C113 G114 K115	H111-C113 PolarHBondContact O-N 2.79Å; H111-C113 VanDerWaalsContact O-N 3.07Å; H111-G114 PolarHBondContact O-N 3.48Å; H111-K115 HydrophobicContact CB-CB 4.49Å; H111-K115 PolarHBondContact CD2-O 3.07Å; H111-K115 PolarHBondContact N-O 2.75Å
112	E	95.5	Very high	97.3	Very high	212 Å²	212	74.8 Å²	74.8	99%	0.991	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.3	178.7	-64.7	-177.5	172.1	0	0	113.3	G114	E112-G114 PolarHBondContact O-N 3.09Å
113	C	96.3	Very high	97.2	Very high	92 Å²	92	78.7 Å²	78.7	62%	0.622	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-2.6	175.2	61.4	0	0	0	0	114.5	H111	H111-C113 PolarHBondContact O-N 2.79Å; H111-C113 VanDerWaalsContact O-N 3.07Å
114	G	97.2	Very high	97.1	Very high	17 Å²	17	81.9 Å²	81.9	18%	0.175	42%	0.423	C	S	.	.	S	Bend	trans	87.9	-0.8	-178.5	0	0	0	0	0	115.2	H111 E112 I177	H111-G114 PolarHBondContact O-N 3.48Å; E112-G114 PolarHBondContact O-N 3.09Å; G114-I177 PolarHBondContact O-N 3.45Å
115	K	98.7	Very high	96.9	Very high	110 Å²	110	79.7 Å²	79.7	48%	0.478	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-66.3	133.5	171.8	-72.9	-169.6	176.1	-165.7	0	110.9	T110 H111 D175 E176	T110-K115 CarbonylContact C-O 3.5Å; T110-K115 WeakPolarHBondContact CA-O 3.47Å; T110-K115 WeakPolarHBondContact CB-O 3.07Å; H111-K115 HydrophobicContact CB-CB 4.49Å; H111-K115 PolarHBondContact CD2-O 3.07Å; H111-K115 PolarHBondContact N-O 2.75Å; K115-D175 CarbonylContact C-O 3.53Å; K115-D175 VanDerWaalsContact CA-O 3.31Å; K115-D175 WeakPolarHBondContact CA-O 3.22Å; K115-E176 HydrophobicContact CG-CG 4.1Å
116	I	98.7	Very high	96.5	Very high	12 Å²	12	80.2 Å²	80.2	6%	0.062	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-73.8	133.5	178.5	-59.9	163.8	0	0	0	108.4	T110 T118 D131 L133 E174 D175 I177 Y180	T110-I116 HydrophobicContact CG2-CG1 4.16Å; I116-T118 PolarHBondContact O-N 2.96Å; I116-D131 HydrophobicContact CG2-CB 3.74Å; I116-L133 HydrophobicContact CD1-CB 4.42Å; I116-L133 HydrophobicContact CD1-CD2 3.67Å; I116-L133 HydrophobicContact CG1-CD2 4.42Å; I116-L133 HydrophobicContact CG2-CB 3.66Å; I116-E174 WeakPolarHBondContact CD1-O 3.22Å; I116-D175 PolarHBondContact N-O 2.9Å; I116-I177 HydrophobicContact CD1-CD1 4.18Å; I116-I177 HydrophobicContact CG1-CB 4.33Å; I116-I177 HydrophobicContact CG1-CD1 4.22Å; I116-Y180 HydrophobicContact CD1-CD2 4.39Å; I116-Y180 HydrophobicContact CD1-CE2 3.89Å
117	K	98.6	Very high	96.4	Very high	70 Å²	70	80.6 Å²	80.6	30%	0.304	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-68.9	130.4	177.5	-65.3	172	-174.5	167.9	0	109	S108 V109 T110 D131 K132	S108-K117 PolarHBondContact O-NZ 2.83Å; V109-K117 WeakPolarHBondContact O-CG 3.42Å; V109-K117 PolarHBondContact O-N 3.05Å; T110-K117 WeakPolarHBondContact O-CE 3.48Å; K117-D131 WeakPolarHBondContact O-CA 3.15Å; K117-K132 HydrophobicContact CB-CB 4.02Å; K117-K132 HydrophobicContact CB-CG 3.79Å; K117-K132 WeakPolarHBondContact O-CB 3.24Å; K117-K132 PolarHBondContact O-N 2.83Å
118	T	97.7	Very high	96.2	Very high	114 Å²	114	80.5 Å²	80.5	70%	0.699	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	163.7	176.6	56.5	0	0	0	0	111.6	I116	I116-T118 PolarHBondContact O-N 2.96Å
119	R	95.8	Very high	96.2	Very high	61 Å²	61	77.2 Å²	77.2	23%	0.23	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	177.4	169.9	62.7	-179	-68.7	-87.8	7.3	109.5	D122 I129 S130 D131 E135	R119-D122 IonicContact NH2-OD2 3.01Å; R119-D122 PolarHBondContact NH2-OD2 2.86Å; R119-I129 PolarHBondContact NH1-O 3.29Å; R119-S130 PolarHBondContact N-O 3.13Å; R119-D131 VanDerWaalsContact CD-O 3.23Å; R119-D131 WeakPolarHBondContact CD-O 3.36Å; R119-E135 WeakPolarHBondContact CD-OE2 3.39Å; R119-E135 IonicContact CZ-OE2 2.89Å; R119-E135 IonicContact NE-OE2 3.48Å; R119-E135 PolarHBondContact NE-OE2 2.8Å
120	L	95.8	Very high	96.1	Very high	155 Å²	155	78.4 Å²	78.4	81%	0.812	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.8	169.1	-68.7	172.5	0	0	0	110
121	D	96.5	Very high	96.1	Very high	113 Å²	113	78.2 Å²	78.2	60%	0.604	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	138.3	178.9	-67.7	-15.4	0	0	0	111.2	L128 S130	D121-L128 HydrophobicContact CB-CD1 4.06Å; D121-S130 WeakPolarHBondContact OD1-CB 3.48Å; D121-S130 PolarHBondContact OD1-OG 2.91Å
122	D	95.5	Very high	96.1	Very high	74 Å²	74	76.4 Å²	76.4	40%	0.396	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161	174.5	-163	0.5	0	0	0	108.5	R119 I129	R119-D122 IonicContact NH2-OD2 3.01Å; R119-D122 PolarHBondContact NH2-OD2 2.86Å; D122-I129 PolarHBondContact N-O 3.35Å; D122-I129 VanDerWaalsContact N-O 3.15Å; D122-I129 PolarHBondContact O-N 2.69Å
123	V	95.5	Very high	96.2	Very high	97 Å²	97	66.3 Å²	66.3	59%	0.588	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	123.4	179	-178.9	0	0	0	0	109.5	I127 L128	V123-I127 WeakPolarHBondContact CA-O 3.26Å; V123-L128 HydrophobicContact CG2-CD1 4.39Å
124	F	95.3	Very high	96.3	Very high	76 Å²	76	62 Å²	62	33%	0.333	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.1	176.7	177.6	-101.8	0	0	0	109.6	S126 I127 I129 L138 L139	F124-S126 VanDerWaalsContact C-N 3.26Å; F124-S126 PolarHBondContact O-N 3.12Å; F124-I127 PolarHBondContact N-O 3.36Å; F124-I127 WeakPolarHBondContact O-CA 3.28Å; F124-I127 VanDerWaalsContact O-CB 3.31Å; F124-I127 WeakPolarHBondContact O-CB 3.34Å; F124-I127 PolarHBondContact O-N 2.99Å; F124-I129 HydrophobicContact CB-CD1 3.71Å; F124-L138 HydrophobicContact CD1-CB 4.05Å; F124-L138 HydrophobicContact CE1-CB 4.34Å; F124-L139 HydrophobicContact CB-CD2 3.82Å; F124-L139 HydrophobicContact CD1-CD2 4.3Å; F124-L139 HydrophobicContact CD2-CD2 3.86Å; F124-L139 HydrophobicContact CG-CD2 3.72Å
125	E	91.9	Very high	96.3	Very high	128 Å²	128	61.8 Å²	61.8	60%	0.598	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	46.1	178.9	-63	-71.7	177.5	0	0	112.6	I127 H229 L230	E125-I127 PolarHBondContact O-N 3.18Å; E125-H229 PolarHBondContact O-NE2 3.4Å; E125-L230 HydrophobicContact CB-CD2 3.24Å; E125-L230 HydrophobicContact CG-CD2 4Å
126	S	90.9	Very high	96.3	Very high	84 Å²	84	56.6 Å²	56.6	59%	0.587	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	3.4	-174.3	76	0	0	0	0	117	F124 H229	F124-S126 VanDerWaalsContact C-N 3.26Å; F124-S126 PolarHBondContact O-N 3.12Å; S126-H229 PolarHBondContact OG-NE2 2.89Å
127	I	94.3	Very high	96.3	Very high	11 Å²	11	56 Å²	56	6%	0.056	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.9	176.3	-56.5	171.8	0	0	0	110.2	V123 F124 E125 I129 L138 I166 L230	V123-I127 WeakPolarHBondContact CA-O 3.26Å; F124-I127 PolarHBondContact N-O 3.36Å; F124-I127 WeakPolarHBondContact O-CA 3.28Å; F124-I127 VanDerWaalsContact O-CB 3.31Å; F124-I127 WeakPolarHBondContact O-CB 3.34Å; F124-I127 PolarHBondContact O-N 2.99Å; E125-I127 PolarHBondContact O-N 3.18Å; I127-I129 PolarHBondContact O-N 3.49Å; I127-L138 HydrophobicContact CB-CD1 4.43Å; I127-L138 HydrophobicContact CD1-CD1 3.95Å; I127-L138 HydrophobicContact CD1-CD2 4.33Å; I127-L138 HydrophobicContact CG2-CD1 4.04Å; I127-I166 HydrophobicContact CD1-CB 4.39Å; I127-I166 HydrophobicContact CD1-CG1 4.12Å; I127-I166 HydrophobicContact CD1-CG2 3.41Å; I127-I166 VanDerWaalsContact CD1-CG2 3.41Å; I127-I166 HydrophobicContact CG1-CG2 4.16Å; I127-L230 HydrophobicContact CD1-CD1 3.63Å; I127-L230 HydrophobicContact CD1-CD2 3.54Å; I127-L230 HydrophobicContact CD1-CG 3.92Å; I127-L230 HydrophobicContact CG1-CD2 4.27Å
128	L	94.7	Very high	96.3	Very high	79 Å²	79	53 Å²	53	41%	0.414	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.1	168.7	179.5	66.9	0	0	0	110.7	D121 V123 S130 Q173	D121-L128 HydrophobicContact CB-CD1 4.06Å; V123-L128 HydrophobicContact CG2-CD1 4.39Å; L128-S130 WeakPolarHBondContact CG-OG 3.41Å; L128-Q173 PolarHBondContact O-NE2 3.09Å
129	I	96.4	Very high	96.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	96.2	176.6	-55.7	-176.4	0	0	0	109.1	R119 D122 F124 I127 R134 E135 L138 L139	R119-I129 PolarHBondContact NH1-O 3.29Å; D122-I129 PolarHBondContact N-O 3.35Å; D122-I129 VanDerWaalsContact N-O 3.15Å; D122-I129 PolarHBondContact O-N 2.69Å; F124-I129 HydrophobicContact CB-CD1 3.71Å; I127-I129 PolarHBondContact O-N 3.49Å; I129-R134 HydrophobicContact CB-CB 4.46Å; I129-R134 HydrophobicContact CG1-CB 4.27Å; I129-R134 HydrophobicContact CG2-CB 3.87Å; I129-E135 HydrophobicContact CG2-CB 4.27Å; I129-L138 HydrophobicContact CD1-CB 4.1Å; I129-L138 HydrophobicContact CD1-CD1 3.9Å; I129-L138 HydrophobicContact CG1-CD1 4.18Å; I129-L139 HydrophobicContact CD1-CD1 3.98Å; I129-L139 HydrophobicContact CD1-CD2 3.66Å; I129-L139 HydrophobicContact CD1-CG 3.73Å
130	S	96.3	Very high	96.3	Very high	25 Å²	25	52.5 Å²	52.5	18%	0.175	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	2	178	-59	0	0	0	0	113.4	R119 D121 L128	R119-S130 PolarHBondContact N-O 3.13Å; D121-S130 WeakPolarHBondContact OD1-CB 3.48Å; D121-S130 PolarHBondContact OD1-OG 2.91Å; L128-S130 WeakPolarHBondContact CG-OG 3.41Å
131	D	97.9	Very high	96.3	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.064	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	161.5	-172.8	71.5	62	0	0	0	113.5	I116 K117 R119 L133 R134 E135 Q173	I116-D131 HydrophobicContact CG2-CB 3.74Å; K117-D131 WeakPolarHBondContact O-CA 3.15Å; R119-D131 VanDerWaalsContact CD-O 3.23Å; R119-D131 WeakPolarHBondContact CD-O 3.36Å; D131-L133 VanDerWaalsContact C-N 3.28Å; D131-L133 PolarHBondContact O-N 2.94Å; D131-L133 VanDerWaalsContact OD1-CA 3.3Å; D131-L133 WeakPolarHBondContact OD1-CA 3.22Å; D131-L133 WeakPolarHBondContact OD1-CB 3.18Å; D131-L133 PolarHBondContact OD1-N 3.05Å; D131-R134 PolarHBondContact OD1-N 3.44Å; D131-R134 IonicContact OD2-CZ 2.8Å; D131-R134 IonicContact OD2-NH1 2.7Å; D131-R134 PolarHBondContact OD2-NH1 2.86Å; D131-E135 PolarHBondContact O-N 2.81Å; D131-Q173 PolarHBondContact OD2-OE1 3.02Å
132	K	98.2	Very high	96.3	Very high	62 Å²	62	49 Å²	49	27%	0.27	26%	0.26	S	S	.	.	H	α-helix	trans	-71.5	-19.7	179.4	-74.9	-63	-172.3	-175.2	0	113.7	V109 K117 E135 C136	V109-K132 HydrophobicContact CB-CB 3.9Å; V109-K132 HydrophobicContact CG1-CB 4.1Å; V109-K132 WeakPolarHBondContact CG1-O 3.39Å; K117-K132 HydrophobicContact CB-CB 4.02Å; K117-K132 HydrophobicContact CB-CG 3.79Å; K117-K132 WeakPolarHBondContact O-CB 3.24Å; K117-K132 PolarHBondContact O-N 2.83Å; K132-E135 VanDerWaalsContact CD-OE2 3.29Å; K132-E135 WeakPolarHBondContact CD-OE2 3.38Å; K132-E135 WeakPolarHBondContact CE-OE2 3.39Å; K132-E135 IonicContact NZ-OE1 2.75Å; K132-E135 PolarHBondContact NZ-OE1 2.71Å; K132-E135 IonicContact NZ-OE2 3.93Å; K132-E135 PolarHBondContact NZ-OE2 2.75Å; K132-C136 VanDerWaalsContact O-CB 3.28Å; K132-C136 WeakPolarHBondContact O-CB 3.36Å; K132-C136 PolarHBondContact O-N 3.21Å
133	L	98.6	Very high	96.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-70.3	-52.2	177.3	175.2	67.1	0	0	0	110.3	L106 V109 I116 D131 E135 C136 L137 F161 I177 Y180	L106-L133 HydrophobicContact CD2-CD1 3.74Å; V109-L133 HydrophobicContact CG2-CB 4.43Å; V109-L133 HydrophobicContact CG2-CD1 4.12Å; I116-L133 HydrophobicContact CD1-CB 4.42Å; I116-L133 HydrophobicContact CD1-CD2 3.67Å; I116-L133 HydrophobicContact CG1-CD2 4.42Å; I116-L133 HydrophobicContact CG2-CB 3.66Å; D131-L133 VanDerWaalsContact C-N 3.28Å; D131-L133 PolarHBondContact O-N 2.94Å; D131-L133 VanDerWaalsContact OD1-CA 3.3Å; D131-L133 WeakPolarHBondContact OD1-CA 3.22Å; D131-L133 WeakPolarHBondContact OD1-CB 3.18Å; D131-L133 PolarHBondContact OD1-N 3.05Å; L133-E135 VanDerWaalsContact C-N 3.33Å; L133-E135 PolarHBondContact O-N 3.13Å; L133-C136 WeakPolarHBondContact O-CB 3.5Å; L133-C136 PolarHBondContact O-N 3.36Å; L133-L137 HydrophobicContact CD1-CD1 4.13Å; L133-L137 HydrophobicContact CD1-CG 4.42Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 VanDerWaalsContact O-CG 3.23Å; L133-L137 WeakPolarHBondContact O-CG 3.41Å; L133-L137 PolarHBondContact O-N 2.85Å; L133-F161 HydrophobicContact CD1-CE1 3.9Å; L133-F161 HydrophobicContact CD1-CZ 4.05Å; L133-F161 HydrophobicContact CD2-CZ 4.47Å; L133-I177 HydrophobicContact CD1-CD1 3.76Å; L133-I177 HydrophobicContact CD2-CD1 3.46Å; L133-I177 VanDerWaalsContact CD2-CD1 3.46Å; L133-I177 HydrophobicContact CG-CD1 4.2Å; L133-Y180 HydrophobicContact CD2-CD2 4.15Å; L133-Y180 HydrophobicContact CD2-CE2 4.12Å
134	R	97.8	Very high	96.2	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-36.2	177.5	-74.4	179	178	78.7	0.1	112	I129 D131 L137 L138 C165 Q173 Y180	I129-R134 HydrophobicContact CB-CB 4.46Å; I129-R134 HydrophobicContact CG1-CB 4.27Å; I129-R134 HydrophobicContact CG2-CB 3.87Å; D131-R134 PolarHBondContact OD1-N 3.44Å; D131-R134 IonicContact OD2-CZ 2.8Å; D131-R134 IonicContact OD2-NH1 2.7Å; D131-R134 PolarHBondContact OD2-NH1 2.86Å; R134-L137 PolarHBondContact O-N 2.96Å; R134-L137 VanDerWaalsContact O-N 3.16Å; R134-L138 HydrophobicContact CB-CD1 4.3Å; R134-L138 VanDerWaalsContact O-CB 3.29Å; R134-L138 WeakPolarHBondContact O-CB 3.33Å; R134-L138 PolarHBondContact O-N 3.01Å; R134-C165 PolarHBondContact NE-O 3.04Å; R134-C165 PolarHBondContact NH2-O 2.96Å; R134-Q173 VanDerWaalsContact NE-NE2 3.19Å; R134-Q173 VanDerWaalsContact NH2-CG 3.27Å; R134-Y180 PolarHBondContact NH2-OH 3.48Å; R134-Y180 VanDerWaalsContact NH2-OH 3.08Å
135	E	98.1	Very high	96.3	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.065	25%	0.25	C	S	.	.	H	α-helix	trans	-54.8	-52.8	168.9	176.9	-176.6	137.2	0	0	110.8	R119 I129 D131 K132 L133 L137 L138 L139 S142 S144	R119-E135 WeakPolarHBondContact CD-OE2 3.39Å; R119-E135 IonicContact CZ-OE2 2.89Å; R119-E135 IonicContact NE-OE2 3.48Å; R119-E135 PolarHBondContact NE-OE2 2.8Å; I129-E135 HydrophobicContact CG2-CB 4.27Å; D131-E135 PolarHBondContact O-N 2.81Å; K132-E135 VanDerWaalsContact CD-OE2 3.29Å; K132-E135 WeakPolarHBondContact CD-OE2 3.38Å; K132-E135 WeakPolarHBondContact CE-OE2 3.39Å; K132-E135 IonicContact NZ-OE1 2.75Å; K132-E135 PolarHBondContact NZ-OE1 2.71Å; K132-E135 IonicContact NZ-OE2 3.93Å; K132-E135 PolarHBondContact NZ-OE2 2.75Å; L133-E135 VanDerWaalsContact C-N 3.33Å; L133-E135 PolarHBondContact O-N 3.13Å; E135-L137 VanDerWaalsContact C-N 3.25Å; E135-L137 PolarHBondContact O-N 2.71Å; E135-L138 PolarHBondContact O-N 2.85Å; E135-L139 HydrophobicContact CB-CD1 4.46Å; E135-L139 HydrophobicContact CG-CB 4.49Å; E135-L139 HydrophobicContact CG-CD1 4.17Å; E135-L139 PolarHBondContact O-N 2.98Å; E135-S142 VanDerWaalsContact CD-OG 3.31Å; E135-S142 VanDerWaalsContact CG-OG 3.28Å; E135-S142 WeakPolarHBondContact CG-OG 3.3Å; E135-S142 PolarHBondContact OE1-OG 2.81Å; E135-S144 PolarHBondContact OE1-OG 3.3Å
136	C	98.5	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.4	-34.6	176.5	172	0	0	0	0	113	V109 K132 L133 S144 I147 R153	V109-C136 HydrophobicContact CG1-CB 3.88Å; K132-C136 VanDerWaalsContact O-CB 3.28Å; K132-C136 WeakPolarHBondContact O-CB 3.36Å; K132-C136 PolarHBondContact O-N 3.21Å; L133-C136 WeakPolarHBondContact O-CB 3.5Å; L133-C136 PolarHBondContact O-N 3.36Å; C136-S144 PolarHBondContact SG-O 3.47Å; C136-I147 HydrophobicContact CB-CD1 4.45Å; C136-R153 PolarHBondContact O-NH2 2.88Å
137	L	98.4	Very high	96.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-83.6	-29.1	-175.7	-68	172.6	0	0	0	114	L133 R134 E135 F158 F161 K162 C165	L133-L137 HydrophobicContact CD1-CD1 4.13Å; L133-L137 HydrophobicContact CD1-CG 4.42Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 VanDerWaalsContact O-CG 3.23Å; L133-L137 WeakPolarHBondContact O-CG 3.41Å; L133-L137 PolarHBondContact O-N 2.85Å; R134-L137 PolarHBondContact O-N 2.96Å; R134-L137 VanDerWaalsContact O-N 3.16Å; E135-L137 VanDerWaalsContact C-N 3.25Å; E135-L137 PolarHBondContact O-N 2.71Å; L137-F158 HydrophobicContact CD2-CE1 4.47Å; L137-F158 HydrophobicContact CD2-CE2 3.83Å; L137-F158 HydrophobicContact CD2-CZ 3.61Å; L137-F161 HydrophobicContact CD1-CE1 4.24Å; L137-F161 HydrophobicContact CD2-CD1 4.13Å; L137-F161 HydrophobicContact CD2-CE1 4.21Å; L137-K162 HydrophobicContact CB-CG 4.42Å; L137-K162 HydrophobicContact CD2-CB 4.27Å; L137-C165 HydrophobicContact CD1-CB 3.5Å
138	L	97.9	Very high	97.1	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-119.1	-37.4	-165.8	-64.6	169.5	0	0	0	114.6	F124 I127 I129 R134 E135 E140 I166 L230	F124-L138 HydrophobicContact CD1-CB 4.05Å; F124-L138 HydrophobicContact CE1-CB 4.34Å; I127-L138 HydrophobicContact CB-CD1 4.43Å; I127-L138 HydrophobicContact CD1-CD1 3.95Å; I127-L138 HydrophobicContact CD1-CD2 4.33Å; I127-L138 HydrophobicContact CG2-CD1 4.04Å; I129-L138 HydrophobicContact CD1-CB 4.1Å; I129-L138 HydrophobicContact CD1-CD1 3.9Å; I129-L138 HydrophobicContact CG1-CD1 4.18Å; R134-L138 HydrophobicContact CB-CD1 4.3Å; R134-L138 VanDerWaalsContact O-CB 3.29Å; R134-L138 WeakPolarHBondContact O-CB 3.33Å; R134-L138 PolarHBondContact O-N 3.01Å; E135-L138 PolarHBondContact O-N 2.85Å; L138-E140 PolarHBondContact O-N 2.9Å; L138-I166 HydrophobicContact CD2-CD1 3.98Å; L138-I166 HydrophobicContact CD2-CG1 4.2Å; L138-L230 HydrophobicContact CD2-CD1 3.66Å
139	L	97.5	Very high	97.2	Very high	28 Å²	28	42.9 Å²	42.9	15%	0.147	23%	0.232	C	C	.	.			trans	-93.4	97.4	-168.9	-60	-173	0	0	0	110.8	F124 I129 E135 D141 S142 Y145	F124-L139 HydrophobicContact CB-CD2 3.82Å; F124-L139 HydrophobicContact CD1-CD2 4.3Å; F124-L139 HydrophobicContact CD2-CD2 3.86Å; F124-L139 HydrophobicContact CG-CD2 3.72Å; I129-L139 HydrophobicContact CD1-CD1 3.98Å; I129-L139 HydrophobicContact CD1-CD2 3.66Å; I129-L139 HydrophobicContact CD1-CG 3.73Å; E135-L139 HydrophobicContact CB-CD1 4.46Å; E135-L139 HydrophobicContact CG-CB 4.49Å; E135-L139 HydrophobicContact CG-CD1 4.17Å; E135-L139 PolarHBondContact O-N 2.98Å; L139-D141 PolarHBondContact O-N 2.79Å; L139-S142 WeakPolarHBondContact O-CB 3.5Å; L139-S142 PolarHBondContact O-N 2.93Å; L139-S142 VanDerWaalsContact O-N 3.08Å; L139-Y145 WeakPolarHBondContact O-CB 3.46Å
140	E	96.6	Very high	97.2	Very high	136 Å²	136	50.5 Å²	50.5	64%	0.636	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.4	-174.8	-53.5	-163	166.9	0	0	113.5	L138 S142 Y145	L138-E140 PolarHBondContact O-N 2.9Å; E140-S142 VanDerWaalsContact C-N 3.28Å; E140-S142 PolarHBondContact O-N 3.33Å; E140-Y145 HydrophobicContact CB-CD1 4.43Å; E140-Y145 HydrophobicContact CB-CD2 4.47Å; E140-Y145 HydrophobicContact CB-CE1 4.25Å; E140-Y145 HydrophobicContact CB-CE2 4.29Å; E140-Y145 HydrophobicContact CG-CD2 4.39Å; E140-Y145 HydrophobicContact CG-CE1 4.22Å; E140-Y145 HydrophobicContact CG-CE2 3.78Å
141	D	95.8	Very high	97.3	Very high	173 Å²	173	56.2 Å²	56.2	93%	0.925	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-0.5	179.7	-61.7	-40.2	0	0	0	113.7	L139	L139-D141 PolarHBondContact O-N 2.79Å
142	S	95.6	Very high	97.3	Very high	23 Å²	23	57.7 Å²	57.7	16%	0.161	30%	0.296	C	S	.	.	S	Bend	trans	-84.6	142.9	176.8	165.4	0	0	0	0	112.1	E135 L139 E140 S144 Y145	E135-S142 VanDerWaalsContact CD-OG 3.31Å; E135-S142 VanDerWaalsContact CG-OG 3.28Å; E135-S142 WeakPolarHBondContact CG-OG 3.3Å; E135-S142 PolarHBondContact OE1-OG 2.81Å; L139-S142 WeakPolarHBondContact O-CB 3.5Å; L139-S142 PolarHBondContact O-N 2.93Å; L139-S142 VanDerWaalsContact O-N 3.08Å; E140-S142 VanDerWaalsContact C-N 3.28Å; E140-S142 PolarHBondContact O-N 3.33Å; S142-S144 PolarHBondContact O-N 3.03Å; S142-S144 VanDerWaalsContact O-N 3.11Å; S142-S144 WeakPolarHBondContact OG-CB 3.43Å; S142-S144 PolarHBondContact OG-N 2.94Å; S142-S144 PolarHBondContact OG-OG 3.01Å; S142-Y145 WeakPolarHBondContact O-CB 3.5Å; S142-Y145 PolarHBondContact O-N 3.27Å
143	D	93.7	Very high	97.3	Very high	149 Å²	149	55.9 Å²	55.9	80%	0.797	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-50.5	-36.1	168	-65.3	-29.1	0	0	0	112.6	Y145 S146	D143-Y145 PolarHBondContact O-N 2.94Å; D143-S146 PolarHBondContact O-N 2.8Å; D143-S146 PolarHBondContact O-OG 3.01Å
144	S	96.5	Very high	97.3	Very high	16 Å²	16	60.8 Å²	60.8	11%	0.112	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-67.9	-21.2	179.7	-51.3	0	0	0	0	112.4	E135 C136 S142 S146 I147	E135-S144 PolarHBondContact OE1-OG 3.3Å; C136-S144 PolarHBondContact SG-O 3.47Å; S142-S144 PolarHBondContact O-N 3.03Å; S142-S144 VanDerWaalsContact O-N 3.11Å; S142-S144 WeakPolarHBondContact OG-CB 3.43Å; S142-S144 PolarHBondContact OG-N 2.94Å; S142-S144 PolarHBondContact OG-OG 3.01Å; S144-S146 VanDerWaalsContact C-N 3.27Å; S144-S146 PolarHBondContact O-N 2.7Å; S144-I147 WeakPolarHBondContact O-CB 3.39Å; S144-I147 VanDerWaalsContact O-CD1 3.29Å; S144-I147 WeakPolarHBondContact O-CD1 3.44Å; S144-I147 WeakPolarHBondContact O-CG1 3.35Å; S144-I147 PolarHBondContact O-N 3Å
145	Y	97.8	Very high	97.3	Very high	52 Å²	52	61 Å²	61	20%	0.204	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-64.1	-35.2	177.4	-165	-103	0	0	0	111.8	L139 E140 S142 D143 I147 R153	L139-Y145 WeakPolarHBondContact O-CB 3.46Å; E140-Y145 HydrophobicContact CB-CD1 4.43Å; E140-Y145 HydrophobicContact CB-CD2 4.47Å; E140-Y145 HydrophobicContact CB-CE1 4.25Å; E140-Y145 HydrophobicContact CB-CE2 4.29Å; E140-Y145 HydrophobicContact CG-CD2 4.39Å; E140-Y145 HydrophobicContact CG-CE1 4.22Å; E140-Y145 HydrophobicContact CG-CE2 3.78Å; S142-Y145 WeakPolarHBondContact O-CB 3.5Å; S142-Y145 PolarHBondContact O-N 3.27Å; D143-Y145 PolarHBondContact O-N 2.94Å; Y145-I147 PolarHBondContact O-N 3.37Å; Y145-I147 VanDerWaalsContact O-N 3.09Å; Y145-R153 VanDerWaalsContact CD2-CZ 3.48Å; Y145-R153 VanDerWaalsContact CD2-NH2 3.35Å; Y145-R153 VanDerWaalsContact CZ-CZ 3.48Å; Y145-R153 PolarHBondContact O-NE 2.94Å; Y145-R153 PolarHBondContact O-NH2 3.48Å
146	S	96	Very high	97.4	Very high	95 Å²	95	60.4 Å²	60.4	66%	0.664	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-69.1	-7.9	-178.9	70.6	0	0	0	0	114.7	D143 S144 F148	D143-S146 PolarHBondContact O-N 2.8Å; D143-S146 PolarHBondContact O-OG 3.01Å; S144-S146 VanDerWaalsContact C-N 3.27Å; S144-S146 PolarHBondContact O-N 2.7Å; S146-F148 PolarHBondContact O-N 3.03Å
147	I	98.1	Very high	97.4	Very high	29 Å²	29	60.4 Å²	60.4	15%	0.149	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-55.4	-42.7	177.3	-69.2	170.7	0	0	0	110.9	K105 V109 C136 S144 Y145	K105-I147 HydrophobicContact CB-CG2 3.85Å; K105-I147 WeakPolarHBondContact CD-O 3.17Å; K105-I147 PolarHBondContact NZ-O 3.48Å; V109-I147 HydrophobicContact CG1-CD1 3.5Å; V109-I147 VanDerWaalsContact CG1-CD1 3.5Å; C136-I147 HydrophobicContact CB-CD1 4.45Å; S144-I147 WeakPolarHBondContact O-CB 3.39Å; S144-I147 VanDerWaalsContact O-CD1 3.29Å; S144-I147 WeakPolarHBondContact O-CD1 3.44Å; S144-I147 WeakPolarHBondContact O-CG1 3.35Å; S144-I147 PolarHBondContact O-N 3Å; Y145-I147 PolarHBondContact O-N 3.37Å; Y145-I147 VanDerWaalsContact O-N 3.09Å
148	F	98.5	Very high	97.4	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.018	31%	0.31	C	S	.	.	S	Bend	trans	-103.7	129.2	172.4	-64.3	-86.8	0	0	0	109.7	A102 K105 L106 S146 E152 R153 F158	A102-F148 WeakPolarHBondContact O-CE1 3.47Å; K105-F148 HydrophobicContact CB-CE1 4.32Å; K105-F148 HydrophobicContact CB-CZ 4.38Å; K105-F148 HydrophobicContact CD-CD1 4.32Å; K105-F148 HydrophobicContact CD-CE1 4.43Å; L106-F148 HydrophobicContact CD2-CE2 3.6Å; L106-F148 HydrophobicContact CD2-CZ 3.62Å; L106-F148 HydrophobicContact CG-CE2 4.4Å; L106-F148 HydrophobicContact CG-CZ 3.94Å; S146-F148 PolarHBondContact O-N 3.03Å; F148-E152 HydrophobicContact CB-CB 4.35Å; F148-E152 HydrophobicContact CD1-CB 4.3Å; F148-R153 HydrophobicContact CB-CG 3.9Å; F148-R153 PolarHBondContact O-NE 3.13Å; F148-R153 VanDerWaalsContact O-NE 3.17Å; F148-F158 HydrophobicContact CB-CD2 4.42Å; F148-F158 HydrophobicContact CB-CE2 3.96Å; F148-F158 AromaticContact CD1-CD2 3.82Å; F148-F158 HydrophobicContact CD1-CD2 3.82Å; F148-F158 AromaticContact CD1-CE2 3.9Å; F148-F158 HydrophobicContact CD1-CE2 3.9Å; F148-F158 HydrophobicContact CD2-CD2 4.24Å; F148-F158 AromaticContact CD2-CE2 3.48Å; F148-F158 HydrophobicContact CD2-CE2 3.48Å; F148-F158 VanDerWaalsContact CD2-CE2 3.48Å; F148-F158 HydrophobicContact CD2-CZ 4.35Å; F148-F158 HydrophobicContact CE1-CD2 4.05Å; F148-F158 HydrophobicContact CE1-CE2 4.21Å; F148-F158 HydrophobicContact CE2-CD2 4.43Å; F148-F158 AromaticContact CE2-CE2 3.82Å; F148-F158 HydrophobicContact CE2-CE2 3.82Å; F148-F158 AromaticContact CG-CD2 3.91Å; F148-F158 HydrophobicContact CG-CD2 3.91Å; F148-F158 AromaticContact CG-CE2 3.5Å; F148-F158 HydrophobicContact CG-CE2 3.5Å; F148-F158 VanDerWaalsContact CG-CE2 3.5Å; F148-F158 HydrophobicContact CG-CZ 4.45Å; F148-F158 HydrophobicContact CZ-CD2 4.34Å; F148-F158 HydrophobicContact CZ-CE2 4.16Å
149	T	97.1	Very high	97.5	Very high	74 Å²	74	62.8 Å²	62.8	45%	0.454	32%	0.318	S	S	.	.			trans	-66.8	159	173.5	62.7	0	0	0	0	110.5	K151 E152 R153	T149-K151 VanDerWaalsContact C-N 3.28Å; T149-K151 PolarHBondContact O-N 3.36Å; T149-E152 WeakPolarHBondContact CB-OE2 3.43Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.45Å; T149-E152 PolarHBondContact N-OE2 3.41Å; T149-E152 WeakPolarHBondContact O-CB 3.46Å; T149-E152 PolarHBondContact O-N 2.96Å; T149-E152 VanDerWaalsContact OG1-CD 3.32Å; T149-E152 VanDerWaalsContact OG1-CG 3.29Å; T149-E152 WeakPolarHBondContact OG1-CG 3.3Å; T149-E152 PolarHBondContact OG1-N 2.9Å; T149-E152 PolarHBondContact OG1-OE2 3.49Å; T149-R153 WeakPolarHBondContact O-CG 3.42Å; T149-R153 PolarHBondContact O-N 3.37Å
150	E	97.2	Very high	97.5	Very high	160 Å²	160	61.4 Å²	61.4	75%	0.748	31%	0.311	S	S	*	.	H	α-helix	trans	-52.6	-45.7	176	-66.7	178.5	168.2	0	0	112	E152 R153 E154	E150-E152 VanDerWaalsContact C-N 3.29Å; E150-E152 PolarHBondContact O-N 3.31Å; E150-R153 WeakPolarHBondContact O-CA 3.27Å; E150-R153 WeakPolarHBondContact O-CB 3.34Å; E150-R153 PolarHBondContact O-N 2.83Å; E150-E154 WeakPolarHBondContact O-CG 3.26Å; E150-E154 PolarHBondContact O-N 2.78Å
151	K	97.5	Very high	97.6	Very high	146 Å²	146	55 Å²	55	64%	0.635	28%	0.28	S	S	*	.	H	α-helix	trans	-61.4	-34.1	177.2	-71.5	-176.4	178.9	176.8	0	113.7	T149	T149-K151 VanDerWaalsContact C-N 3.28Å; T149-K151 PolarHBondContact O-N 3.36Å
152	E	98.4	Very high	97.8	Very high	42 Å²	42	49.5 Å²	49.5	20%	0.196	25%	0.248	C	C	.	.	H	α-helix	trans	-73.9	-34.5	174.5	-72.6	164.8	137	0	0	111.2	K105 F148 T149 E150 E154 E155 F158	K105-E152 WeakPolarHBondContact CE-OE1 3.21Å; K105-E152 IonicContact NZ-OE1 2.78Å; K105-E152 PolarHBondContact NZ-OE1 3.34Å; K105-E152 IonicContact NZ-OE2 2.78Å; K105-E152 PolarHBondContact NZ-OE2 3Å; F148-E152 HydrophobicContact CB-CB 4.35Å; F148-E152 HydrophobicContact CD1-CB 4.3Å; T149-E152 WeakPolarHBondContact CB-OE2 3.43Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.45Å; T149-E152 PolarHBondContact N-OE2 3.41Å; T149-E152 WeakPolarHBondContact O-CB 3.46Å; T149-E152 PolarHBondContact O-N 2.96Å; T149-E152 VanDerWaalsContact OG1-CD 3.32Å; T149-E152 VanDerWaalsContact OG1-CG 3.29Å; T149-E152 WeakPolarHBondContact OG1-CG 3.3Å; T149-E152 PolarHBondContact OG1-N 2.9Å; T149-E152 PolarHBondContact OG1-OE2 3.49Å; E150-E152 VanDerWaalsContact C-N 3.29Å; E150-E152 PolarHBondContact O-N 3.31Å; E152-E154 VanDerWaalsContact C-N 3.28Å; E152-E154 PolarHBondContact O-N 3.47Å; E152-E155 WeakPolarHBondContact O-CB 3.15Å; E152-E155 PolarHBondContact O-N 2.94Å; E152-F158 WeakPolarHBondContact O-CB 3.19Å
153	R	98.3	Very high	97.9	Very high	25 Å²	25	49 Å²	49	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-30.1	175.6	-67.6	174.3	171.1	-79.2	-9.7	112.6	C136 Y145 F148 T149 E150 E155 F158 R159	C136-R153 PolarHBondContact O-NH2 2.88Å; Y145-R153 VanDerWaalsContact CD2-CZ 3.48Å; Y145-R153 VanDerWaalsContact CD2-NH2 3.35Å; Y145-R153 VanDerWaalsContact CZ-CZ 3.48Å; Y145-R153 PolarHBondContact O-NE 2.94Å; Y145-R153 PolarHBondContact O-NH2 3.48Å; F148-R153 HydrophobicContact CB-CG 3.9Å; F148-R153 PolarHBondContact O-NE 3.13Å; F148-R153 VanDerWaalsContact O-NE 3.17Å; T149-R153 WeakPolarHBondContact O-CG 3.42Å; T149-R153 PolarHBondContact O-N 3.37Å; E150-R153 WeakPolarHBondContact O-CA 3.27Å; E150-R153 WeakPolarHBondContact O-CB 3.34Å; E150-R153 PolarHBondContact O-N 2.83Å; R153-E155 VanDerWaalsContact C-N 3.26Å; R153-E155 PolarHBondContact O-N 2.97Å; R153-F158 VanDerWaalsContact CA-CD1 3.48Å; R153-F158 HydrophobicContact CB-CD1 4.09Å; R153-F158 HydrophobicContact CB-CE1 3.99Å; R153-F158 HydrophobicContact CG-CD1 4.22Å; R153-F158 HydrophobicContact CG-CE1 3.76Å; R153-F158 HydrophobicContact CG-CE2 4.37Å; R153-F158 HydrophobicContact CG-CZ 3.85Å; R153-F158 WeakPolarHBondContact O-CD1 3.36Å; R153-R159 WeakPolarHBondContact O-CG 3.12Å
154	E	98.4	Very high	98.2	Very high	102 Å²	102	41.9 Å²	41.9	48%	0.477	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.1	172.8	-71.6	171.9	175.4	0	0	113.4	R94 E150 E152 F156	R94-E154 HydrophobicContact CB-CB 4.09Å; R94-E154 PolarHBondContact N-O 3.01Å; E150-E154 WeakPolarHBondContact O-CG 3.26Å; E150-E154 PolarHBondContact O-N 2.78Å; E152-E154 VanDerWaalsContact C-N 3.28Å; E152-E154 PolarHBondContact O-N 3.47Å; E154-F156 PolarHBondContact O-N 3.15Å
155	E	98.7	Very high	98.3	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.033	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-65.4	133.2	-179.3	-71.4	-74.5	168.8	0	0	111.4	R94 C95 T96 L97 E152 R153 L157 F158 R159	R94-E155 WeakPolarHBondContact CD-OE1 3.48Å; R94-E155 HydrophobicContact CG-CG 4.47Å; R94-E155 WeakPolarHBondContact CG-OE1 3.17Å; R94-E155 IonicContact CZ-OE1 3.69Å; R94-E155 IonicContact NE-OE1 3.34Å; R94-E155 PolarHBondContact NE-OE1 3.44Å; R94-E155 IonicContact NH2-OE1 3.86Å; R94-E155 CarbonylContact O-C 3.6Å; R94-E155 VanDerWaalsContact O-CA 3.3Å; R94-E155 WeakPolarHBondContact O-CA 3.19Å; C95-E155 WeakPolarHBondContact CA-OE2 3.27Å; T96-E155 PolarHBondContact N-OE2 2.88Å; T96-E155 PolarHBondContact OG1-OE1 3.11Å; L97-E155 HydrophobicContact CD1-CB 4.1Å; L97-E155 HydrophobicContact CD1-CG 3.84Å; L97-E155 HydrophobicContact CG-CG 4Å; E152-E155 WeakPolarHBondContact O-CB 3.15Å; E152-E155 PolarHBondContact O-N 2.94Å; R153-E155 VanDerWaalsContact C-N 3.26Å; R153-E155 PolarHBondContact O-N 2.97Å; E155-L157 PolarHBondContact O-N 3.28Å; E155-L157 VanDerWaalsContact O-N 3.13Å; E155-F158 HydrophobicContact CB-CB 4.44Å; E155-F158 WeakPolarHBondContact O-CB 3.29Å; E155-F158 PolarHBondContact O-N 3.19Å; E155-R159 WeakPolarHBondContact O-CG 3.49Å; E155-R159 PolarHBondContact O-N 2.82Å
156	F	98.9	Very high	98.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.6	-35.4	177.2	-179.4	-121.4	0	0	0	111.7	V93 R94 C95 E154 R159 L160 Y188 L191 I192 V209 Y235 I237 F248	V93-F156 HydrophobicContact CG1-CB 3.82Å; V93-F156 HydrophobicContact CG1-CD2 4.31Å; R94-F156 PolarHBondContact O-N 3.05Å; C95-F156 HydrophobicContact CB-CB 4.2Å; E154-F156 PolarHBondContact O-N 3.15Å; F156-R159 PolarHBondContact O-N 3.39Å; F156-L160 VanDerWaalsContact O-CB 3.27Å; F156-L160 WeakPolarHBondContact O-CB 3.45Å; F156-L160 PolarHBondContact O-N 3.22Å; F156-Y188 HydrophobicContact CD1-CD2 4.12Å; F156-Y188 AromaticContact CD1-CE2 3.81Å; F156-Y188 HydrophobicContact CD1-CE2 3.81Å; F156-Y188 HydrophobicContact CE1-CD2 4.41Å; F156-Y188 HydrophobicContact CE1-CE2 4.49Å; F156-L191 HydrophobicContact CZ-CD1 4.38Å; F156-I192 HydrophobicContact CD1-CD1 3.76Å; F156-I192 HydrophobicContact CD1-CG1 4.05Å; F156-I192 HydrophobicContact CE1-CD1 3.77Å; F156-I192 HydrophobicContact CE1-CG1 4.09Å; F156-V209 HydrophobicContact CB-CG1 4.41Å; F156-V209 HydrophobicContact CD1-CG1 4.4Å; F156-V209 HydrophobicContact CD1-CG2 4.28Å; F156-V209 HydrophobicContact CD2-CG1 3.75Å; F156-V209 HydrophobicContact CE2-CG1 4.09Å; F156-V209 HydrophobicContact CG-CG1 3.92Å; F156-V209 HydrophobicContact CG-CG2 4.36Å; F156-Y235 HydrophobicContact CD2-CD1 4.12Å; F156-Y235 HydrophobicContact CD2-CE1 4.15Å; F156-Y235 HydrophobicContact CD2-CG 4.35Å; F156-Y235 AromaticContact CE2-CD1 3.85Å; F156-Y235 HydrophobicContact CE2-CD1 3.85Å; F156-Y235 AromaticContact CE2-CD2 3.7Å; F156-Y235 HydrophobicContact CE2-CD2 3.7Å; F156-Y235 HydrophobicContact CE2-CE1 4.13Å; F156-Y235 AromaticContact CE2-CE2 3.97Å; F156-Y235 HydrophobicContact CE2-CE2 3.97Å; F156-Y235 AromaticContact CE2-CG 3.62Å; F156-Y235 HydrophobicContact CE2-CG 3.62Å; F156-Y235 HydrophobicContact CZ-CD2 4.5Å; F156-Y235 HydrophobicContact CZ-CG 4.47Å; F156-I237 HydrophobicContact CE1-CD1 4.17Å; F156-I237 HydrophobicContact CZ-CD1 4.05Å; F156-F248 HydrophobicContact CZ-CD1 4.35Å
157	L	98.8	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-43.9	175.4	179.6	62.3	0	0	0	112.2	L97 N99 L100 F103 E155 F161 V184 Y188	L97-L157 HydrophobicContact CB-CD2 4.08Å; L97-L157 HydrophobicContact CD1-CB 4.37Å; L97-L157 HydrophobicContact CD1-CD2 3.94Å; N99-L157 VanDerWaalsContact O-CD2 3.3Å; N99-L157 WeakPolarHBondContact O-CD2 3.43Å; L100-L157 HydrophobicContact CD2-CD1 3.6Å; L100-L157 HydrophobicContact CD2-CD2 3.72Å; L100-L157 HydrophobicContact CD2-CG 4.26Å; F103-L157 HydrophobicContact CE1-CG 4.41Å; F103-L157 HydrophobicContact CE2-CD1 4.01Å; F103-L157 HydrophobicContact CE2-CD2 4.33Å; F103-L157 HydrophobicContact CE2-CG 4.08Å; F103-L157 HydrophobicContact CZ-CD1 3.92Å; F103-L157 HydrophobicContact CZ-CD2 4.18Å; F103-L157 HydrophobicContact CZ-CG 3.64Å; E155-L157 PolarHBondContact O-N 3.28Å; E155-L157 VanDerWaalsContact O-N 3.13Å; L157-F161 WeakPolarHBondContact O-CB 3.15Å; L157-F161 PolarHBondContact O-N 3.03Å; L157-V184 HydrophobicContact CD1-CG1 3.7Å; L157-Y188 HydrophobicContact CB-CD2 4.12Å; L157-Y188 HydrophobicContact CB-CE2 3.76Å; L157-Y188 HydrophobicContact CD1-CD1 4.38Å; L157-Y188 HydrophobicContact CD1-CD2 3.68Å; L157-Y188 HydrophobicContact CD1-CE2 4.15Å; L157-Y188 HydrophobicContact CD1-CG 3.81Å; L157-Y188 HydrophobicContact CG-CD2 4.5Å
158	F	98.8	Very high	98.3	Very high	9 Å²	9	33.1 Å²	33.1	4%	0.039	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-45.1	176.1	177.4	-86.8	0	0	0	111	L137 F148 E152 R153 E155 L160 F161 K162	L137-F158 HydrophobicContact CD2-CE1 4.47Å; L137-F158 HydrophobicContact CD2-CE2 3.83Å; L137-F158 HydrophobicContact CD2-CZ 3.61Å; F148-F158 HydrophobicContact CB-CD2 4.42Å; F148-F158 HydrophobicContact CB-CE2 3.96Å; F148-F158 AromaticContact CD1-CD2 3.82Å; F148-F158 HydrophobicContact CD1-CD2 3.82Å; F148-F158 AromaticContact CD1-CE2 3.9Å; F148-F158 HydrophobicContact CD1-CE2 3.9Å; F148-F158 HydrophobicContact CD2-CD2 4.24Å; F148-F158 AromaticContact CD2-CE2 3.48Å; F148-F158 HydrophobicContact CD2-CE2 3.48Å; F148-F158 VanDerWaalsContact CD2-CE2 3.48Å; F148-F158 HydrophobicContact CD2-CZ 4.35Å; F148-F158 HydrophobicContact CE1-CD2 4.05Å; F148-F158 HydrophobicContact CE1-CE2 4.21Å; F148-F158 HydrophobicContact CE2-CD2 4.43Å; F148-F158 AromaticContact CE2-CE2 3.82Å; F148-F158 HydrophobicContact CE2-CE2 3.82Å; F148-F158 AromaticContact CG-CD2 3.91Å; F148-F158 HydrophobicContact CG-CD2 3.91Å; F148-F158 AromaticContact CG-CE2 3.5Å; F148-F158 HydrophobicContact CG-CE2 3.5Å; F148-F158 VanDerWaalsContact CG-CE2 3.5Å; F148-F158 HydrophobicContact CG-CZ 4.45Å; F148-F158 HydrophobicContact CZ-CD2 4.34Å; F148-F158 HydrophobicContact CZ-CE2 4.16Å; E152-F158 WeakPolarHBondContact O-CB 3.19Å; R153-F158 VanDerWaalsContact CA-CD1 3.48Å; R153-F158 HydrophobicContact CB-CD1 4.09Å; R153-F158 HydrophobicContact CB-CE1 3.99Å; R153-F158 HydrophobicContact CG-CD1 4.22Å; R153-F158 HydrophobicContact CG-CE1 3.76Å; R153-F158 HydrophobicContact CG-CE2 4.37Å; R153-F158 HydrophobicContact CG-CZ 3.85Å; R153-F158 WeakPolarHBondContact O-CD1 3.36Å; E155-F158 HydrophobicContact CB-CB 4.44Å; E155-F158 WeakPolarHBondContact O-CB 3.29Å; E155-F158 PolarHBondContact O-N 3.19Å; F158-L160 VanDerWaalsContact C-N 3.34Å; F158-L160 PolarHBondContact O-N 3.44Å; F158-F161 WeakPolarHBondContact O-CB 3.47Å; F158-F161 PolarHBondContact O-N 3.02Å; F158-F161 VanDerWaalsContact O-N 3.13Å; F158-K162 HydrophobicContact CE1-CB 4.36Å; F158-K162 HydrophobicContact CE1-CD 4.42Å; F158-K162 PolarHBondContact O-N 3.28Å
159	R	98.9	Very high	98.2	Very high	48 Å²	48	39 Å²	39	18%	0.181	18%	0.182	C	C	.	.	H	α-helix	trans	-58.5	-46.7	178.4	-65.4	176.3	63.3	145.2	8.3	111.2	R153 E155 F156 F161 K162 H163 E211 Y235	R153-R159 WeakPolarHBondContact O-CG 3.12Å; E155-R159 WeakPolarHBondContact O-CG 3.49Å; E155-R159 PolarHBondContact O-N 2.82Å; F156-R159 PolarHBondContact O-N 3.39Å; R159-F161 VanDerWaalsContact C-N 3.34Å; R159-F161 PolarHBondContact O-N 3.43Å; R159-K162 WeakPolarHBondContact O-CB 3.46Å; R159-K162 PolarHBondContact O-N 3.08Å; R159-H163 PolarHBondContact O-CD2 2.71Å; R159-H163 PolarHBondContact O-N 3.03Å; R159-E211 IonicContact CZ-OE2 2.72Å; R159-E211 IonicContact NH1-OE2 3.64Å; R159-E211 IonicContact NH2-OE1 2.69Å; R159-E211 PolarHBondContact NH2-OE1 3.28Å; R159-E211 IonicContact NH2-OE2 3.2Å; R159-E211 PolarHBondContact NH2-OE2 3.13Å; R159-Y235 VanDerWaalsContact CZ-OH 3.31Å; R159-Y235 PolarHBondContact NE-OH 3.03Å; R159-Y235 PolarHBondContact NH2-OH 3.16Å
160	L	98.9	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-45.6	174.3	176.9	61.1	0	0	0	111.5	F156 F158 H163 I164 V184 I187 Y188 F248	F156-L160 VanDerWaalsContact O-CB 3.27Å; F156-L160 WeakPolarHBondContact O-CB 3.45Å; F156-L160 PolarHBondContact O-N 3.22Å; F158-L160 VanDerWaalsContact C-N 3.34Å; F158-L160 PolarHBondContact O-N 3.44Å; L160-H163 PolarHBondContact O-N 3.36Å; L160-I164 HydrophobicContact CD1-CG1 4.17Å; L160-I164 VanDerWaalsContact O-CG1 3.31Å; L160-I164 WeakPolarHBondContact O-CG1 3.33Å; L160-I164 PolarHBondContact O-N 3.38Å; L160-V184 HydrophobicContact CD2-CG1 4Å; L160-V184 HydrophobicContact CG-CG1 4.12Å; L160-V184 HydrophobicContact CG-CG2 4.42Å; L160-I187 HydrophobicContact CD1-CB 4.49Å; L160-I187 HydrophobicContact CD1-CD1 4.29Å; L160-I187 HydrophobicContact CD1-CG2 3.85Å; L160-I187 HydrophobicContact CD2-CB 3.99Å; L160-I187 HydrophobicContact CD2-CG2 3.72Å; L160-I187 HydrophobicContact CG-CG2 4.41Å; L160-Y188 HydrophobicContact CD2-CD2 4.29Å; L160-F248 HydrophobicContact CD1-CE1 3.67Å; L160-F248 HydrophobicContact CD1-CZ 3.82Å
161	F	98.9	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-44.3	176.9	179.6	-94.8	0	0	0	113	F103 L106 L133 L137 L157 F158 R159 H163 I164 C165 I177 I181 V184	F103-F161 HydrophobicContact CD2-CD2 4.49Å; F103-F161 HydrophobicContact CE1-CB 3.79Å; F103-F161 HydrophobicContact CE1-CD1 4.17Å; F103-F161 HydrophobicContact CE1-CD2 4.22Å; F103-F161 AromaticContact CE1-CG 3.8Å; F103-F161 HydrophobicContact CE1-CG 3.8Å; F103-F161 HydrophobicContact CE2-CB 4.3Å; F103-F161 HydrophobicContact CE2-CD2 4.01Å; F103-F161 HydrophobicContact CE2-CG 4.31Å; F103-F161 HydrophobicContact CZ-CB 3.43Å; F103-F161 VanDerWaalsContact CZ-CB 3.43Å; F103-F161 AromaticContact CZ-CD2 3.87Å; F103-F161 HydrophobicContact CZ-CD2 3.87Å; F103-F161 AromaticContact CZ-CG 3.7Å; F103-F161 HydrophobicContact CZ-CG 3.7Å; L106-F161 HydrophobicContact CD1-CE1 3.87Å; L106-F161 HydrophobicContact CD1-CE2 4.18Å; L106-F161 HydrophobicContact CD1-CZ 3.53Å; L106-F161 HydrophobicContact CD2-CE1 4.33Å; L133-F161 HydrophobicContact CD1-CE1 3.9Å; L133-F161 HydrophobicContact CD1-CZ 4.05Å; L133-F161 HydrophobicContact CD2-CZ 4.47Å; L137-F161 HydrophobicContact CD1-CE1 4.24Å; L137-F161 HydrophobicContact CD2-CD1 4.13Å; L137-F161 HydrophobicContact CD2-CE1 4.21Å; L157-F161 WeakPolarHBondContact O-CB 3.15Å; L157-F161 PolarHBondContact O-N 3.03Å; F158-F161 WeakPolarHBondContact O-CB 3.47Å; F158-F161 PolarHBondContact O-N 3.02Å; F158-F161 VanDerWaalsContact O-N 3.13Å; R159-F161 VanDerWaalsContact C-N 3.34Å; R159-F161 PolarHBondContact O-N 3.43Å; F161-H163 VanDerWaalsContact C-N 3.33Å; F161-H163 PolarHBondContact O-N 2.94Å; F161-I164 PolarHBondContact O-N 2.93Å; F161-C165 VanDerWaalsContact CE1-SG 3.58Å; F161-C165 WeakPolarHBondContact CZ-SG 3.27Å; F161-C165 WeakPolarHBondContact O-CB 3.46Å; F161-C165 PolarHBondContact O-N 3.44Å; F161-C165 PolarHBondContact O-SG 3.18Å; F161-I177 HydrophobicContact CZ-CD1 3.88Å; F161-I181 HydrophobicContact CE2-CG1 3.89Å; F161-V184 HydrophobicContact CB-CG1 4.26Å; F161-V184 HydrophobicContact CB-CG2 4.11Å; F161-V184 HydrophobicContact CD2-CB 4.47Å; F161-V184 HydrophobicContact CD2-CG2 3.95Å; F161-V184 HydrophobicContact CG-CG2 4.5Å
162	K	98.8	Very high	97.7	Very high	59 Å²	59	31.3 Å²	31.3	26%	0.257	15%	0.147	S	C	.	.	H	α-helix	trans	-55.3	-49.2	173	177.5	179.2	177.1	-179	0	110.8	L137 F158 R159 I164 C165 I166	L137-K162 HydrophobicContact CB-CG 4.42Å; L137-K162 HydrophobicContact CD2-CB 4.27Å; F158-K162 HydrophobicContact CE1-CB 4.36Å; F158-K162 HydrophobicContact CE1-CD 4.42Å; F158-K162 PolarHBondContact O-N 3.28Å; R159-K162 WeakPolarHBondContact O-CB 3.46Å; R159-K162 PolarHBondContact O-N 3.08Å; K162-I164 PolarHBondContact O-N 2.77Å; K162-C165 PolarHBondContact O-N 3.06Å; K162-I166 HydrophobicContact CD-CD1 4.48Å; K162-I166 HydrophobicContact CG-CD1 3.71Å; K162-I166 WeakPolarHBondContact O-CD1 3.48Å; K162-I166 VanDerWaalsContact O-CG1 3.3Å; K162-I166 WeakPolarHBondContact O-CG1 3.34Å; K162-I166 PolarHBondContact O-N 2.88Å
163	H	98.8	Very high	97.5	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.056	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-43.5	-179.2	-69.5	-43.3	0	0	0	113.7	R159 L160 F161 I166 G167 N231 F233 Y235	R159-H163 PolarHBondContact O-CD2 2.71Å; R159-H163 PolarHBondContact O-N 3.03Å; L160-H163 PolarHBondContact O-N 3.36Å; F161-H163 VanDerWaalsContact C-N 3.33Å; F161-H163 PolarHBondContact O-N 2.94Å; H163-I166 PolarHBondContact O-N 3.36Å; H163-G167 PolarHBondContact O-N 3Å; H163-G167 VanDerWaalsContact O-N 3.08Å; H163-N231 VanDerWaalsContact CA-OD1 3.23Å; H163-N231 WeakPolarHBondContact CA-OD1 3.45Å; H163-N231 WeakPolarHBondContact CB-OD1 3.37Å; H163-N231 PolarHBondContact ND1-OD1 3.01Å; H163-N231 PolarHBondContact O-ND2 3.3Å; H163-F233 HydrophobicContact CB-CD1 4.17Å; H163-F233 HydrophobicContact CB-CE1 3.42Å; H163-F233 VanDerWaalsContact CB-CE1 3.42Å; H163-F233 HydrophobicContact CB-CZ 3.82Å; H163-F233 AromaticContact CD2-CD1 3.68Å; H163-F233 AromaticContact CD2-CE1 3.64Å; H163-F233 AromaticContact CD2-CG 3.94Å; H163-F233 AromaticContact CD2-CZ 3.87Å; H163-F233 AromaticContact CE1-CD1 3.37Å; H163-F233 WeakPolarHBondContact CE1-CD1 3.38Å; H163-F233 AromaticContact CE1-CE1 3.98Å; H163-F233 AromaticContact CE1-CG 3.76Å; H163-F233 AromaticContact CG-CD1 3.47Å; H163-F233 VanDerWaalsContact CG-CD1 3.47Å; H163-F233 AromaticContact CG-CE1 3.23Å; H163-F233 AromaticContact CG-CZ 3.8Å; H163-F233 AromaticContact ND1-CD1 3.27Å; H163-F233 VanDerWaalsContact ND1-CD1 3.27Å; H163-F233 WeakPolarHBondContact ND1-CD1 3.36Å; H163-F233 AromaticContact ND1-CE1 3.48Å; H163-F233 WeakPolarHBondContact ND1-CE1 3.41Å; H163-F233 AromaticContact NE2-CD1 3.64Å; H163-F233 AromaticContact NE2-CG 3.67Å; H163-Y235 AromaticContact CD2-CE2 3.81Å; H163-Y235 AromaticContact NE2-CE2 3.58Å; H163-Y235 AromaticContact NE2-CZ 3.57Å; H163-Y235 PolarHBondContact NE2-OH 2.94Å
164	I	98.7	Very high	97.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68	-37.6	177.9	-66.8	-54.6	0	0	0	111.6	F37 W40 M42 L160 F161 K162 I166 Y180 T183 V184 I187	F37-I164 HydrophobicContact CE1-CD1 4.03Å; W40-I164 HydrophobicContact CE3-CG2 3.74Å; W40-I164 HydrophobicContact CH2-CG2 4.03Å; W40-I164 HydrophobicContact CZ3-CG2 3.3Å; M42-I164 HydrophobicContact CE-CD1 4.07Å; M42-I164 HydrophobicContact SD-CD1 3.79Å; L160-I164 HydrophobicContact CD1-CG1 4.17Å; L160-I164 VanDerWaalsContact O-CG1 3.31Å; L160-I164 WeakPolarHBondContact O-CG1 3.33Å; L160-I164 PolarHBondContact O-N 3.38Å; F161-I164 PolarHBondContact O-N 2.93Å; K162-I164 PolarHBondContact O-N 2.77Å; I164-I166 VanDerWaalsContact C-N 3.34Å; I164-Y180 HydrophobicContact CG2-CD1 4.12Å; I164-T183 HydrophobicContact CG2-CG2 4.42Å; I164-V184 HydrophobicContact CB-CG2 3.92Å; I164-V184 HydrophobicContact CG1-CG2 3.85Å; I164-V184 HydrophobicContact CG2-CG2 4.14Å; I164-I187 HydrophobicContact CD1-CD1 3.68Å; I164-I187 HydrophobicContact CG1-CD1 3.99Å
165	C	98.5	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.5	-31.2	175.3	-65.4	0	0	0	0	112.4	R134 L137 F161 K162	R134-C165 PolarHBondContact NE-O 3.04Å; R134-C165 PolarHBondContact NH2-O 2.96Å; L137-C165 HydrophobicContact CD1-CB 3.5Å; F161-C165 VanDerWaalsContact CE1-SG 3.58Å; F161-C165 WeakPolarHBondContact CZ-SG 3.27Å; F161-C165 WeakPolarHBondContact O-CB 3.46Å; F161-C165 PolarHBondContact O-N 3.44Å; F161-C165 PolarHBondContact O-SG 3.18Å; K162-C165 PolarHBondContact O-N 3.06Å
166	I	98.2	Very high	97.5	Very high	4 Å²	4	37 Å²	37	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-72.6	-48.2	176.7	-66.7	155.8	0	0	0	111.1	I127 L138 K162 H163 I164 L230 N231	I127-I166 HydrophobicContact CD1-CB 4.39Å; I127-I166 HydrophobicContact CD1-CG1 4.12Å; I127-I166 HydrophobicContact CD1-CG2 3.41Å; I127-I166 VanDerWaalsContact CD1-CG2 3.41Å; I127-I166 HydrophobicContact CG1-CG2 4.16Å; L138-I166 HydrophobicContact CD2-CD1 3.98Å; L138-I166 HydrophobicContact CD2-CG1 4.2Å; K162-I166 HydrophobicContact CD-CD1 4.48Å; K162-I166 HydrophobicContact CG-CD1 3.71Å; K162-I166 WeakPolarHBondContact O-CD1 3.48Å; K162-I166 VanDerWaalsContact O-CG1 3.3Å; K162-I166 WeakPolarHBondContact O-CG1 3.34Å; K162-I166 PolarHBondContact O-N 2.88Å; H163-I166 PolarHBondContact O-N 3.36Å; I164-I166 VanDerWaalsContact C-N 3.34Å; I166-L230 HydrophobicContact CD1-CD1 3.48Å; I166-L230 VanDerWaalsContact CD1-CD1 3.48Å; I166-L230 HydrophobicContact CG1-CD1 4.37Å; I166-N231 HydrophobicContact CB-CB 4.35Å; I166-N231 HydrophobicContact CG2-CB 3.71Å
167	G	97.9	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.			trans	71.8	-161.6	-176.8	0	0	0	0	0	114.5	W40 H163 N231	W40-G167 CarbonylContact O-C 3.45Å; W40-G167 WeakPolarHBondContact O-CA 3.41Å; H163-G167 PolarHBondContact O-N 3Å; H163-G167 VanDerWaalsContact O-N 3.08Å; G167-N231 PolarHBondContact N-ND2 3.16Å; G167-N231 PolarHBondContact O-ND2 3.3Å
168	G	96.9	Very high	97.4	Very high	4 Å²	4	43.7 Å²	43.7	4%	0.041	21%	0.209	C	C	.	.	S	Bend	trans	-89.8	-166.1	171.7	0	0	0	0	0	112.7	W40 I170 C171 G253	W40-G168 PolarHBondContact O-N 2.66Å; G168-I170 PolarHBondContact O-N 2.72Å; G168-C171 WeakPolarHBondContact O-CB 3.34Å; G168-C171 PolarHBondContact O-N 3.17Å; G168-G253 WeakPolarHBondContact CA-O 3.49Å
169	E	95.2	Very high	97.4	Very high	127 Å²	127	43.8 Å²	43.8	59%	0.593	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-36.6	-169.2	-175.5	175.6	-176.6	0	0	113.8	F252 G253 C254	E169-F252 HydrophobicContact CB-CE1 4.12Å; E169-F252 HydrophobicContact CB-CZ 4.01Å; E169-F252 HydrophobicContact CG-CE1 4.46Å; E169-G253 VanDerWaalsContact CB-C 3.42Å; E169-G253 PolarHBondContact N-O 2.89Å; E169-C254 PolarHBondContact OE2-N 2.82Å
170	I	93.7	Very high	97.4	Very high	74 Å²	74	41.5 Å²	41.5	38%	0.379	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	38.3	178.6	57.7	167.2	0	0	0	111.6	S41 G168 Q172 C254 F257	S41-I170 WeakPolarHBondContact OG-CG1 3.41Å; G168-I170 PolarHBondContact O-N 2.72Å; I170-Q172 PolarHBondContact O-N 3.44Å; I170-C254 WeakPolarHBondContact CD1-SG 3.14Å; I170-F257 HydrophobicContact CD1-CE1 3.32Å; I170-F257 HydrophobicContact CD1-CE2 4.35Å; I170-F257 HydrophobicContact CD1-CZ 3.2Å
171	C	94.5	Very high	97.4	Very high	24 Å²	24	43.3 Å²	43.3	16%	0.162	21%	0.211	C	C	.	.			trans	-58.5	119.4	179.9	-178.1	0	0	0	0	111.6	G168	G168-C171 WeakPolarHBondContact O-CB 3.34Å; G168-C171 PolarHBondContact O-N 3.17Å
172	Q	94.4	Very high	97.4	Very high	121 Å²	121	44.6 Å²	44.6	57%	0.565	22%	0.218	S	C	*	.			trans	-90.8	108.7	169.4	-61.9	175	25.7	0	0	109.4	K39 W40 I170	K39-Q172 HydrophobicContact CD-CB 4.41Å; K39-Q172 WeakPolarHBondContact CE-O 3.27Å; K39-Q172 HydrophobicContact CG-CB 3.64Å; K39-Q172 WeakPolarHBondContact O-CB 3.12Å; K39-Q172 PolarHBondContact O-N 2.87Å; W40-Q172 VanDerWaalsContact CD1-O 3.31Å; I170-Q172 PolarHBondContact O-N 3.44Å
173	Q	94.2	Very high	97.4	Very high	53 Å²	53	41.9 Å²	41.9	25%	0.248	21%	0.206	C	C	.	.			trans	-70.4	144.9	-172.3	-46.3	-174.5	-15.2	0	0	111.1	L128 D131 R134	L128-Q173 PolarHBondContact O-NE2 3.09Å; D131-Q173 PolarHBondContact OD2-OE1 3.02Å; R134-Q173 VanDerWaalsContact NE-NE2 3.19Å; R134-Q173 VanDerWaalsContact NH2-CG 3.27Å
174	E	97.5	Very high	97.4	Very high	23 Å²	23	41.3 Å²	41.3	11%	0.107	20%	0.204	C	C	.	.			trans	-81.4	144.6	167.5	-53.5	-56.8	142.6	0	0	111.9	K39 W40 I116 E176 P179 Y180	K39-E174 WeakPolarHBondContact CD-OE1 3.44Å; K39-E174 WeakPolarHBondContact CE-OE1 3.4Å; K39-E174 IonicContact NZ-OE1 2.82Å; K39-E174 PolarHBondContact NZ-OE1 3.32Å; K39-E174 IonicContact NZ-OE2 2.7Å; K39-E174 PolarHBondContact NZ-OE2 3.49Å; W40-E174 HydrophobicContact CZ2-CG 3.97Å; W40-E174 PolarHBondContact NE1-OE1 2.67Å; I116-E174 WeakPolarHBondContact CD1-O 3.22Å; E174-E176 VanDerWaalsContact C-N 3.3Å; E174-E176 WeakPolarHBondContact CB-O 3.47Å; E174-P179 HydrophobicContact CB-CG 4.44Å; E174-P179 HydrophobicContact CG-CB 3.88Å; E174-P179 HydrophobicContact CG-CG 4.05Å; E174-Y180 HydrophobicContact CB-CD2 4.48Å; E174-Y180 HydrophobicContact CB-CE2 3.68Å; E174-Y180 HydrophobicContact CG-CE1 4.3Å; E174-Y180 HydrophobicContact CG-CE2 4.07Å; E174-Y180 PolarHBondContact N-OH 3.01Å
175	D	97.9	Very high	97.4	Very high	128 Å²	128	46.4 Å²	46.4	68%	0.684	22%	0.223	S	C	*	.	S	Bend	trans	-78.8	-15	169.8	-63.3	-43.4	0	0	0	112.7	K115 I116	K115-D175 CarbonylContact C-O 3.53Å; K115-D175 VanDerWaalsContact CA-O 3.31Å; K115-D175 WeakPolarHBondContact CA-O 3.22Å; I116-D175 PolarHBondContact N-O 2.9Å
176	E	98.3	Very high	97.4	Very high	92 Å²	92	47.4 Å²	47.4	43%	0.43	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-117.4	146.8	-177.6	-68.4	-174.9	-164.1	0	0	111.4	K115 E174 P179	K115-E176 HydrophobicContact CG-CG 4.1Å; E174-E176 VanDerWaalsContact C-N 3.3Å; E174-E176 WeakPolarHBondContact CB-O 3.47Å; E176-P179 WeakPolarHBondContact O-CD 3.44Å
177	I	98.5	Very high	97.4	Very high	16 Å²	16	47.2 Å²	47.2	8%	0.082	23%	0.226	C	C	.	.	S	Bend	trans	-76.4	-26.7	-177.2	-160.1	62.2	0	0	0	113.5	L106 T110 G114 I116 L133 F161 Y180 I181	L106-I177 HydrophobicContact CD1-CD1 4.08Å; L106-I177 HydrophobicContact CD1-CG1 3.99Å; T110-I177 HydrophobicContact CG2-CB 3.88Å; T110-I177 HydrophobicContact CG2-CD1 4.45Å; T110-I177 HydrophobicContact CG2-CG1 4.2Å; T110-I177 HydrophobicContact CG2-CG2 4.19Å; G114-I177 PolarHBondContact O-N 3.45Å; I116-I177 HydrophobicContact CD1-CD1 4.18Å; I116-I177 HydrophobicContact CG1-CB 4.33Å; I116-I177 HydrophobicContact CG1-CD1 4.22Å; L133-I177 HydrophobicContact CD1-CD1 3.76Å; L133-I177 HydrophobicContact CD2-CD1 3.46Å; L133-I177 VanDerWaalsContact CD2-CD1 3.46Å; L133-I177 HydrophobicContact CG-CD1 4.2Å; F161-I177 HydrophobicContact CZ-CD1 3.88Å; I177-Y180 HydrophobicContact CD1-CD2 4.43Å; I177-Y180 PolarHBondContact O-N 3.35Å; I177-I181 HydrophobicContact CG1-CD1 3.88Å; I177-I181 HydrophobicContact CG1-CG1 4.23Å; I177-I181 HydrophobicContact CG2-CD1 4.21Å; I177-I181 PolarHBondContact O-N 3.18Å
178	K	98.3	Very high	97.5	Very high	123 Å²	123	48 Å²	48	54%	0.535	23%	0.229	S	C	.	.	H	α-helix	trans	-60.2	-44.6	-169.5	178	170.7	175.3	50.3	0	113.5	Y180 I181 D182	K178-Y180 VanDerWaalsContact C-N 3.32Å; K178-Y180 PolarHBondContact O-N 3.14Å; K178-I181 PolarHBondContact O-N 3.28Å; K178-D182 WeakPolarHBondContact CE-OD2 3.36Å; K178-D182 WeakPolarHBondContact CG-OD2 3.31Å; K178-D182 IonicContact NZ-OD1 3.81Å; K178-D182 IonicContact NZ-OD2 3.5Å; K178-D182 PolarHBondContact NZ-OD2 3.35Å; K178-D182 WeakPolarHBondContact O-CB 3.41Å; K178-D182 PolarHBondContact O-N 2.82Å
179	P	98.7	Very high	97.5	Very high	12 Å²	12	54.1 Å²	54.1	8%	0.078	25%	0.251	C	S	.	.	H	α-helix	trans	-51.7	-46.5	174.4	-32	38.7	0	0	0	114	Y36 W40 E174 E176 D182 T183	Y36-P179 HydrophobicContact CD1-CB 4.38Å; Y36-P179 HydrophobicContact CE1-CB 3.78Å; Y36-P179 HydrophobicContact CE1-CG 4.2Å; Y36-P179 HydrophobicContact CE2-CB 3.93Å; W40-P179 HydrophobicContact CH2-CB 4.42Å; W40-P179 HydrophobicContact CZ2-CB 4.01Å; E174-P179 HydrophobicContact CB-CG 4.44Å; E174-P179 HydrophobicContact CG-CB 3.88Å; E174-P179 HydrophobicContact CG-CG 4.05Å; E176-P179 WeakPolarHBondContact O-CD 3.44Å; P179-D182 PolarHBondContact O-N 3.42Å; P179-T183 WeakPolarHBondContact O-CB 3.38Å; P179-T183 PolarHBondContact O-N 3.43Å; P179-T183 PolarHBondContact O-OG1 3.07Å; P179-T183 VanDerWaalsContact O-OG1 3.14Å
180	Y	98.8	Very high	97.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-47.4	180	-58.1	-66.4	0	0	0	111.3	W40 I116 L133 R134 I164 E174 I177 K178 D182 T183 V184	W40-Y180 HydrophobicContact CD2-CE1 4.24Å; W40-Y180 AromaticContact CE2-CD1 3.97Å; W40-Y180 AromaticContact CE2-CE1 3.67Å; W40-Y180 AromaticContact CH2-CD1 3.76Å; W40-Y180 HydrophobicContact CH2-CD1 3.76Å; W40-Y180 HydrophobicContact CH2-CE1 4.32Å; W40-Y180 AromaticContact CZ2-CD1 3.58Å; W40-Y180 HydrophobicContact CZ2-CD1 3.58Å; W40-Y180 AromaticContact CZ2-CE1 3.73Å; W40-Y180 HydrophobicContact CZ2-CE1 3.73Å; W40-Y180 HydrophobicContact CZ2-CG 4.4Å; W40-Y180 HydrophobicContact CZ3-CD1 4.32Å; W40-Y180 AromaticContact NE1-CE1 3.91Å; I116-Y180 HydrophobicContact CD1-CD2 4.39Å; I116-Y180 HydrophobicContact CD1-CE2 3.89Å; L133-Y180 HydrophobicContact CD2-CD2 4.15Å; L133-Y180 HydrophobicContact CD2-CE2 4.12Å; R134-Y180 PolarHBondContact NH2-OH 3.48Å; R134-Y180 VanDerWaalsContact NH2-OH 3.08Å; I164-Y180 HydrophobicContact CG2-CD1 4.12Å; E174-Y180 HydrophobicContact CB-CD2 4.48Å; E174-Y180 HydrophobicContact CB-CE2 3.68Å; E174-Y180 HydrophobicContact CG-CE1 4.3Å; E174-Y180 HydrophobicContact CG-CE2 4.07Å; E174-Y180 PolarHBondContact N-OH 3.01Å; I177-Y180 HydrophobicContact CD1-CD2 4.43Å; I177-Y180 PolarHBondContact O-N 3.35Å; K178-Y180 VanDerWaalsContact C-N 3.32Å; K178-Y180 PolarHBondContact O-N 3.14Å; Y180-D182 PolarHBondContact O-N 3.29Å; Y180-T183 PolarHBondContact O-N 3.43Å; Y180-V184 WeakPolarHBondContact O-CB 3.47Å; Y180-V184 WeakPolarHBondContact O-CG2 3.27Å; Y180-V184 PolarHBondContact O-N 3.24Å
181	I	98.7	Very high	97.8	Very high	38 Å²	38	45.9 Å²	45.9	20%	0.195	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-44.1	179.3	-66.5	176.9	0	0	0	111	L100 F103 L106 F161 I177 K178 V184 R185	L100-I181 HydrophobicContact CD1-CG2 4.01Å; F103-I181 HydrophobicContact CB-CD1 4.24Å; F103-I181 HydrophobicContact CD2-CG1 4.23Å; F103-I181 HydrophobicContact CD2-CG2 4.34Å; L106-I181 HydrophobicContact CD1-CD1 4.3Å; F161-I181 HydrophobicContact CE2-CG1 3.89Å; I177-I181 HydrophobicContact CG1-CD1 3.88Å; I177-I181 HydrophobicContact CG1-CG1 4.23Å; I177-I181 HydrophobicContact CG2-CD1 4.21Å; I177-I181 PolarHBondContact O-N 3.18Å; K178-I181 PolarHBondContact O-N 3.28Å; I181-V184 PolarHBondContact O-N 2.74Å; I181-R185 VanDerWaalsContact O-CB 3.31Å; I181-R185 WeakPolarHBondContact O-CB 3.41Å; I181-R185 PolarHBondContact O-N 3.01Å
182	D	98.7	Very high	98	Very high	27 Å²	27	45.2 Å²	45.2	14%	0.144	21%	0.207	C	C	.	.	H	α-helix	trans	-68	-39.3	-179.1	-83.9	-36.7	0	0	0	112.7	K178 P179 Y180 R185 K186	K178-D182 WeakPolarHBondContact CE-OD2 3.36Å; K178-D182 WeakPolarHBondContact CG-OD2 3.31Å; K178-D182 IonicContact NZ-OD1 3.81Å; K178-D182 IonicContact NZ-OD2 3.5Å; K178-D182 PolarHBondContact NZ-OD2 3.35Å; K178-D182 WeakPolarHBondContact O-CB 3.41Å; K178-D182 PolarHBondContact O-N 2.82Å; P179-D182 PolarHBondContact O-N 3.42Å; Y180-D182 PolarHBondContact O-N 3.29Å; D182-R185 WeakPolarHBondContact O-CB 3.19Å; D182-R185 PolarHBondContact O-N 2.95Å; D182-R185 IonicContact OD1-CZ 3.13Å; D182-R185 IonicContact OD1-NE 2.79Å; D182-R185 PolarHBondContact OD1-NE 2.76Å; D182-R185 IonicContact OD1-NH2 2.71Å; D182-R185 PolarHBondContact OD1-NH2 3.29Å; D182-K186 WeakPolarHBondContact O-CG 3.37Å; D182-K186 PolarHBondContact O-N 3.15Å
183	T	98.8	Very high	98.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-46.8	174.6	-65.4	0	0	0	0	111	V33 F37 W40 I164 P179 Y180 R185 K186 I187	V33-T183 HydrophobicContact CG1-CG2 3.92Å; V33-T183 HydrophobicContact CG2-CG2 4.38Å; F37-T183 HydrophobicContact CE1-CG2 3.92Å; F37-T183 HydrophobicContact CZ-CG2 4.34Å; W40-T183 HydrophobicContact CH2-CG2 4.36Å; W40-T183 HydrophobicContact CZ3-CG2 3.78Å; I164-T183 HydrophobicContact CG2-CG2 4.42Å; P179-T183 WeakPolarHBondContact O-CB 3.38Å; P179-T183 PolarHBondContact O-N 3.43Å; P179-T183 PolarHBondContact O-OG1 3.07Å; P179-T183 VanDerWaalsContact O-OG1 3.14Å; Y180-T183 PolarHBondContact O-N 3.43Å; T183-R185 VanDerWaalsContact C-N 3.31Å; T183-R185 PolarHBondContact O-N 3.23Å; T183-K186 PolarHBondContact O-N 2.91Å; T183-K186 VanDerWaalsContact O-N 3.12Å; T183-I187 HydrophobicContact CG2-CD1 3.75Å; T183-I187 HydrophobicContact CG2-CG1 4.37Å; T183-I187 WeakPolarHBondContact O-CG1 3.29Å; T183-I187 PolarHBondContact O-N 3.16Å
184	V	98.9	Very high	98.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-40.1	177.4	169.3	0	0	0	0	111.5	F103 L157 L160 F161 I164 Y180 I181 K186 I187 Y188	F103-V184 HydrophobicContact CE2-CG1 4.01Å; F103-V184 HydrophobicContact CZ-CG1 4.22Å; L157-V184 HydrophobicContact CD1-CG1 3.7Å; L160-V184 HydrophobicContact CD2-CG1 4Å; L160-V184 HydrophobicContact CG-CG1 4.12Å; L160-V184 HydrophobicContact CG-CG2 4.42Å; F161-V184 HydrophobicContact CB-CG1 4.26Å; F161-V184 HydrophobicContact CB-CG2 4.11Å; F161-V184 HydrophobicContact CD2-CB 4.47Å; F161-V184 HydrophobicContact CD2-CG2 3.95Å; F161-V184 HydrophobicContact CG-CG2 4.5Å; I164-V184 HydrophobicContact CB-CG2 3.92Å; I164-V184 HydrophobicContact CG1-CG2 3.85Å; I164-V184 HydrophobicContact CG2-CG2 4.14Å; Y180-V184 WeakPolarHBondContact O-CB 3.47Å; Y180-V184 WeakPolarHBondContact O-CG2 3.27Å; Y180-V184 PolarHBondContact O-N 3.24Å; I181-V184 PolarHBondContact O-N 2.74Å; V184-K186 VanDerWaalsContact C-N 3.32Å; V184-K186 PolarHBondContact O-N 3.14Å; V184-I187 PolarHBondContact O-N 3.06Å; V184-Y188 WeakPolarHBondContact O-CB 3.48Å; V184-Y188 PolarHBondContact O-N 3.21Å
185	R	98.7	Very high	97.9	Very high	106 Å²	106	43.8 Å²	43.8	40%	0.4	21%	0.207	S	C	.	.	H	α-helix	trans	-56.2	-45.7	174	-176	170.2	54.5	97	0.2	112.2	L100 I181 D182 T183 R189	L100-R185 HydrophobicContact CD1-CB 3.64Å; L100-R185 HydrophobicContact CD1-CG 3.76Å; I181-R185 VanDerWaalsContact O-CB 3.31Å; I181-R185 WeakPolarHBondContact O-CB 3.41Å; I181-R185 PolarHBondContact O-N 3.01Å; D182-R185 WeakPolarHBondContact O-CB 3.19Å; D182-R185 PolarHBondContact O-N 2.95Å; D182-R185 IonicContact OD1-CZ 3.13Å; D182-R185 IonicContact OD1-NE 2.79Å; D182-R185 PolarHBondContact OD1-NE 2.76Å; D182-R185 IonicContact OD1-NH2 2.71Å; D182-R185 PolarHBondContact OD1-NH2 3.29Å; T183-R185 VanDerWaalsContact C-N 3.31Å; T183-R185 PolarHBondContact O-N 3.23Å; R185-R189 VanDerWaalsContact O-CB 3.26Å; R185-R189 WeakPolarHBondContact O-CB 3.45Å; R185-R189 PolarHBondContact O-N 3.2Å; R185-R189 VanDerWaalsContact O-N 3.11Å
186	K	98.7	Very high	97.7	Very high	21 Å²	21	44.4 Å²	44.4	9%	0.091	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-48.1	-179.9	-70.2	173	-176.5	-179	0	110.5	F27 D30 V33 D182 T183 V184 D190	F27-K186 HydrophobicContact CB-CB 3.99Å; D30-K186 IonicContact OD1-NZ 2.9Å; D30-K186 PolarHBondContact OD1-NZ 3.19Å; D30-K186 VanDerWaalsContact OD2-CE 3.27Å; D30-K186 WeakPolarHBondContact OD2-CE 3.31Å; D30-K186 IonicContact OD2-NZ 2.75Å; D30-K186 PolarHBondContact OD2-NZ 3.14Å; V33-K186 HydrophobicContact CG2-CD 3.4Å; D182-K186 WeakPolarHBondContact O-CG 3.37Å; D182-K186 PolarHBondContact O-N 3.15Å; T183-K186 PolarHBondContact O-N 2.91Å; T183-K186 VanDerWaalsContact O-N 3.12Å; V184-K186 VanDerWaalsContact C-N 3.32Å; V184-K186 PolarHBondContact O-N 3.14Å; K186-D190 WeakPolarHBondContact O-CB 3.23Å; K186-D190 PolarHBondContact O-N 2.78Å
187	I	98.8	Very high	97.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-50.8	178.3	-60.6	164.9	0	0	0	110.7	F27 F37 L160 I164 T183 V184 R189 D190 L191 F248	F27-I187 HydrophobicContact CB-CG1 4.28Å; F27-I187 HydrophobicContact CD1-CG1 4.47Å; F27-I187 HydrophobicContact CD2-CB 4.48Å; F27-I187 HydrophobicContact CD2-CG1 3.56Å; F27-I187 HydrophobicContact CE1-CG2 4.37Å; F27-I187 HydrophobicContact CE2-CG1 3.87Å; F27-I187 HydrophobicContact CE2-CG2 4.43Å; F27-I187 HydrophobicContact CG-CB 4.43Å; F27-I187 HydrophobicContact CG-CG1 3.87Å; F27-I187 HydrophobicContact CZ-CG1 4.42Å; F27-I187 HydrophobicContact CZ-CG2 4.22Å; F37-I187 HydrophobicContact CE1-CD1 4.23Å; F37-I187 HydrophobicContact CZ-CD1 3.92Å; F37-I187 HydrophobicContact CZ-CG1 4.44Å; L160-I187 HydrophobicContact CD1-CB 4.49Å; L160-I187 HydrophobicContact CD1-CD1 4.29Å; L160-I187 HydrophobicContact CD1-CG2 3.85Å; L160-I187 HydrophobicContact CD2-CB 3.99Å; L160-I187 HydrophobicContact CD2-CG2 3.72Å; L160-I187 HydrophobicContact CG-CG2 4.41Å; I164-I187 HydrophobicContact CD1-CD1 3.68Å; I164-I187 HydrophobicContact CG1-CD1 3.99Å; T183-I187 HydrophobicContact CG2-CD1 3.75Å; T183-I187 HydrophobicContact CG2-CG1 4.37Å; T183-I187 WeakPolarHBondContact O-CG1 3.29Å; T183-I187 PolarHBondContact O-N 3.16Å; V184-I187 PolarHBondContact O-N 3.06Å; I187-R189 PolarHBondContact O-N 3.24Å; I187-D190 PolarHBondContact O-N 2.73Å; I187-D190 VanDerWaalsContact O-N 3.13Å; I187-L191 HydrophobicContact CG2-CD1 3.53Å; I187-L191 HydrophobicContact CG2-CG 4.08Å; I187-L191 WeakPolarHBondContact O-CB 3.3Å; I187-L191 WeakPolarHBondContact O-CG 3.46Å; I187-L191 PolarHBondContact O-N 3.47Å; I187-F248 HydrophobicContact CG2-CE2 4.36Å; I187-F248 HydrophobicContact CG2-CZ 4.05Å
188	Y	98.6	Very high	96.8	Very high	17 Å²	17	45 Å²	45	7%	0.067	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-44	-176.5	-168.3	-95.9	0	0	0	112.1	C95 L97 F156 L157 L160 V184 D190 L191 I192 I205	C95-Y188 PolarHBondContact SG-OH 2.64Å; L97-Y188 WeakPolarHBondContact O-CE1 3.34Å; L97-Y188 PolarHBondContact O-OH 3.38Å; F156-Y188 HydrophobicContact CD1-CD2 4.12Å; F156-Y188 AromaticContact CD1-CE2 3.81Å; F156-Y188 HydrophobicContact CD1-CE2 3.81Å; F156-Y188 HydrophobicContact CE1-CD2 4.41Å; F156-Y188 HydrophobicContact CE1-CE2 4.49Å; L157-Y188 HydrophobicContact CB-CD2 4.12Å; L157-Y188 HydrophobicContact CB-CE2 3.76Å; L157-Y188 HydrophobicContact CD1-CD1 4.38Å; L157-Y188 HydrophobicContact CD1-CD2 3.68Å; L157-Y188 HydrophobicContact CD1-CE2 4.15Å; L157-Y188 HydrophobicContact CD1-CG 3.81Å; L157-Y188 HydrophobicContact CG-CD2 4.5Å; L160-Y188 HydrophobicContact CD2-CD2 4.29Å; V184-Y188 WeakPolarHBondContact O-CB 3.48Å; V184-Y188 PolarHBondContact O-N 3.21Å; Y188-D190 VanDerWaalsContact C-N 3.29Å; Y188-D190 PolarHBondContact O-N 3.48Å; Y188-L191 PolarHBondContact O-N 2.9Å; Y188-I192 HydrophobicContact CD1-CB 4.35Å; Y188-I192 HydrophobicContact CD1-CG1 4.37Å; Y188-I192 HydrophobicContact CD2-CG1 3.86Å; Y188-I192 HydrophobicContact CE1-CB 4.05Å; Y188-I192 HydrophobicContact CE1-CG1 4.12Å; Y188-I192 HydrophobicContact CE1-CG2 4.16Å; Y188-I192 HydrophobicContact CE2-CB 4.42Å; Y188-I192 HydrophobicContact CE2-CG1 3.59Å; Y188-I192 HydrophobicContact CG-CG1 4.25Å; Y188-I192 WeakPolarHBondContact O-CB 3.39Å; Y188-I192 PolarHBondContact O-N 2.97Å; Y188-I205 WeakPolarHBondContact OH-CD1 3.48Å
189	R	97.5	Very high	96.6	Very high	132 Å²	132	46.1 Å²	46.1	50%	0.498	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-37.3	176.7	-179.7	-165.1	63.5	-136.9	-9.3	112.6	R185 I187	R185-R189 VanDerWaalsContact O-CB 3.26Å; R185-R189 WeakPolarHBondContact O-CB 3.45Å; R185-R189 PolarHBondContact O-N 3.2Å; R185-R189 VanDerWaalsContact O-N 3.11Å; I187-R189 PolarHBondContact O-N 3.24Å
190	D	97.7	Very high	96.2	Very high	28 Å²	28	49 Å²	49	15%	0.15	25%	0.247	C	C	.	.	H	α-helix	trans	-83.7	-22.8	-174.9	-63.8	-1.3	0	0	0	112.1	Y25 P26 F27 K186 I187 Y188	Y25-D190 HydrophobicContact CD1-CB 4.35Å; P26-D190 WeakPolarHBondContact CB-OD2 3.49Å; P26-D190 WeakPolarHBondContact CD-OD2 3.3Å; F27-D190 WeakPolarHBondContact CB-OD2 3.48Å; F27-D190 HydrophobicContact CD1-CB 3.74Å; F27-D190 HydrophobicContact CE1-CB 4.35Å; F27-D190 PolarHBondContact N-OD2 2.97Å; K186-D190 WeakPolarHBondContact O-CB 3.23Å; K186-D190 PolarHBondContact O-N 2.78Å; I187-D190 PolarHBondContact O-N 2.73Å; I187-D190 VanDerWaalsContact O-N 3.13Å; Y188-D190 VanDerWaalsContact C-N 3.29Å; Y188-D190 PolarHBondContact O-N 3.48Å
191	L	98.3	Very high	95.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-93.3	-40.7	178.2	-67.6	-176	0	0	0	113.7	Y25 F27 V48 F156 I187 Y188 I237 I246 F248	Y25-L191 HydrophobicContact CD1-CD2 4.15Å; Y25-L191 HydrophobicContact CE1-CD2 3.85Å; F27-L191 HydrophobicContact CE1-CD2 4.33Å; F27-L191 HydrophobicContact CE1-CG 4.46Å; V48-L191 HydrophobicContact CG1-CD2 4.15Å; V48-L191 HydrophobicContact CG2-CD2 4.47Å; F156-L191 HydrophobicContact CZ-CD1 4.38Å; I187-L191 HydrophobicContact CG2-CD1 3.53Å; I187-L191 HydrophobicContact CG2-CG 4.08Å; I187-L191 WeakPolarHBondContact O-CB 3.3Å; I187-L191 WeakPolarHBondContact O-CG 3.46Å; I187-L191 PolarHBondContact O-N 3.47Å; Y188-L191 PolarHBondContact O-N 2.9Å; L191-I237 HydrophobicContact CB-CD1 3.94Å; L191-I237 HydrophobicContact CD1-CD1 4.07Å; L191-I237 HydrophobicContact CD2-CD1 4.42Å; L191-I237 HydrophobicContact CG-CD1 4.39Å; L191-I246 HydrophobicContact CD2-CG2 3.88Å; L191-F248 HydrophobicContact CD1-CB 4.13Å; L191-F248 HydrophobicContact CD1-CD1 3.84Å; L191-F248 HydrophobicContact CD1-CD2 4.03Å; L191-F248 HydrophobicContact CD1-CE1 4.18Å; L191-F248 HydrophobicContact CD1-CE2 4.3Å; L191-F248 HydrophobicContact CD1-CG 3.73Å; L191-F248 HydrophobicContact CD1-CZ 4.36Å; L191-F248 HydrophobicContact CD2-CB 4.49Å
192	I	98	Very high	95.4	Very high	11 Å²	11	55.9 Å²	55.9	6%	0.056	29%	0.285	C	S	.	.			trans	-97.4	129.2	-171.7	-59.4	-53.6	0	0	0	111.1	F156 Y188 I205 V209 I237	F156-I192 HydrophobicContact CD1-CD1 3.76Å; F156-I192 HydrophobicContact CD1-CG1 4.05Å; F156-I192 HydrophobicContact CE1-CD1 3.77Å; F156-I192 HydrophobicContact CE1-CG1 4.09Å; Y188-I192 HydrophobicContact CD1-CB 4.35Å; Y188-I192 HydrophobicContact CD1-CG1 4.37Å; Y188-I192 HydrophobicContact CD2-CG1 3.86Å; Y188-I192 HydrophobicContact CE1-CB 4.05Å; Y188-I192 HydrophobicContact CE1-CG1 4.12Å; Y188-I192 HydrophobicContact CE1-CG2 4.16Å; Y188-I192 HydrophobicContact CE2-CB 4.42Å; Y188-I192 HydrophobicContact CE2-CG1 3.59Å; Y188-I192 HydrophobicContact CG-CG1 4.25Å; Y188-I192 WeakPolarHBondContact O-CB 3.39Å; Y188-I192 PolarHBondContact O-N 2.97Å; I192-I205 HydrophobicContact CG2-CD1 4.25Å; I192-I205 HydrophobicContact CG2-CG1 4.09Å; I192-I205 HydrophobicContact CG2-CG2 3.87Å; I192-V209 HydrophobicContact CD1-CG2 3.86Å; I192-I237 HydrophobicContact CD1-CD1 4.38Å; I192-I237 HydrophobicContact CD1-CG2 3.95Å
193	C	96.1	Very high	95.2	Very high	19 Å²	19	59.5 Å²	59.5	13%	0.128	30%	0.303	C	S	.	.			trans	-95.8	134.1	177.4	-63.2	0	0	0	0	110	V206 S207 D239 K242	C193-V206 HydrophobicContact CB-CG2 3.51Å; C193-V206 VanDerWaalsContact O-CG2 3.32Å; C193-V206 WeakPolarHBondContact O-CG2 3.5Å; C193-V206 PolarHBondContact O-N 3.42Å; C193-S207 PolarHBondContact N-OG 3.12Å; C193-D239 PolarHBondContact SG-OD2 3.45Å; C193-K242 PolarHBondContact SG-NZ 2.92Å
194	V	94.8	Very high	94.9	Very high	76 Å²	76	62.7 Å²	62.7	46%	0.461	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153.2	173.2	-62.4	0	0	0	0	109.9	T98 I203 E204 I205	T98-V194 HydrophobicContact CG2-CG1 4.27Å; V194-I203 HydrophobicContact CB-CG2 3.65Å; V194-I203 HydrophobicContact CG1-CG2 4.14Å; V194-I203 HydrophobicContact CG2-CG2 3.84Å; V194-E204 CarbonylContact C-O 3.53Å; V194-E204 WeakPolarHBondContact CA-O 3.47Å; V194-E204 WeakPolarHBondContact CB-O 3.38Å; V194-I205 HydrophobicContact CG1-CG1 3.99Å
195	Q	93.3	Very high	94.8	Very high	72 Å²	72	64.2 Å²	64.2	34%	0.336	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	158.1	170.4	75.6	-176.1	-7.7	0	0	110.6	I203 E204 V206	Q195-I203 WeakPolarHBondContact O-CA 3.47Å; Q195-E204 HydrophobicContact CG-CG 3.72Å; Q195-E204 PolarHBondContact N-O 3.26Å; Q195-E204 PolarHBondContact NE2-OE1 3.01Å; Q195-E204 PolarHBondContact O-N 2.76Å; Q195-V206 HydrophobicContact CB-CG1 3.75Å; Q195-V206 HydrophobicContact CG-CG1 3.34Å
196	K	93.1	Very high	94.6	Very high	141 Å²	141	60 Å²	60	61%	0.613	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.6	168.8	-168.8	173.6	-173.6	174.8	0	108.2	K201 A202	K196-K201 WeakPolarHBondContact CE-O 3.41Å; K196-K201 WeakPolarHBondContact CG-O 3.43Å; K196-A202 WeakPolarHBondContact CA-O 3.31Å
197	N	89	Confident	94.6	Very high	34 Å²	34	59.4 Å²	59.4	18%	0.182	31%	0.31	C	S	.	.			trans	-59.2	125.8	174.7	-174.2	-61.1	0	0	0	109.3	D199 S200 K201 A202 E204	N197-D199 VanDerWaalsContact C-N 3.26Å; N197-D199 PolarHBondContact O-N 3.18Å; N197-D199 PolarHBondContact OD1-N 3.48Å; N197-S200 VanDerWaalsContact CB-OG 3.26Å; N197-S200 WeakPolarHBondContact CB-OG 3.34Å; N197-S200 VanDerWaalsContact CG-OG 3.3Å; N197-S200 PolarHBondContact OD1-N 3.33Å; N197-S200 PolarHBondContact OD1-OG 3.25Å; N197-K201 WeakPolarHBondContact O-CA 3.19Å; N197-K201 PolarHBondContact O-N 3.46Å; N197-A202 WeakPolarHBondContact CB-O 3.43Å; N197-A202 PolarHBondContact N-O 3.31Å; N197-E204 PolarHBondContact ND2-OE2 3.15Å
198	P	90	Very high	94.6	Very high	85 Å²	85	64.1 Å²	64.1	55%	0.552	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-30.7	-173.9	24.5	-33.1	0	0	0	112.8	K201	P198-K201 WeakPolarHBondContact O-CE 3.29Å; P198-K201 PolarHBondContact O-NZ 3.41Å
199	D	92.6	Very high	94.6	Very high	148 Å²	148	63.5 Å²	63.5	79%	0.791	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-55.6	-176	-59	-40.7	0	0	0	111.1	N197 K201	N197-D199 VanDerWaalsContact C-N 3.26Å; N197-D199 PolarHBondContact O-N 3.18Å; N197-D199 PolarHBondContact OD1-N 3.48Å; D199-K201 VanDerWaalsContact C-N 3.32Å; D199-K201 PolarHBondContact O-N 2.96Å
200	S	91.1	Very high	94.6	Very high	73 Å²	73	57.8 Å²	57.8	51%	0.51	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.6	-176.5	72.8	0	0	0	0	113.7	N197 A202	N197-S200 VanDerWaalsContact CB-OG 3.26Å; N197-S200 WeakPolarHBondContact CB-OG 3.34Å; N197-S200 VanDerWaalsContact CG-OG 3.3Å; N197-S200 PolarHBondContact OD1-N 3.33Å; N197-S200 PolarHBondContact OD1-OG 3.25Å; S200-A202 PolarHBondContact O-N 3.33Å; S200-A202 WeakPolarHBondContact OG-CB 3.43Å; S200-A202 PolarHBondContact OG-N 2.9Å
201	K	89.6	Confident	94.7	Very high	131 Å²	131	58.1 Å²	58.1	57%	0.57	31%	0.305	S	S	*	.			trans	58.6	5.8	-170.2	-53.5	-54.4	-174.9	-162.9	0	114.4	K196 N197 P198 D199	K196-K201 WeakPolarHBondContact CE-O 3.41Å; K196-K201 WeakPolarHBondContact CG-O 3.43Å; N197-K201 WeakPolarHBondContact O-CA 3.19Å; N197-K201 PolarHBondContact O-N 3.46Å; P198-K201 WeakPolarHBondContact O-CE 3.29Å; P198-K201 PolarHBondContact O-NZ 3.41Å; D199-K201 VanDerWaalsContact C-N 3.32Å; D199-K201 PolarHBondContact O-N 2.96Å
202	A	91.6	Very high	94.7	Very high	50 Å²	50	58.1 Å²	58.1	41%	0.413	31%	0.306	S	S	.	.			trans	-74.9	151.1	176.8	0	0	0	0	0	111	K196 N197 S200	K196-A202 WeakPolarHBondContact CA-O 3.31Å; N197-A202 WeakPolarHBondContact CB-O 3.43Å; N197-A202 PolarHBondContact N-O 3.31Å; S200-A202 PolarHBondContact O-N 3.33Å; S200-A202 WeakPolarHBondContact OG-CB 3.43Å; S200-A202 PolarHBondContact OG-N 2.9Å
203	I	93.3	Very high	94.7	Very high	104 Å²	104	62.1 Å²	62.1	53%	0.533	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.1	171.6	-61	175.9	0	0	0	107.6	T98 V194 Q195	T98-I203 HydrophobicContact CG2-CG2 4.08Å; V194-I203 HydrophobicContact CB-CG2 3.65Å; V194-I203 HydrophobicContact CG1-CG2 4.14Å; V194-I203 HydrophobicContact CG2-CG2 3.84Å; Q195-I203 WeakPolarHBondContact O-CA 3.47Å
204	E	94.3	Very high	94.8	Very high	68 Å²	68	61.2 Å²	61.2	32%	0.318	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.8	179.7	65.9	-170.4	-167	0	0	110.9	V194 Q195 N197	V194-E204 CarbonylContact C-O 3.53Å; V194-E204 WeakPolarHBondContact CA-O 3.47Å; V194-E204 WeakPolarHBondContact CB-O 3.38Å; Q195-E204 HydrophobicContact CG-CG 3.72Å; Q195-E204 PolarHBondContact N-O 3.26Å; Q195-E204 PolarHBondContact NE2-OE1 3.01Å; Q195-E204 PolarHBondContact O-N 2.76Å; N197-E204 PolarHBondContact ND2-OE2 3.15Å
205	I	96.1	Very high	95	Very high	32 Å²	32	58.7 Å²	58.7	16%	0.164	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.5	174.6	-68.7	171.7	0	0	0	108.8	C95 T98 Y188 I192 V194 S207	C95-I205 VanDerWaalsContact O-CD1 3.29Å; C95-I205 WeakPolarHBondContact O-CD1 3.27Å; T98-I205 HydrophobicContact CG2-CD1 4.47Å; T98-I205 HydrophobicContact CG2-CG1 3.98Å; Y188-I205 WeakPolarHBondContact OH-CD1 3.48Å; I192-I205 HydrophobicContact CG2-CD1 4.25Å; I192-I205 HydrophobicContact CG2-CG1 4.09Å; I192-I205 HydrophobicContact CG2-CG2 3.87Å; V194-I205 HydrophobicContact CG1-CG1 3.99Å; I205-S207 WeakPolarHBondContact CG2-O 3.39Å
206	V	95.1	Very high	95	Very high	18 Å²	18	56.6 Å²	56.6	11%	0.109	29%	0.288	C	S	.	.			trans	-100	-16.9	174.3	-60.6	0	0	0	0	112.8	C193 Q195 P240 L241	C193-V206 HydrophobicContact CB-CG2 3.51Å; C193-V206 VanDerWaalsContact O-CG2 3.32Å; C193-V206 WeakPolarHBondContact O-CG2 3.5Å; C193-V206 PolarHBondContact O-N 3.42Å; Q195-V206 HydrophobicContact CB-CG1 3.75Å; Q195-V206 HydrophobicContact CG-CG1 3.34Å; V206-P240 WeakPolarHBondContact O-CD 3.37Å; V206-L241 HydrophobicContact CG1-CD1 4.24Å
207	S	97.6	Very high	95	Very high	8 Å²	8	56.1 Å²	56.1	6%	0.056	29%	0.288	C	S	.	.			trans	-75.9	134	-177.5	-64.4	0	0	0	0	112.1	C193 I205 V238	C193-S207 PolarHBondContact N-OG 3.12Å; I205-S207 WeakPolarHBondContact CG2-O 3.39Å; S207-V238 VanDerWaalsContact CA-O 3.28Å; S207-V238 WeakPolarHBondContact CA-O 3.5Å
208	Y	98.4	Very high	95.2	Very high	100 Å²	100	61.9 Å²	61.9	39%	0.392	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.2	166.3	-61.9	-83.4	0	0	0	109.5	F57 P59 I237 V238 P240	F57-Y208 AromaticContact CD1-CD2 3.95Å; F57-Y208 HydrophobicContact CD1-CD2 3.95Å; F57-Y208 HydrophobicContact CD1-CE2 4.36Å; F57-Y208 AromaticContact CE1-CD2 3.66Å; F57-Y208 HydrophobicContact CE1-CD2 3.66Å; F57-Y208 HydrophobicContact CE1-CE2 4.31Å; F57-Y208 AromaticContact CE1-CG 3.86Å; F57-Y208 HydrophobicContact CE1-CG 3.86Å; P59-Y208 HydrophobicContact CB-CD1 4.28Å; P59-Y208 HydrophobicContact CB-CE1 4.11Å; P59-Y208 HydrophobicContact CG-CD1 3.85Å; P59-Y208 HydrophobicContact CG-CD2 4.31Å; P59-Y208 HydrophobicContact CG-CE1 3.38Å; P59-Y208 HydrophobicContact CG-CE2 3.86Å; P59-Y208 HydrophobicContact CG-CG 4.29Å; Y208-I237 CarbonylContact O-C 3.43Å; Y208-I237 WeakPolarHBondContact O-CA 3.29Å; Y208-V238 PolarHBondContact N-O 3.34Å; Y208-V238 PolarHBondContact O-N 3.21Å; Y208-P240 HydrophobicContact CD2-CG 4.37Å; Y208-P240 HydrophobicContact CE2-CG 4.06Å
209	V	98.8	Very high	95.3	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.5	-177.5	-172.4	0	0	0	0	109.4	V93 C95 F156 I192 Y235 I237	V93-V209 HydrophobicContact CB-CB 4.11Å; V93-V209 HydrophobicContact CB-CG1 3.94Å; V93-V209 HydrophobicContact CG1-CG1 4.39Å; V93-V209 HydrophobicContact CG2-CG1 4.34Å; V93-V209 PolarHBondContact N-O 2.91Å; C95-V209 HydrophobicContact CB-CB 4.37Å; C95-V209 HydrophobicContact CB-CG2 3.78Å; F156-V209 HydrophobicContact CB-CG1 4.41Å; F156-V209 HydrophobicContact CD1-CG1 4.4Å; F156-V209 HydrophobicContact CD1-CG2 4.28Å; F156-V209 HydrophobicContact CD2-CG1 3.75Å; F156-V209 HydrophobicContact CE2-CG1 4.09Å; F156-V209 HydrophobicContact CG-CG1 3.92Å; F156-V209 HydrophobicContact CG-CG2 4.36Å; I192-V209 HydrophobicContact CD1-CG2 3.86Å; V209-Y235 HydrophobicContact CG1-CD1 4.14Å; V209-I237 HydrophobicContact CG1-CG1 4.12Å; V209-I237 HydrophobicContact CG2-CG1 4.22Å; V209-I237 HydrophobicContact CG2-CG2 4.31Å
210	Y	98.9	Very high	95.4	Very high	12 Å²	12	59.6 Å²	59.6	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.2	172.5	-54.3	-100.7	0	0	0	109.3	F57 A62 F66 I90 N91 Y235 V236	F57-Y210 HydrophobicContact CE1-CE2 4.45Å; F57-Y210 AromaticContact CZ-CE2 3.78Å; F57-Y210 HydrophobicContact CZ-CE2 3.78Å; A62-Y210 HydrophobicContact CB-CD1 4.35Å; A62-Y210 HydrophobicContact CB-CE1 3.6Å; A62-Y210 HydrophobicContact CB-CE2 4.33Å; F66-Y210 HydrophobicContact CE2-CD1 4.46Å; F66-Y210 AromaticContact CE2-CD2 3.49Å; F66-Y210 HydrophobicContact CE2-CD2 3.49Å; F66-Y210 VanDerWaalsContact CE2-CD2 3.49Å; F66-Y210 AromaticContact CE2-CE2 3.83Å; F66-Y210 HydrophobicContact CE2-CE2 3.83Å; F66-Y210 AromaticContact CE2-CG 3.86Å; F66-Y210 HydrophobicContact CE2-CG 3.86Å; F66-Y210 AromaticContact CZ-CD2 3.79Å; F66-Y210 HydrophobicContact CZ-CD2 3.79Å; F66-Y210 HydrophobicContact CZ-CE2 4.22Å; F66-Y210 HydrophobicContact CZ-CG 4.47Å; I90-Y210 HydrophobicContact CB-CD1 4.48Å; I90-Y210 HydrophobicContact CD1-CD1 4.03Å; I90-Y210 HydrophobicContact CD1-CE1 4.37Å; I90-Y210 HydrophobicContact CG1-CD1 4.47Å; N91-Y210 CarbonylContact O-C 3.45Å; N91-Y210 VanDerWaalsContact O-CA 3.22Å; N91-Y210 WeakPolarHBondContact O-CA 3.28Å; Y210-Y235 CarbonylContact O-C 3.56Å; Y210-Y235 VanDerWaalsContact O-CA 3.22Å; Y210-Y235 WeakPolarHBondContact O-CA 3.47Å; Y210-V236 HydrophobicContact CD2-CG2 4.41Å; Y210-V236 HydrophobicContact CG-CG2 4.5Å; Y210-V236 PolarHBondContact N-O 2.7Å; Y210-V236 PolarHBondContact O-N 3.08Å
211	E	98.8	Very high	95.6	Very high	35 Å²	35	57 Å²	57	16%	0.164	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	139.6	161.7	174.6	173.5	-132.6	0	0	107.9	I90 N91 V93 R159 A234 Y235	I90-E211 CarbonylContact C-O 3.46Å; I90-E211 VanDerWaalsContact CA-O 3.22Å; I90-E211 WeakPolarHBondContact CA-O 3.36Å; N91-E211 PolarHBondContact N-O 3.16Å; N91-E211 PolarHBondContact O-N 3.27Å; V93-E211 HydrophobicContact CG2-CB 3.97Å; V93-E211 VanDerWaalsContact CG2-N 3.34Å; R159-E211 IonicContact CZ-OE2 2.72Å; R159-E211 IonicContact NH1-OE2 3.64Å; R159-E211 IonicContact NH2-OE1 2.69Å; R159-E211 PolarHBondContact NH2-OE1 3.28Å; R159-E211 IonicContact NH2-OE2 3.2Å; R159-E211 PolarHBondContact NH2-OE2 3.13Å; E211-A234 WeakPolarHBondContact CA-O 3.43Å; E211-Y235 HydrophobicContact CB-CD1 4.1Å; E211-Y235 HydrophobicContact CB-CE1 3.93Å; E211-Y235 HydrophobicContact CG-CE1 4.47Å
212	V	98.7	Very high	95.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.2	-177	64	0	0	0	0	112.3	F70 V88 K89 I90 V214 F223 A234 V236	F70-V212 HydrophobicContact CD2-CG2 4.37Å; F70-V212 HydrophobicContact CE2-CB 4.47Å; F70-V212 HydrophobicContact CE2-CG1 4.38Å; F70-V212 HydrophobicContact CE2-CG2 3.6Å; F70-V212 HydrophobicContact CZ-CG1 4Å; F70-V212 HydrophobicContact CZ-CG2 3.93Å; V88-V212 HydrophobicContact CG1-CG2 3.68Å; K89-V212 WeakPolarHBondContact O-CA 3.23Å; I90-V212 HydrophobicContact CG2-CB 4.24Å; I90-V212 HydrophobicContact CG2-CG2 3.97Å; V212-V214 HydrophobicContact CG2-CG2 4.1Å; V212-F223 HydrophobicContact CG1-CE1 4.38Å; V212-A234 HydrophobicContact CG1-CB 3.77Å; V212-A234 PolarHBondContact N-O 3.08Å; V212-V236 HydrophobicContact CB-CG2 4.47Å; V212-V236 HydrophobicContact CG1-CG1 3.9Å
213	R	98.3	Very high	96.2	Very high	94 Å²	94	50.1 Å²	50.1	36%	0.355	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.6	163.7	-65.7	-178.7	-179.7	173.5	-0.2	108.7	K89 Y215 M221	K89-R213 PolarHBondContact N-O 3.18Å; K89-R213 PolarHBondContact O-N 2.97Å; R213-Y215 HydrophobicContact CB-CE2 3.63Å; R213-M221 HydrophobicContact CB-SD 4.47Å; R213-M221 HydrophobicContact CG-CE 4.45Å; R213-M221 HydrophobicContact CG-SD 4.3Å
214	V	98.3	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.4	-178.9	-169.3	0	0	0	0	108.6	F70 T86 V88 V212 M221 V222 F223	F70-V214 HydrophobicContact CB-CG1 4.37Å; F70-V214 HydrophobicContact CB-CG2 4.44Å; F70-V214 HydrophobicContact CD1-CG2 3.61Å; F70-V214 HydrophobicContact CD2-CG2 4.05Å; F70-V214 HydrophobicContact CE1-CG2 3.74Å; F70-V214 HydrophobicContact CE2-CG2 4.22Å; F70-V214 HydrophobicContact CG-CG2 3.77Å; F70-V214 HydrophobicContact CZ-CG2 4.06Å; T86-V214 VanDerWaalsContact CB-CG1 3.5Å; T86-V214 HydrophobicContact CG2-CG1 3.64Å; V88-V214 HydrophobicContact CG2-CG1 4.38Å; V212-V214 HydrophobicContact CG2-CG2 4.1Å; V214-M221 WeakPolarHBondContact O-CA 3.46Å; V214-V222 HydrophobicContact CB-CG2 4.12Å; V214-V222 HydrophobicContact CG1-CG2 3.89Å; V214-V222 WeakPolarHBondContact O-CG2 3.39Å; V214-V222 PolarHBondContact O-N 3.07Å; V214-F223 HydrophobicContact CB-CB 3.89Å; V214-F223 HydrophobicContact CG2-CB 3.98Å; V214-F223 HydrophobicContact CG2-CD1 4.06Å; V214-F223 HydrophobicContact CG2-CG 4.46Å; V214-F223 PolarHBondContact N-O 3.06Å; V214-F223 PolarHBondContact O-N 2.78Å
215	Y	97.6	Very high	96.4	Very high	23 Å²	23	43.4 Å²	43.4	9%	0.09	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.4	179.6	-54.9	-100.3	0	0	0	110.3	T86 I87 K89 R213 N219 N220 M221	T86-Y215 CarbonylContact C-O 3.59Å; T86-Y215 WeakPolarHBondContact CA-O 3.15Å; I87-Y215 PolarHBondContact N-O 3.42Å; I87-Y215 PolarHBondContact O-N 3.41Å; K89-Y215 HydrophobicContact CB-CE2 4.33Å; K89-Y215 HydrophobicContact CD-CD2 4.3Å; K89-Y215 HydrophobicContact CD-CE2 3.67Å; K89-Y215 HydrophobicContact CG-CD2 4.29Å; K89-Y215 HydrophobicContact CG-CE2 3.97Å; R213-Y215 HydrophobicContact CB-CE2 3.63Å; Y215-N219 WeakPolarHBondContact CD1-O 3.3Å; Y215-N220 CarbonylContact C-O 3.55Å; Y215-N220 WeakPolarHBondContact CA-O 3.3Å; Y215-N220 WeakPolarHBondContact CB-O 3.43Å; Y215-M221 HydrophobicContact CD1-CB 3.94Å; Y215-M221 HydrophobicContact CD1-CG 4.42Å; Y215-M221 HydrophobicContact CE1-CB 3.8Å; Y215-M221 HydrophobicContact CE1-CE 4.04Å; Y215-M221 HydrophobicContact CE1-CG 4.14Å
216	D	94.1	Very high	96.3	Very high	29 Å²	29	46.5 Å²	46.5	16%	0.155	23%	0.234	C	C	.	.			trans	-79.5	178.8	167.8	67.5	14.9	0	0	0	111.6	T84 Q218 N219 N220 V222	T84-D216 HydrophobicContact CG2-CB 4.31Å; D216-Q218 PolarHBondContact O-N 3.41Å; D216-Q218 VanDerWaalsContact O-N 3.15Å; D216-Q218 VanDerWaalsContact OD1-C 3.26Å; D216-Q218 VanDerWaalsContact OD1-CA 3.28Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.31Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.45Å; D216-Q218 PolarHBondContact OD1-N 3.08Å; D216-N219 PolarHBondContact O-N 3.27Å; D216-N219 PolarHBondContact OD1-N 3.36Å; D216-N220 PolarHBondContact N-O 2.78Å; D216-N220 PolarHBondContact OD1-N 3.01Å; D216-N220 PolarHBondContact OD1-ND2 3.38Å; D216-N220 WeakPolarHBondContact OD2-CB 3.32Å; D216-N220 PolarHBondContact OD2-ND2 2.83Å; D216-V222 HydrophobicContact CB-CG1 4Å
217	E	92.7	Very high	96.2	Very high	131 Å²	131	52.4 Å²	52.4	61%	0.612	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.1	177	-60.9	-172.9	116.6	0	0	113.8	K85	K85-E217 HydrophobicContact CB-CG 4.27Å
218	Q	93.2	Very high	96	Very high	155 Å²	155	58.4 Å²	58.4	72%	0.724	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	4.3	175.6	-62.2	179.4	11.1	0	0	112.5	D216 N220	D216-Q218 PolarHBondContact O-N 3.41Å; D216-Q218 VanDerWaalsContact O-N 3.15Å; D216-Q218 VanDerWaalsContact OD1-C 3.26Å; D216-Q218 VanDerWaalsContact OD1-CA 3.28Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.31Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.45Å; D216-Q218 PolarHBondContact OD1-N 3.08Å; Q218-N220 VanDerWaalsContact C-N 3.29Å; Q218-N220 WeakPolarHBondContact CB-ND2 3.05Å
219	N	92.9	Very high	95.9	Very high	103 Å²	103	55.3 Å²	55.3	55%	0.551	28%	0.276	S	S	*	.			trans	65.2	21.8	-174.7	-60.8	-77.9	0	0	0	115	Y215 D216	Y215-N219 WeakPolarHBondContact CD1-O 3.3Å; D216-N219 PolarHBondContact O-N 3.27Å; D216-N219 PolarHBondContact OD1-N 3.36Å
220	N	94	Very high	95.8	Very high	82 Å²	82	57.7 Å²	57.7	44%	0.439	29%	0.289	S	S	.	.			trans	-80.9	134.9	168.8	-53	-59.2	0	0	0	109.4	Y215 D216 Q218 V222	Y215-N220 CarbonylContact C-O 3.55Å; Y215-N220 WeakPolarHBondContact CA-O 3.3Å; Y215-N220 WeakPolarHBondContact CB-O 3.43Å; D216-N220 PolarHBondContact N-O 2.78Å; D216-N220 PolarHBondContact OD1-N 3.01Å; D216-N220 PolarHBondContact OD1-ND2 3.38Å; D216-N220 WeakPolarHBondContact OD2-CB 3.32Å; D216-N220 PolarHBondContact OD2-ND2 2.83Å; Q218-N220 VanDerWaalsContact C-N 3.29Å; Q218-N220 WeakPolarHBondContact CB-ND2 3.05Å; N220-V222 PolarHBondContact O-N 2.98Å
221	M	95	Very high	95.7	Very high	19 Å²	19	57.1 Å²	57.1	9%	0.094	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	122.8	175.7	-165	-178.6	-47	0	0	109.6	R213 V214 Y215 S225 S226 E228	R213-M221 HydrophobicContact CB-SD 4.47Å; R213-M221 HydrophobicContact CG-CE 4.45Å; R213-M221 HydrophobicContact CG-SD 4.3Å; V214-M221 WeakPolarHBondContact O-CA 3.46Å; Y215-M221 HydrophobicContact CD1-CB 3.94Å; Y215-M221 HydrophobicContact CD1-CG 4.42Å; Y215-M221 HydrophobicContact CE1-CB 3.8Å; Y215-M221 HydrophobicContact CE1-CE 4.04Å; Y215-M221 HydrophobicContact CE1-CG 4.14Å; M221-S225 WeakPolarHBondContact CG-O 3.39Å; M221-S226 WeakPolarHBondContact O-CA 3.35Å; M221-E228 HydrophobicContact CE-CG 3.87Å; M221-E228 WeakPolarHBondContact CE-OE1 3.2Å
222	V	95.9	Very high	95.7	Very high	32 Å²	32	56.1 Å²	56.1	19%	0.194	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-16.9	179.3	-64.8	0	0	0	0	112.6	I81 P82 V214 D216 N220	I81-V222 HydrophobicContact CG2-CG2 3.91Å; P82-V222 HydrophobicContact CG-CG1 4.37Å; V214-V222 HydrophobicContact CB-CG2 4.12Å; V214-V222 HydrophobicContact CG1-CG2 3.89Å; V214-V222 WeakPolarHBondContact O-CG2 3.39Å; V214-V222 PolarHBondContact O-N 3.07Å; D216-V222 HydrophobicContact CB-CG1 4Å; N220-V222 PolarHBondContact O-N 2.98Å
223	F	98	Very high	95.7	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	137.3	174.6	-176.1	-98.4	0	0	0	111.6	F70 L79 I81 V212 V214 A234 I247 Y249	F70-F223 HydrophobicContact CE1-CD1 4.06Å; F70-F223 HydrophobicContact CE1-CE1 4.19Å; F70-F223 HydrophobicContact CZ-CE1 4.44Å; L79-F223 HydrophobicContact CB-CD2 4.25Å; L79-F223 HydrophobicContact CB-CE2 4.19Å; L79-F223 HydrophobicContact CD1-CD2 4.39Å; L79-F223 HydrophobicContact CD1-CE1 4.48Å; L79-F223 HydrophobicContact CD1-CE2 4.08Å; L79-F223 HydrophobicContact CD1-CZ 4.13Å; L79-F223 HydrophobicContact CD2-CE2 4.07Å; L79-F223 HydrophobicContact CD2-CZ 4.33Å; L79-F223 HydrophobicContact CG-CE2 4.34Å; I81-F223 HydrophobicContact CD1-CB 3.83Å; I81-F223 HydrophobicContact CD1-CD2 4.28Å; I81-F223 HydrophobicContact CD1-CG 4.06Å; I81-F223 HydrophobicContact CG1-CB 4.04Å; I81-F223 HydrophobicContact CG1-CD2 4.4Å; I81-F223 HydrophobicContact CG1-CG 4.47Å; V212-F223 HydrophobicContact CG1-CE1 4.38Å; V214-F223 HydrophobicContact CB-CB 3.89Å; V214-F223 HydrophobicContact CG2-CB 3.98Å; V214-F223 HydrophobicContact CG2-CD1 4.06Å; V214-F223 HydrophobicContact CG2-CG 4.46Å; V214-F223 PolarHBondContact N-O 3.06Å; V214-F223 PolarHBondContact O-N 2.78Å; F223-A234 HydrophobicContact CD1-CB 4.14Å; F223-A234 HydrophobicContact CE1-CB 3.45Å; F223-A234 VanDerWaalsContact CE1-CB 3.45Å; F223-A234 HydrophobicContact CZ-CB 4.06Å; F223-I247 HydrophobicContact CE1-CG2 4.13Å; F223-I247 HydrophobicContact CZ-CG2 3.8Å; F223-Y249 HydrophobicContact CE2-CD1 4.06Å; F223-Y249 AromaticContact CE2-CD2 3.92Å; F223-Y249 HydrophobicContact CE2-CD2 3.92Å; F223-Y249 HydrophobicContact CE2-CE1 4.07Å; F223-Y249 AromaticContact CE2-CE2 3.95Å; F223-Y249 HydrophobicContact CE2-CE2 3.95Å; F223-Y249 AromaticContact CE2-CG 3.97Å; F223-Y249 HydrophobicContact CE2-CG 3.97Å; F223-Y249 AromaticContact CZ-CD1 3.67Å; F223-Y249 HydrophobicContact CZ-CD1 3.67Å; F223-Y249 HydrophobicContact CZ-CD2 4.03Å; F223-Y249 HydrophobicContact CZ-CE1 4.09Å; F223-Y249 HydrophobicContact CZ-CE2 4.44Å; F223-Y249 AromaticContact CZ-CG 3.62Å; F223-Y249 HydrophobicContact CZ-CG 3.62Å
224	P	97.1	Very high	95.7	Very high	11 Å²	11	51.9 Å²	51.9	7%	0.071	27%	0.267	C	S	.	.	S	Bend	cis	-75.5	-23.3	2.5	30.4	-36.6	0	0	0	115.1	T232 A234 Y249 I251	P224-T232 HydrophobicContact CB-CG2 4.45Å; P224-T232 HydrophobicContact CG-CG2 3.61Å; P224-A234 HydrophobicContact CB-CB 4.15Å; P224-A234 HydrophobicContact CG-CB 4.12Å; P224-Y249 HydrophobicContact CB-CD2 4.1Å; P224-I251 HydrophobicContact CB-CG1 4.14Å; P224-I251 WeakPolarHBondContact O-CD1 3.42Å
225	S	96	Very high	95.7	Very high	21 Å²	21	51.9 Å²	51.9	15%	0.147	27%	0.267	C	S	.	.			trans	-155.2	156.3	179	-179.8	0	0	0	0	109.7	M221 E227	M221-S225 WeakPolarHBondContact CG-O 3.39Å; S225-E227 VanDerWaalsContact C-N 3.26Å; S225-E227 PolarHBondContact OG-N 2.78Å; S225-E227 VanDerWaalsContact OG-N 3.16Å
226	S	93.6	Very high	95.8	Very high	96 Å²	96	50.8 Å²	50.8	67%	0.671	26%	0.263	S	S	*	.	S	Bend	trans	-72.2	-22	169.1	54.5	0	0	0	0	112.9	M221	M221-S226 WeakPolarHBondContact O-CA 3.35Å
227	E	92.1	Very high	96	Very high	142 Å²	142	49.5 Å²	49.5	66%	0.664	26%	0.256	S	S	*	.	S	Bend	trans	-90.6	121.7	177	-66.4	-176.7	176.2	0	0	110.7	S225	S225-E227 VanDerWaalsContact C-N 3.26Å; S225-E227 PolarHBondContact OG-N 2.78Å; S225-E227 VanDerWaalsContact OG-N 3.16Å
228	E	93	Very high	96.3	Very high	135 Å²	135	43.2 Å²	43.2	63%	0.631	23%	0.227	S	C	*	.			trans	-81.9	134.9	176	-63.8	-161.5	167.3	0	0	111	M221	M221-E228 HydrophobicContact CE-CG 3.87Å; M221-E228 WeakPolarHBondContact CE-OE1 3.2Å
229	H	96.7	Very high	96.4	Very high	34 Å²	34	36 Å²	36	16%	0.157	19%	0.193	C	C	.	.			trans	-153	151	168.4	-177.3	-98	0	0	0	108.1	E125 S126 N231 T232 F252	E125-H229 PolarHBondContact O-NE2 3.4Å; S126-H229 PolarHBondContact OG-NE2 2.89Å; H229-N231 PolarHBondContact ND1-N 2.88Å; H229-N231 PolarHBondContact O-N 3.32Å; H229-T232 WeakPolarHBondContact O-CB 3.29Å; H229-T232 PolarHBondContact O-N 2.76Å; H229-F252 HydrophobicContact CB-CB 3.79Å; H229-F252 HydrophobicContact CB-CD1 4.04Å; H229-F252 HydrophobicContact CB-CG 4.1Å; H229-F252 AromaticContact CD2-CD1 3.61Å; H229-F252 AromaticContact CD2-CE1 3.71Å; H229-F252 AromaticContact CE1-CD1 3.63Å; H229-F252 AromaticContact CE1-CD2 3.32Å; H229-F252 WeakPolarHBondContact CE1-CD2 3.49Å; H229-F252 AromaticContact CE1-CE1 3.63Å; H229-F252 AromaticContact CE1-CE2 3.31Å; H229-F252 WeakPolarHBondContact CE1-CE2 3.46Å; H229-F252 AromaticContact CE1-CG 3.46Å; H229-F252 VanDerWaalsContact CE1-CG 3.46Å; H229-F252 WeakPolarHBondContact CE1-CG 3.31Å; H229-F252 AromaticContact CE1-CZ 3.45Å; H229-F252 VanDerWaalsContact CE1-CZ 3.45Å; H229-F252 WeakPolarHBondContact CE1-CZ 3.19Å; H229-F252 AromaticContact CG-CD1 3.41Å; H229-F252 VanDerWaalsContact CG-CD1 3.41Å; H229-F252 AromaticContact CG-CE1 3.98Å; H229-F252 AromaticContact CG-CG 3.5Å; H229-F252 VanDerWaalsContact CG-CG 3.5Å; H229-F252 WeakPolarHBondContact ND1-CB 3.28Å; H229-F252 AromaticContact ND1-CD1 3.43Å; H229-F252 WeakPolarHBondContact ND1-CD1 3.48Å; H229-F252 AromaticContact ND1-CD2 3.3Å; H229-F252 VanDerWaalsContact ND1-CD2 3.3Å; H229-F252 WeakPolarHBondContact ND1-CD2 3.31Å; H229-F252 AromaticContact ND1-CE1 3.93Å; H229-F252 AromaticContact ND1-CE2 3.81Å; H229-F252 AromaticContact ND1-CG 3.05Å; H229-F252 WeakPolarHBondContact ND1-CG 3.38Å; H229-F252 AromaticContact NE2-CD1 3.77Å; H229-F252 AromaticContact NE2-CE1 3.51Å; H229-F252 AromaticContact NE2-CE2 3.93Å; H229-F252 AromaticContact NE2-CZ 3.57Å
230	L	96.3	Very high	96.4	Very high	54 Å²	54	33.1 Å²	33.1	28%	0.283	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.7	-177.1	73.2	116.1	0	0	0	114.2	E125 I127 L138 I166	E125-L230 HydrophobicContact CB-CD2 3.24Å; E125-L230 HydrophobicContact CG-CD2 4Å; I127-L230 HydrophobicContact CD1-CD1 3.63Å; I127-L230 HydrophobicContact CD1-CD2 3.54Å; I127-L230 HydrophobicContact CD1-CG 3.92Å; I127-L230 HydrophobicContact CG1-CD2 4.27Å; L138-L230 HydrophobicContact CD2-CD1 3.66Å; I166-L230 HydrophobicContact CD1-CD1 3.48Å; I166-L230 VanDerWaalsContact CD1-CD1 3.48Å; I166-L230 HydrophobicContact CG1-CD1 4.37Å
231	N	97.5	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	10.6	174.3	-144.4	34.8	0	0	0	113.7	H163 I166 G167 H229 F233 H250 F252	H163-N231 VanDerWaalsContact CA-OD1 3.23Å; H163-N231 WeakPolarHBondContact CA-OD1 3.45Å; H163-N231 WeakPolarHBondContact CB-OD1 3.37Å; H163-N231 PolarHBondContact ND1-OD1 3.01Å; H163-N231 PolarHBondContact O-ND2 3.3Å; I166-N231 HydrophobicContact CB-CB 4.35Å; I166-N231 HydrophobicContact CG2-CB 3.71Å; G167-N231 PolarHBondContact N-ND2 3.16Å; G167-N231 PolarHBondContact O-ND2 3.3Å; H229-N231 PolarHBondContact ND1-N 2.88Å; H229-N231 PolarHBondContact O-N 3.32Å; N231-F233 WeakPolarHBondContact O-CD1 3.19Å; N231-H250 PolarHBondContact O-ND1 2.8Å; N231-F252 HydrophobicContact CB-CD2 4.07Å
232	T	98.3	Very high	96.2	Very high	14 Å²	14	39 Å²	39	9%	0.086	21%	0.206	C	C	.	.			trans	-88.5	111.2	162.3	-69.5	0	0	0	0	107.6	P224 H229 H250 F252	P224-T232 HydrophobicContact CB-CG2 4.45Å; P224-T232 HydrophobicContact CG-CG2 3.61Å; H229-T232 WeakPolarHBondContact O-CB 3.29Å; H229-T232 PolarHBondContact O-N 2.76Å; T232-H250 CarbonylContact C-O 3.56Å; T232-H250 WeakPolarHBondContact CA-O 3.23Å; T232-F252 WeakPolarHBondContact OG1-CB 3.16Å; T232-F252 PolarHBondContact OG1-N 2.75Å
233	F	98.5	Very high	96.2	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.022	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.8	-172.9	62.7	-99.4	0	0	0	111.6	L46 H163 N231 Y235 F248 Y249 H250	L46-F233 HydrophobicContact CD1-CE2 4.36Å; L46-F233 HydrophobicContact CD1-CZ 3.93Å; H163-F233 HydrophobicContact CB-CD1 4.17Å; H163-F233 HydrophobicContact CB-CE1 3.42Å; H163-F233 VanDerWaalsContact CB-CE1 3.42Å; H163-F233 HydrophobicContact CB-CZ 3.82Å; H163-F233 AromaticContact CD2-CD1 3.68Å; H163-F233 AromaticContact CD2-CE1 3.64Å; H163-F233 AromaticContact CD2-CG 3.94Å; H163-F233 AromaticContact CD2-CZ 3.87Å; H163-F233 AromaticContact CE1-CD1 3.37Å; H163-F233 WeakPolarHBondContact CE1-CD1 3.38Å; H163-F233 AromaticContact CE1-CE1 3.98Å; H163-F233 AromaticContact CE1-CG 3.76Å; H163-F233 AromaticContact CG-CD1 3.47Å; H163-F233 VanDerWaalsContact CG-CD1 3.47Å; H163-F233 AromaticContact CG-CE1 3.23Å; H163-F233 AromaticContact CG-CZ 3.8Å; H163-F233 AromaticContact ND1-CD1 3.27Å; H163-F233 VanDerWaalsContact ND1-CD1 3.27Å; H163-F233 WeakPolarHBondContact ND1-CD1 3.36Å; H163-F233 AromaticContact ND1-CE1 3.48Å; H163-F233 WeakPolarHBondContact ND1-CE1 3.41Å; H163-F233 AromaticContact NE2-CD1 3.64Å; H163-F233 AromaticContact NE2-CG 3.67Å; N231-F233 WeakPolarHBondContact O-CD1 3.19Å; F233-Y235 HydrophobicContact CB-CE2 4.18Å; F233-Y235 AromaticContact CD2-CD2 3.54Å; F233-Y235 HydrophobicContact CD2-CD2 3.54Å; F233-Y235 AromaticContact CD2-CE2 3.31Å; F233-Y235 HydrophobicContact CD2-CE2 3.31Å; F233-Y235 AromaticContact CE2-CD2 3.99Å; F233-Y235 HydrophobicContact CE2-CD2 3.99Å; F233-Y235 AromaticContact CE2-CE2 3.86Å; F233-Y235 HydrophobicContact CE2-CE2 3.86Å; F233-Y235 HydrophobicContact CG-CD2 4.49Å; F233-Y235 AromaticContact CG-CE2 3.9Å; F233-Y235 HydrophobicContact CG-CE2 3.9Å; F233-F248 HydrophobicContact CE2-CD1 4.02Å; F233-F248 AromaticContact CE2-CE1 3.67Å; F233-F248 HydrophobicContact CE2-CE1 3.67Å; F233-F248 HydrophobicContact CE2-CZ 4.3Å; F233-F248 HydrophobicContact CZ-CE1 4.17Å; F233-F248 HydrophobicContact CZ-CZ 4.48Å; F233-Y249 CarbonylContact O-C 3.55Å; F233-Y249 WeakPolarHBondContact O-CA 3.47Å; F233-Y249 VanDerWaalsContact O-CB 3.26Å; F233-Y249 WeakPolarHBondContact O-CB 3.21Å; F233-H250 HydrophobicContact CD1-CB 3.85Å; F233-H250 HydrophobicContact CD2-CB 4.3Å; F233-H250 HydrophobicContact CE1-CB 3.31Å; F233-H250 AromaticContact CE1-CG 3.95Å; F233-H250 HydrophobicContact CE2-CB 3.84Å; F233-H250 HydrophobicContact CG-CB 4.33Å; F233-H250 HydrophobicContact CZ-CB 3.32Å; F233-H250 PolarHBondContact N-O 3.47Å; F233-H250 PolarHBondContact O-N 2.78Å
234	A	98.8	Very high	96.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	135.8	168.4	0	0	0	0	0	110.6	E211 V212 F223 P224	E211-A234 WeakPolarHBondContact CA-O 3.43Å; V212-A234 HydrophobicContact CG1-CB 3.77Å; V212-A234 PolarHBondContact N-O 3.08Å; F223-A234 HydrophobicContact CD1-CB 4.14Å; F223-A234 HydrophobicContact CE1-CB 3.45Å; F223-A234 VanDerWaalsContact CE1-CB 3.45Å; F223-A234 HydrophobicContact CZ-CB 4.06Å; P224-A234 HydrophobicContact CB-CB 4.15Å; P224-A234 HydrophobicContact CG-CB 4.12Å
235	Y	98.9	Very high	96.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.7	174.6	-61.9	-78.8	0	0	0	110.1	V93 F156 R159 H163 V209 Y210 E211 F233 I247 F248	V93-Y235 HydrophobicContact CG2-CD1 4.19Å; V93-Y235 HydrophobicContact CG2-CE1 4.02Å; F156-Y235 HydrophobicContact CD2-CD1 4.12Å; F156-Y235 HydrophobicContact CD2-CE1 4.15Å; F156-Y235 HydrophobicContact CD2-CG 4.35Å; F156-Y235 AromaticContact CE2-CD1 3.85Å; F156-Y235 HydrophobicContact CE2-CD1 3.85Å; F156-Y235 AromaticContact CE2-CD2 3.7Å; F156-Y235 HydrophobicContact CE2-CD2 3.7Å; F156-Y235 HydrophobicContact CE2-CE1 4.13Å; F156-Y235 AromaticContact CE2-CE2 3.97Å; F156-Y235 HydrophobicContact CE2-CE2 3.97Å; F156-Y235 AromaticContact CE2-CG 3.62Å; F156-Y235 HydrophobicContact CE2-CG 3.62Å; F156-Y235 HydrophobicContact CZ-CD2 4.5Å; F156-Y235 HydrophobicContact CZ-CG 4.47Å; R159-Y235 VanDerWaalsContact CZ-OH 3.31Å; R159-Y235 PolarHBondContact NE-OH 3.03Å; R159-Y235 PolarHBondContact NH2-OH 3.16Å; H163-Y235 AromaticContact CD2-CE2 3.81Å; H163-Y235 AromaticContact NE2-CE2 3.58Å; H163-Y235 AromaticContact NE2-CZ 3.57Å; H163-Y235 PolarHBondContact NE2-OH 2.94Å; V209-Y235 HydrophobicContact CG1-CD1 4.14Å; Y210-Y235 CarbonylContact O-C 3.56Å; Y210-Y235 VanDerWaalsContact O-CA 3.22Å; Y210-Y235 WeakPolarHBondContact O-CA 3.47Å; E211-Y235 HydrophobicContact CB-CD1 4.1Å; E211-Y235 HydrophobicContact CB-CE1 3.93Å; E211-Y235 HydrophobicContact CG-CE1 4.47Å; F233-Y235 HydrophobicContact CB-CE2 4.18Å; F233-Y235 AromaticContact CD2-CD2 3.54Å; F233-Y235 HydrophobicContact CD2-CD2 3.54Å; F233-Y235 AromaticContact CD2-CE2 3.31Å; F233-Y235 HydrophobicContact CD2-CE2 3.31Å; F233-Y235 AromaticContact CE2-CD2 3.99Å; F233-Y235 HydrophobicContact CE2-CD2 3.99Å; F233-Y235 AromaticContact CE2-CE2 3.86Å; F233-Y235 HydrophobicContact CE2-CE2 3.86Å; F233-Y235 HydrophobicContact CG-CD2 4.49Å; F233-Y235 AromaticContact CG-CE2 3.9Å; F233-Y235 HydrophobicContact CG-CE2 3.9Å; Y235-I247 CarbonylContact O-C 3.52Å; Y235-I247 WeakPolarHBondContact O-CA 3.05Å; Y235-F248 HydrophobicContact CD2-CD1 4.07Å; Y235-F248 PolarHBondContact N-O 3.5Å; Y235-F248 PolarHBondContact O-N 2.77Å
236	V	98.8	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.7	166.5	-68.7	0	0	0	0	108.6	F66 F70 Y210 V212 V245 I246 I247	F66-V236 HydrophobicContact CD1-CB 4.36Å; F66-V236 HydrophobicContact CD1-CG2 3.93Å; F66-V236 HydrophobicContact CD2-CG2 4.35Å; F66-V236 HydrophobicContact CE1-CB 3.66Å; F66-V236 HydrophobicContact CE1-CG1 4.22Å; F66-V236 HydrophobicContact CE1-CG2 3.37Å; F66-V236 HydrophobicContact CE2-CG2 3.84Å; F66-V236 HydrophobicContact CG-CG2 4.39Å; F66-V236 HydrophobicContact CZ-CB 3.96Å; F66-V236 HydrophobicContact CZ-CG2 3.3Å; F70-V236 HydrophobicContact CE2-CG1 4.17Å; F70-V236 HydrophobicContact CZ-CG1 3.93Å; Y210-V236 HydrophobicContact CD2-CG2 4.41Å; Y210-V236 HydrophobicContact CG-CG2 4.5Å; Y210-V236 PolarHBondContact N-O 2.7Å; Y210-V236 PolarHBondContact O-N 3.08Å; V212-V236 HydrophobicContact CB-CG2 4.47Å; V212-V236 HydrophobicContact CG1-CG1 3.9Å; V236-V245 HydrophobicContact CB-CG1 4.14Å; V236-V245 HydrophobicContact CG1-CG1 4.34Å; V236-I246 CarbonylContact C-O 3.5Å; V236-I246 WeakPolarHBondContact CA-O 3.07Å; V236-I247 HydrophobicContact CG1-CG1 4.25Å
237	I	98.8	Very high	96.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	110.3	-174.7	-56.5	160.8	0	0	0	107.4	F156 L191 I192 Y208 V209 I246 F248	F156-I237 HydrophobicContact CE1-CD1 4.17Å; F156-I237 HydrophobicContact CZ-CD1 4.05Å; L191-I237 HydrophobicContact CB-CD1 3.94Å; L191-I237 HydrophobicContact CD1-CD1 4.07Å; L191-I237 HydrophobicContact CD2-CD1 4.42Å; L191-I237 HydrophobicContact CG-CD1 4.39Å; I192-I237 HydrophobicContact CD1-CD1 4.38Å; I192-I237 HydrophobicContact CD1-CG2 3.95Å; Y208-I237 CarbonylContact O-C 3.43Å; Y208-I237 WeakPolarHBondContact O-CA 3.29Å; V209-I237 HydrophobicContact CG1-CG1 4.12Å; V209-I237 HydrophobicContact CG2-CG1 4.22Å; V209-I237 HydrophobicContact CG2-CG2 4.31Å; I237-I246 HydrophobicContact CB-CB 4.2Å; I237-I246 PolarHBondContact N-O 3.46Å; I237-I246 PolarHBondContact O-N 2.99Å; I237-F248 HydrophobicContact CD1-CB 4.46Å
238	V	98.5	Very high	96.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.4	-178.6	-171.5	0	0	0	0	109.5	F53 F57 F66 S207 Y208 P240 N244 V245	F53-V238 HydrophobicContact CE1-CG1 3.96Å; F53-V238 HydrophobicContact CZ-CG1 3.87Å; F57-V238 HydrophobicContact CB-CG1 3.97Å; F57-V238 HydrophobicContact CD1-CB 4.24Å; F57-V238 HydrophobicContact CD1-CG1 3.72Å; F57-V238 HydrophobicContact CD2-CG1 4.03Å; F57-V238 HydrophobicContact CD2-CG2 4.3Å; F57-V238 HydrophobicContact CE1-CB 4.21Å; F57-V238 HydrophobicContact CE1-CG1 4.2Å; F57-V238 HydrophobicContact CE1-CG2 4.32Å; F57-V238 HydrophobicContact CE2-CG1 4.48Å; F57-V238 HydrophobicContact CE2-CG2 4.01Å; F57-V238 HydrophobicContact CG-CB 4.45Å; F57-V238 HydrophobicContact CG-CG1 3.62Å; F57-V238 HydrophobicContact CZ-CB 4.42Å; F57-V238 HydrophobicContact CZ-CG2 4.02Å; F66-V238 HydrophobicContact CE1-CG2 4.08Å; F66-V238 HydrophobicContact CZ-CG2 3.52Å; S207-V238 VanDerWaalsContact CA-O 3.28Å; S207-V238 WeakPolarHBondContact CA-O 3.5Å; Y208-V238 PolarHBondContact N-O 3.34Å; Y208-V238 PolarHBondContact O-N 3.21Å; V238-P240 WeakPolarHBondContact O-CD 3.14Å; V238-N244 WeakPolarHBondContact CA-O 3.47Å; V238-V245 HydrophobicContact CG2-CG2 4.38Å
239	D	95.9	Very high	97.1	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	100.7	163.3	-177.7	-24.1	0	0	0	107.7	C193 L241 K242 R243 N244	C193-D239 PolarHBondContact SG-OD2 3.45Å; D239-L241 VanDerWaalsContact C-N 3.27Å; D239-L241 PolarHBondContact O-N 3.03Å; D239-L241 PolarHBondContact OD1-N 2.85Å; D239-L241 VanDerWaalsContact OD1-N 3.07Å; D239-K242 HydrophobicContact CB-CB 4.31Å; D239-K242 PolarHBondContact OD1-N 2.75Å; D239-K242 WeakPolarHBondContact OD2-CD 3.37Å; D239-K242 VanDerWaalsContact OD2-CE 3.32Å; D239-K242 WeakPolarHBondContact OD2-CE 3.18Å; D239-K242 WeakPolarHBondContact OD2-CG 3.43Å; D239-K242 IonicContact OD2-NZ 2.81Å; D239-K242 PolarHBondContact OD2-NZ 2.85Å; D239-R243 WeakPolarHBondContact O-CA 3.44Å; D239-R243 PolarHBondContact O-N 3.49Å; D239-N244 PolarHBondContact N-O 3.43Å; D239-N244 PolarHBondContact O-N 2.81Å
240	P	93.3	Very high	97.2	Very high	41 Å²	41	24 Å²	24	27%	0.266	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.7	-175.7	29.7	-37.2	0	0	0	112.7	V206 Y208 V238	V206-P240 WeakPolarHBondContact O-CD 3.37Å; Y208-P240 HydrophobicContact CD2-CG 4.37Å; Y208-P240 HydrophobicContact CE2-CG 4.06Å; V238-P240 WeakPolarHBondContact O-CD 3.14Å
241	L	91.4	Very high	97.3	Very high	117 Å²	117	23.1 Å²	23.1	61%	0.613	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-43.4	-178.4	-62	177.6	0	0	0	110.9	V206 D239 R243	V206-L241 HydrophobicContact CG1-CD1 4.24Å; D239-L241 VanDerWaalsContact C-N 3.27Å; D239-L241 PolarHBondContact O-N 3.03Å; D239-L241 PolarHBondContact OD1-N 2.85Å; D239-L241 VanDerWaalsContact OD1-N 3.07Å; L241-R243 VanDerWaalsContact C-N 3.25Å
242	K	93.2	Very high	97.3	Very high	107 Å²	107	24.5 Å²	24.5	47%	0.465	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.2	174.7	-59.6	-174.1	-163.8	116	0	113.1	C193 D239 N244	C193-K242 PolarHBondContact SG-NZ 2.92Å; D239-K242 HydrophobicContact CB-CB 4.31Å; D239-K242 PolarHBondContact OD1-N 2.75Å; D239-K242 WeakPolarHBondContact OD2-CD 3.37Å; D239-K242 VanDerWaalsContact OD2-CE 3.32Å; D239-K242 WeakPolarHBondContact OD2-CE 3.18Å; D239-K242 WeakPolarHBondContact OD2-CG 3.43Å; D239-K242 IonicContact OD2-NZ 2.81Å; D239-K242 PolarHBondContact OD2-NZ 2.85Å; K242-N244 VanDerWaalsContact C-N 3.28Å; K242-N244 WeakPolarHBondContact CB-ND2 3.44Å; K242-N244 PolarHBondContact O-N 3.29Å; K242-N244 PolarHBondContact O-OD1 3.28Å
243	R	95.4	Very high	97.2	Very high	114 Å²	114	24.1 Å²	24.1	43%	0.43	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	50.1	-173.7	-55.8	179.4	173	-146.6	-6.8	112	T52 F53 D54 D239 L241	T52-R243 CarbonylContact C-O 3.58Å; T52-R243 VanDerWaalsContact CA-O 3.29Å; T52-R243 WeakPolarHBondContact CA-O 3.32Å; T52-R243 PolarHBondContact OG1-O 2.91Å; F53-R243 VanDerWaalsContact CD1-C 3.46Å; F53-R243 HydrophobicContact CD1-CB 4.47Å; F53-R243 VanDerWaalsContact CD1-O 3.26Å; F53-R243 WeakPolarHBondContact CD1-O 3.31Å; F53-R243 HydrophobicContact CD2-CB 4.12Å; F53-R243 HydrophobicContact CE1-CB 4.33Å; F53-R243 HydrophobicContact CE2-CB 3.93Å; F53-R243 HydrophobicContact CE2-CG 4.26Å; F53-R243 HydrophobicContact CG-CB 4.39Å; F53-R243 HydrophobicContact CZ-CB 4.05Å; F53-R243 PolarHBondContact N-O 2.95Å; F53-R243 VanDerWaalsContact O-CB 3.24Å; F53-R243 WeakPolarHBondContact O-CB 3.2Å; F53-R243 WeakPolarHBondContact O-CD 3.49Å; D54-R243 PolarHBondContact O-NH1 3.11Å; D239-R243 WeakPolarHBondContact O-CA 3.44Å; D239-R243 PolarHBondContact O-N 3.49Å; L241-R243 VanDerWaalsContact C-N 3.25Å
244	N	96.6	Very high	97.1	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.053	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.9	179.1	-68.1	-29.9	0	0	0	111.3	I20 R23 T50 F51 V238 D239 K242	I20-N244 WeakPolarHBondContact CD1-OD1 3.36Å; R23-N244 PolarHBondContact NH1-ND2 2.95Å; T50-N244 HydrophobicContact CG2-CB 3.97Å; F51-N244 CarbonylContact O-C 3.53Å; F51-N244 WeakPolarHBondContact O-CA 3.5Å; V238-N244 WeakPolarHBondContact CA-O 3.47Å; D239-N244 PolarHBondContact N-O 3.43Å; D239-N244 PolarHBondContact O-N 2.81Å; K242-N244 VanDerWaalsContact C-N 3.28Å; K242-N244 WeakPolarHBondContact CB-ND2 3.44Å; K242-N244 PolarHBondContact O-N 3.29Å; K242-N244 PolarHBondContact O-OD1 3.28Å
245	V	98.1	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.5	161.7	-177.2	0	0	0	0	107.4	T50 F51 F53 F65 F66 F69 V236 V238 I247	T50-V245 CarbonylContact C-O 3.6Å; T50-V245 WeakPolarHBondContact CA-O 3.37Å; F51-V245 PolarHBondContact N-O 2.63Å; F51-V245 PolarHBondContact O-N 2.82Å; F53-V245 HydrophobicContact CD1-CG2 3.78Å; F53-V245 HydrophobicContact CE1-CG2 3.84Å; F65-V245 HydrophobicContact CE1-CG2 3.78Å; F65-V245 HydrophobicContact CZ-CG2 3.89Å; F66-V245 HydrophobicContact CE1-CG1 4.23Å; F69-V245 HydrophobicContact CE1-CG1 4Å; F69-V245 HydrophobicContact CE2-CB 4.01Å; F69-V245 HydrophobicContact CE2-CG1 4.13Å; F69-V245 HydrophobicContact CE2-CG2 4.26Å; F69-V245 HydrophobicContact CZ-CB 4.01Å; F69-V245 HydrophobicContact CZ-CG1 3.68Å; V236-V245 HydrophobicContact CB-CG1 4.14Å; V236-V245 HydrophobicContact CG1-CG1 4.34Å; V238-V245 HydrophobicContact CG2-CG2 4.38Å; V245-I247 HydrophobicContact CG1-CG1 4.43Å
246	I	98.5	Very high	96.7	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.1	169.5	-53.6	170.2	0	0	0	107.2	Y25 V48 A49 T50 L191 V236 I237	Y25-I246 HydrophobicContact CE1-CD1 4.37Å; Y25-I246 HydrophobicContact CE1-CG2 4.3Å; Y25-I246 WeakPolarHBondContact OH-CG1 3.45Å; Y25-I246 VanDerWaalsContact OH-CG2 3.27Å; Y25-I246 WeakPolarHBondContact OH-CG2 3.44Å; V48-I246 HydrophobicContact CG1-CG2 3.55Å; A49-I246 CarbonylContact O-C 3.52Å; A49-I246 WeakPolarHBondContact O-CA 3.49Å; T50-I246 HydrophobicContact CG2-CG1 4.13Å; L191-I246 HydrophobicContact CD2-CG2 3.88Å; V236-I246 CarbonylContact C-O 3.5Å; V236-I246 WeakPolarHBondContact CA-O 3.07Å; I237-I246 HydrophobicContact CB-CB 4.2Å; I237-I246 PolarHBondContact N-O 3.46Å; I237-I246 PolarHBondContact O-N 2.99Å
247	I	98.5	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.1	169.9	-47.7	-174.4	0	0	0	107.2	V48 A49 F51 F69 L79 F223 Y235 V236 V245 Y249	V48-I247 CarbonylContact C-O 3.58Å; V48-I247 VanDerWaalsContact CA-O 3.24Å; V48-I247 WeakPolarHBondContact CA-O 3.41Å; A49-I247 PolarHBondContact N-O 3.22Å; A49-I247 PolarHBondContact O-N 2.84Å; F51-I247 HydrophobicContact CD2-CD1 4.03Å; F51-I247 HydrophobicContact CD2-CG1 4.1Å; F51-I247 HydrophobicContact CE2-CD1 3.5Å; F51-I247 HydrophobicContact CE2-CG1 3.91Å; F51-I247 HydrophobicContact CZ-CD1 4.32Å; F69-I247 HydrophobicContact CE1-CD1 3.44Å; F69-I247 VanDerWaalsContact CE1-CD1 3.44Å; F69-I247 HydrophobicContact CE1-CG1 3.95Å; F69-I247 HydrophobicContact CZ-CD1 3.57Å; F69-I247 HydrophobicContact CZ-CG1 3.93Å; L79-I247 HydrophobicContact CD1-CD1 3.41Å; L79-I247 VanDerWaalsContact CD1-CD1 3.41Å; L79-I247 HydrophobicContact CD2-CD1 4.01Å; L79-I247 HydrophobicContact CG-CD1 4.14Å; F223-I247 HydrophobicContact CE1-CG2 4.13Å; F223-I247 HydrophobicContact CZ-CG2 3.8Å; Y235-I247 CarbonylContact O-C 3.52Å; Y235-I247 WeakPolarHBondContact O-CA 3.05Å; V236-I247 HydrophobicContact CG1-CG1 4.25Å; V245-I247 HydrophobicContact CG1-CG1 4.43Å; I247-Y249 HydrophobicContact CG2-CD1 3.94Å
248	F	98.8	Very high	95.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115.7	176.3	172.7	-116.4	0	0	0	108.9	F27 L46 N47 V48 F156 L160 I187 L191 F233 Y235 I237	F27-F248 HydrophobicContact CZ-CE2 4.35Å; L46-F248 HydrophobicContact CD1-CD2 4.33Å; L46-F248 HydrophobicContact CD1-CE1 4.41Å; L46-F248 HydrophobicContact CD1-CE2 3.46Å; L46-F248 VanDerWaalsContact CD1-CE2 3.46Å; L46-F248 HydrophobicContact CD1-CZ 3.53Å; L46-F248 HydrophobicContact CD2-CE2 3.8Å; L46-F248 HydrophobicContact CD2-CZ 4.03Å; L46-F248 HydrophobicContact CG-CE2 3.61Å; L46-F248 HydrophobicContact CG-CZ 4.07Å; N47-F248 WeakPolarHBondContact O-CA 3.47Å; V48-F248 HydrophobicContact CG2-CD2 3.72Å; V48-F248 HydrophobicContact CG2-CE2 4.33Å; F156-F248 HydrophobicContact CZ-CD1 4.35Å; L160-F248 HydrophobicContact CD1-CE1 3.67Å; L160-F248 HydrophobicContact CD1-CZ 3.82Å; I187-F248 HydrophobicContact CG2-CE2 4.36Å; I187-F248 HydrophobicContact CG2-CZ 4.05Å; L191-F248 HydrophobicContact CD1-CB 4.13Å; L191-F248 HydrophobicContact CD1-CD1 3.84Å; L191-F248 HydrophobicContact CD1-CD2 4.03Å; L191-F248 HydrophobicContact CD1-CE1 4.18Å; L191-F248 HydrophobicContact CD1-CE2 4.3Å; L191-F248 HydrophobicContact CD1-CG 3.73Å; L191-F248 HydrophobicContact CD1-CZ 4.36Å; L191-F248 HydrophobicContact CD2-CB 4.49Å; F233-F248 HydrophobicContact CE2-CD1 4.02Å; F233-F248 AromaticContact CE2-CE1 3.67Å; F233-F248 HydrophobicContact CE2-CE1 3.67Å; F233-F248 HydrophobicContact CE2-CZ 4.3Å; F233-F248 HydrophobicContact CZ-CE1 4.17Å; F233-F248 HydrophobicContact CZ-CZ 4.48Å; Y235-F248 HydrophobicContact CD2-CD1 4.07Å; Y235-F248 PolarHBondContact N-O 3.5Å; Y235-F248 PolarHBondContact O-N 2.77Å; I237-F248 HydrophobicContact CD1-CB 4.46Å
249	Y	98.7	Very high	95.3	Very high	31 Å²	31	47.4 Å²	47.4	12%	0.122	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	154.2	-173.8	69.6	-81.3	0	0	0	112.4	N47 L79 F223 P224 F233 I247 I251	N47-Y249 HydrophobicContact CB-CD1 3.89Å; N47-Y249 HydrophobicContact CB-CD2 4.34Å; N47-Y249 HydrophobicContact CB-CE1 3.37Å; N47-Y249 HydrophobicContact CB-CE2 3.86Å; N47-Y249 HydrophobicContact CB-CG 4.35Å; N47-Y249 PolarHBondContact N-O 3.04Å; N47-Y249 PolarHBondContact O-N 3.18Å; L79-Y249 HydrophobicContact CD2-CE1 4.07Å; F223-Y249 HydrophobicContact CE2-CD1 4.06Å; F223-Y249 AromaticContact CE2-CD2 3.92Å; F223-Y249 HydrophobicContact CE2-CD2 3.92Å; F223-Y249 HydrophobicContact CE2-CE1 4.07Å; F223-Y249 AromaticContact CE2-CE2 3.95Å; F223-Y249 HydrophobicContact CE2-CE2 3.95Å; F223-Y249 AromaticContact CE2-CG 3.97Å; F223-Y249 HydrophobicContact CE2-CG 3.97Å; F223-Y249 AromaticContact CZ-CD1 3.67Å; F223-Y249 HydrophobicContact CZ-CD1 3.67Å; F223-Y249 HydrophobicContact CZ-CD2 4.03Å; F223-Y249 HydrophobicContact CZ-CE1 4.09Å; F223-Y249 HydrophobicContact CZ-CE2 4.44Å; F223-Y249 AromaticContact CZ-CG 3.62Å; F223-Y249 HydrophobicContact CZ-CG 3.62Å; P224-Y249 HydrophobicContact CB-CD2 4.1Å; F233-Y249 CarbonylContact O-C 3.55Å; F233-Y249 WeakPolarHBondContact O-CA 3.47Å; F233-Y249 VanDerWaalsContact O-CB 3.26Å; F233-Y249 WeakPolarHBondContact O-CB 3.21Å; I247-Y249 HydrophobicContact CG2-CD1 3.94Å; Y249-I251 HydrophobicContact CD2-CG1 4.31Å; Y249-I251 HydrophobicContact CE2-CD1 4.24Å
250	H	98.6	Very high	95.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.6	175.3	-178.5	-110	0	0	0	109.2	R45 L46 N231 T232 F233	R45-H250 WeakPolarHBondContact O-CA 3.3Å; L46-H250 HydrophobicContact CD1-CB 3.71Å; N231-H250 PolarHBondContact O-ND1 2.8Å; T232-H250 CarbonylContact C-O 3.56Å; T232-H250 WeakPolarHBondContact CA-O 3.23Å; F233-H250 HydrophobicContact CD1-CB 3.85Å; F233-H250 HydrophobicContact CD2-CB 4.3Å; F233-H250 HydrophobicContact CE1-CB 3.31Å; F233-H250 AromaticContact CE1-CG 3.95Å; F233-H250 HydrophobicContact CE2-CB 3.84Å; F233-H250 HydrophobicContact CG-CB 4.33Å; F233-H250 HydrophobicContact CZ-CB 3.32Å; F233-H250 PolarHBondContact N-O 3.47Å; F233-H250 PolarHBondContact O-N 2.78Å
251	I	98	Very high	95.3	Very high	36 Å²	36	50.1 Å²	50.1	19%	0.185	26%	0.257	C	S	.	.			trans	-115.8	118.3	171.1	-57.1	167.6	0	0	0	106.8	R45 P224 Y249	R45-I251 VanDerWaalsContact NH1-CB 3.26Å; R45-I251 PolarHBondContact NH1-O 2.58Å; R45-I251 PolarHBondContact O-N 2.95Å; P224-I251 HydrophobicContact CB-CG1 4.14Å; P224-I251 WeakPolarHBondContact O-CD1 3.42Å; Y249-I251 HydrophobicContact CD2-CG1 4.31Å; Y249-I251 HydrophobicContact CE2-CD1 4.24Å
252	F	97.7	Very high	95.6	Very high	30 Å²	30	46.2 Å²	46.2	13%	0.132	24%	0.236	C	C	.	.			trans	-63.1	148.5	-179	-176.8	-101.2	0	0	0	112.4	R45 E169 H229 N231 T232	R45-F252 PolarHBondContact NH2-O 2.8Å; E169-F252 HydrophobicContact CB-CE1 4.12Å; E169-F252 HydrophobicContact CB-CZ 4.01Å; E169-F252 HydrophobicContact CG-CE1 4.46Å; H229-F252 HydrophobicContact CB-CB 3.79Å; H229-F252 HydrophobicContact CB-CD1 4.04Å; H229-F252 HydrophobicContact CB-CG 4.1Å; H229-F252 AromaticContact CD2-CD1 3.61Å; H229-F252 AromaticContact CD2-CE1 3.71Å; H229-F252 AromaticContact CE1-CD1 3.63Å; H229-F252 AromaticContact CE1-CD2 3.32Å; H229-F252 WeakPolarHBondContact CE1-CD2 3.49Å; H229-F252 AromaticContact CE1-CE1 3.63Å; H229-F252 AromaticContact CE1-CE2 3.31Å; H229-F252 WeakPolarHBondContact CE1-CE2 3.46Å; H229-F252 AromaticContact CE1-CG 3.46Å; H229-F252 VanDerWaalsContact CE1-CG 3.46Å; H229-F252 WeakPolarHBondContact CE1-CG 3.31Å; H229-F252 AromaticContact CE1-CZ 3.45Å; H229-F252 VanDerWaalsContact CE1-CZ 3.45Å; H229-F252 WeakPolarHBondContact CE1-CZ 3.19Å; H229-F252 AromaticContact CG-CD1 3.41Å; H229-F252 VanDerWaalsContact CG-CD1 3.41Å; H229-F252 AromaticContact CG-CE1 3.98Å; H229-F252 AromaticContact CG-CG 3.5Å; H229-F252 VanDerWaalsContact CG-CG 3.5Å; H229-F252 WeakPolarHBondContact ND1-CB 3.28Å; H229-F252 AromaticContact ND1-CD1 3.43Å; H229-F252 WeakPolarHBondContact ND1-CD1 3.48Å; H229-F252 AromaticContact ND1-CD2 3.3Å; H229-F252 VanDerWaalsContact ND1-CD2 3.3Å; H229-F252 WeakPolarHBondContact ND1-CD2 3.31Å; H229-F252 AromaticContact ND1-CE1 3.93Å; H229-F252 AromaticContact ND1-CE2 3.81Å; H229-F252 AromaticContact ND1-CG 3.05Å; H229-F252 WeakPolarHBondContact ND1-CG 3.38Å; H229-F252 AromaticContact NE2-CD1 3.77Å; H229-F252 AromaticContact NE2-CE1 3.51Å; H229-F252 AromaticContact NE2-CE2 3.93Å; H229-F252 AromaticContact NE2-CZ 3.57Å; N231-F252 HydrophobicContact CB-CD2 4.07Å; T232-F252 WeakPolarHBondContact OG1-CB 3.16Å; T232-F252 PolarHBondContact OG1-N 2.75Å
253	G	96.1	Very high	95.7	Very high	5 Å²	5	42.4 Å²	42.4	5%	0.052	22%	0.222	C	C	.	.	S	Bend	trans	143.2	-163.7	176.8	0	0	0	0	0	110.8	R45 G168 E169	R45-G253 VanDerWaalsContact NH2-CA 3.32Å; G168-G253 WeakPolarHBondContact CA-O 3.49Å; E169-G253 VanDerWaalsContact CB-C 3.42Å; E169-G253 PolarHBondContact N-O 2.89Å
254	C	96.1	Very high	95.7	Very high	57 Å²	57	37.6 Å²	37.6	39%	0.385	21%	0.208	S	C	.	.			trans	-73.3	124.7	176.4	-167.6	0	0	0	0	112	R45 E169 I170	R45-C254 PolarHBondContact NE-O 3.15Å; R45-C254 VanDerWaalsContact NE-O 3.12Å; E169-C254 PolarHBondContact OE2-N 2.82Å; I170-C254 WeakPolarHBondContact CD1-SG 3.14Å
255	G	95.1	Very high	95.7	Very high	9 Å²	9	39.6 Å²	39.6	9%	0.093	22%	0.219	C	C	.	.			trans	-87.1	178.1	172.4	0	0	0	0	0	114.3	S41 K43	S41-G255 PolarHBondContact O-N 3.18Å; S41-G255 PolarHBondContact OG-N 2.79Å; K43-G255 VanDerWaalsContact O-CA 3.31Å; K43-G255 WeakPolarHBondContact O-CA 3.29Å
256	E	95.1	Very high	95.5	Very high	96 Å²	96	42.6 Å²	42.6	45%	0.449	24%	0.235	S	C	.	.			trans	-73.4	147.7	179.2	-61.8	166.5	-179.1	0	0	112	K43 G44	K43-E256 HydrophobicContact CB-CB 4.26Å; K43-E256 HydrophobicContact CG-CB 3.9Å; K43-E256 PolarHBondContact O-N 3.48Å; G44-E256 WeakPolarHBondContact CA-OE1 3.12Å
257	F	88.4	Confident	95.2	Very high	144 Å²	144	45.8 Å²	45.8	63%	0.632	25%	0.253	S	S	*	.			trans	-99.7	-4.1	-179.6	-62.6	-83.2	0	0	0	114.3	I170	I170-F257 HydrophobicContact CD1-CE1 3.32Å; I170-F257 HydrophobicContact CD1-CE2 4.35Å; I170-F257 HydrophobicContact CD1-CZ 3.2Å
258	S	81.7	Confident	94.9	Very high	142 Å²	142	50 Å²	50	99%	0.993	28%	0.276	S	S	*	.			trans	-151	0	-174.9	63.2	0	0	0	0	112

Retrieved 258 of 258 residues in 217.8 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).