A0A5K4F0J2_SCHMA Loading...

Aminotran_1_2 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F0J2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 437 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	M	86.3	Confident	91.4	Very high	219 Å²	219	114.1 Å²	114.1	100%	1.079	60%	0.597	S	S	*	*				0	121.8	0	-161.9	-177.3	-61.7	0	0	106.8	L3	M1-L3 PolarHBondContact O-N 2.97Å
2	I	91	Very high	91.1	Very high	172 Å²	172	117.8 Å²	117.8	88%	0.882	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-71.7	117.4	177.6	-61.1	174	0	0	0	107
3	L	92.6	Very high	90.8	Very high	127 Å²	127	116.6 Å²	116.6	67%	0.665	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-94.8	135.6	178.4	-66.1	176	0	0	0	109.7	M1	M1-L3 PolarHBondContact O-N 2.97Å
4	P	95	Very high	90.5	Very high	76 Å²	76	111.4 Å²	111.4	49%	0.494	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-57.7	164	167.6	-22.9	32.5	0	0	0	112.3	I8 L9	P4-I8 HydrophobicContact CB-CB 4.46Å; P4-L9 HydrophobicContact CB-CD2 4.16Å; P4-L9 HydrophobicContact CB-CG 4.4Å; P4-L9 HydrophobicContact CG-CD2 4.06Å
5	A	94.4	Very high	90.1	Very high	52 Å²	52	106.8 Å²	106.8	43%	0.43	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-57.7	141.8	172.7	0	0	0	0	0	111.3	R7 I8 L9	A5-R7 HydrophobicContact CB-CG 4.19Å; A5-R7 PolarHBondContact O-N 3.49Å; A5-R7 VanDerWaalsContact O-N 3.1Å; A5-I8 HydrophobicContact CB-CG1 4.41Å; A5-I8 WeakPolarHBondContact O-CB 3.36Å; A5-I8 PolarHBondContact O-N 2.95Å; A5-L9 PolarHBondContact O-N 3.08Å
6	A	92.3	Very high	90	Very high	71 Å²	71	103.6 Å²	103.6	59%	0.587	54%	0.541	S	S	*	.	H	α-helix	trans	-54.9	-34.7	-176.9	0	0	0	0	0	113.7	I8 L9 K10	A6-I8 PolarHBondContact O-N 2.82Å; A6-L9 PolarHBondContact O-N 3.43Å; A6-K10 PolarHBondContact O-N 3.09Å
7	R	90.9	Very high	90	Very high	141 Å²	141	102.1 Å²	102.1	53%	0.532	54%	0.537	S	S	.	.	H	α-helix	trans	-62.8	-25.8	176.1	65.4	-177.8	167.3	121.1	-0.8	114.1	A5 Q11	A5-R7 HydrophobicContact CB-CG 4.19Å; A5-R7 PolarHBondContact O-N 3.49Å; A5-R7 VanDerWaalsContact O-N 3.1Å; R7-Q11 WeakPolarHBondContact O-CG 3.1Å
8	I	93.6	Very high	89.8	Confident	79 Å²	79	103.8 Å²	103.8	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-84.1	-37.7	177.1	-56.8	-56.5	0	0	0	110.5	P4 A5 A6 K10 Q11 M154	P4-I8 HydrophobicContact CB-CB 4.46Å; A5-I8 HydrophobicContact CB-CG1 4.41Å; A5-I8 WeakPolarHBondContact O-CB 3.36Å; A5-I8 PolarHBondContact O-N 2.95Å; A6-I8 PolarHBondContact O-N 2.82Å; I8-K10 PolarHBondContact O-N 3.34Å; I8-K10 VanDerWaalsContact O-N 3.16Å; I8-Q11 WeakPolarHBondContact O-CB 3.16Å; I8-Q11 PolarHBondContact O-N 3.2Å; I8-M154 HydrophobicContact CD1-CE 4.16Å
9	L	91.6	Very high	89.7	Confident	109 Å²	109	99.6 Å²	99.6	57%	0.571	52%	0.52	S	S	*	.	H	α-helix	trans	-63.1	-21.9	179.1	-64.8	177.1	0	0	0	113.4	P4 A5 A6	P4-L9 HydrophobicContact CB-CD2 4.16Å; P4-L9 HydrophobicContact CB-CG 4.4Å; P4-L9 HydrophobicContact CG-CD2 4.06Å; A5-L9 PolarHBondContact O-N 3.08Å; A6-L9 PolarHBondContact O-N 3.43Å
10	K	86.8	Confident	89.8	Confident	155 Å²	155	98.1 Å²	98.1	67%	0.674	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.3	174.8	-65.8	-177.1	-179.5	-177.6	0	113.9	A6 I8 V153	A6-K10 PolarHBondContact O-N 3.09Å; I8-K10 PolarHBondContact O-N 3.34Å; I8-K10 VanDerWaalsContact O-N 3.16Å; K10-V153 HydrophobicContact CB-CG1 4.04Å; K10-V153 HydrophobicContact CD-CG1 4.48Å
11	Q	91.3	Very high	89.9	Confident	54 Å²	54	99.2 Å²	99.2	25%	0.252	52%	0.518	S	S	.	.			trans	-83.4	149.2	-179.1	-62.6	-62.2	-39.5	0	0	111.1	R7 I8 P150	R7-Q11 WeakPolarHBondContact O-CG 3.1Å; I8-Q11 WeakPolarHBondContact O-CB 3.16Å; I8-Q11 PolarHBondContact O-N 3.2Å; Q11-P150 PolarHBondContact NE2-O 3.09Å; Q11-P150 VanDerWaalsContact NE2-O 3.07Å
12	K	87.5	Confident	90	Very high	159 Å²	159	89.7 Å²	89.7	69%	0.691	47%	0.474	S	S	*	.			trans	-111.6	155.1	172.3	-65.2	-177.6	-179.6	-179.7	0	109.5	S14	K12-S14 PolarHBondContact O-N 3.26Å
13	P	86.9	Confident	90.1	Very high	102 Å²	102	82.5 Å²	82.5	66%	0.662	44%	0.438	S	S	*	.			trans	-51.9	141.6	168.6	-24.9	34.7	0	0	0	110.9
14	S	87	Confident	90.2	Very high	44 Å²	44	79.7 Å²	79.7	31%	0.308	43%	0.433	S	S	.	.			trans	-64.8	139.7	173.6	173.9	0	0	0	0	109.9	K12 W16 V17	K12-S14 PolarHBondContact O-N 3.26Å; S14-W16 PolarHBondContact O-N 2.92Å; S14-W16 VanDerWaalsContact O-N 3.11Å; S14-W16 PolarHBondContact OG-N 3.3Å; S14-V17 WeakPolarHBondContact O-CB 2.91Å; S14-V17 PolarHBondContact O-N 3.3Å
15	I	84.3	Confident	90.1	Very high	42 Å²	42	83.1 Å²	83.1	22%	0.215	44%	0.441	C	S	.	.	H	α-helix	trans	-55	-29.8	174.7	62.4	94.9	0	0	0	112	V17 E18 I19 D146 V402	I15-V17 PolarHBondContact O-N 3.35Å; I15-E18 PolarHBondContact O-N 2.9Å; I15-I19 HydrophobicContact CD1-CD1 3.65Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.12Å; I15-I19 PolarHBondContact O-N 3.3Å; I15-I19 VanDerWaalsContact O-N 3.07Å; I15-D146 HydrophobicContact CG1-CB 4.27Å; I15-V402 HydrophobicContact CB-CB 4.43Å; I15-V402 HydrophobicContact CD1-CB 4.45Å; I15-V402 HydrophobicContact CD1-CG2 3.93Å; I15-V402 HydrophobicContact CG1-CB 4.42Å; I15-V402 HydrophobicContact CG1-CG2 4.36Å; I15-V402 HydrophobicContact CG2-CB 4.23Å
16	W	89.2	Confident	90.1	Very high	55 Å²	55	84.2 Å²	84.2	21%	0.208	43%	0.434	C	S	.	.	H	α-helix	trans	-65	-25.3	177.2	-56.2	115.8	0	0	0	113	S14 I19 N20 D146 I398 F403	S14-W16 PolarHBondContact O-N 2.92Å; S14-W16 VanDerWaalsContact O-N 3.11Å; S14-W16 PolarHBondContact OG-N 3.3Å; W16-I19 HydrophobicContact CE3-CD1 4.33Å; W16-I19 HydrophobicContact CZ3-CD1 4.41Å; W16-N20 WeakPolarHBondContact O-CB 3.31Å; W16-N20 PolarHBondContact O-N 3.23Å; W16-N20 PolarHBondContact O-ND2 3.06Å; W16-D146 PolarHBondContact NE1-OD1 3.37Å; W16-D146 PolarHBondContact NE1-OD2 3.39Å; W16-D146 VanDerWaalsContact NE1-OD2 3.11Å; W16-I398 HydrophobicContact CH2-CD1 4.5Å; W16-I398 HydrophobicContact CH2-CG1 4.44Å; W16-I398 HydrophobicContact CH2-CG2 4.47Å; W16-I398 HydrophobicContact CZ3-CD1 3.71Å; W16-I398 HydrophobicContact CZ3-CG1 4.1Å; W16-F403 HydrophobicContact CH2-CE1 4.26Å; W16-F403 HydrophobicContact CH2-CZ 4Å; W16-F403 HydrophobicContact CZ2-CE1 4.09Å; W16-F403 HydrophobicContact CZ2-CZ 4.3Å
17	V	89.4	Confident	90.2	Very high	79 Å²	79	89.4 Å²	89.4	48%	0.479	44%	0.444	S	S	.	.	H	α-helix	trans	-66.1	-51.3	176.6	178	0	0	0	0	109.9	S14 I15 N20 L21	S14-V17 WeakPolarHBondContact O-CB 2.91Å; S14-V17 PolarHBondContact O-N 3.3Å; I15-V17 PolarHBondContact O-N 3.35Å; V17-N20 PolarHBondContact O-N 3.14Å; V17-L21 HydrophobicContact CG1-CD1 4.22Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.23Å; V17-L21 PolarHBondContact O-N 3.36Å
18	E	86.9	Confident	90.4	Very high	132 Å²	132	83.5 Å²	83.5	62%	0.617	42%	0.423	S	S	*	.	H	α-helix	trans	-64.5	-44.1	179.8	-65.4	179.3	-176.5	0	0	111.4	I15 N20 L21 A22	I15-E18 PolarHBondContact O-N 2.9Å; E18-N20 PolarHBondContact O-N 2.86Å; E18-L21 PolarHBondContact O-N 3.08Å; E18-A22 PolarHBondContact O-N 2.88Å
19	I	87.5	Confident	90.6	Very high	24 Å²	24	81.7 Å²	81.7	12%	0.123	41%	0.414	C	S	.	.	H	α-helix	trans	-62.3	-45.5	178.3	-67	174.3	0	0	0	111	I15 W16 L21 A22 V23 I398	I15-I19 HydrophobicContact CD1-CD1 3.65Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.12Å; I15-I19 PolarHBondContact O-N 3.3Å; I15-I19 VanDerWaalsContact O-N 3.07Å; W16-I19 HydrophobicContact CE3-CD1 4.33Å; W16-I19 HydrophobicContact CZ3-CD1 4.41Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.06Å; I19-A22 PolarHBondContact O-N 3.39Å; I19-V23 HydrophobicContact CG2-CG2 4.35Å; I19-V23 VanDerWaalsContact O-CG2 3.32Å; I19-V23 WeakPolarHBondContact O-CG2 3.45Å; I19-V23 PolarHBondContact O-N 3.22Å; I19-I398 HydrophobicContact CD1-CD1 3.8Å; I19-I398 HydrophobicContact CD1-CG2 4.12Å; I19-I398 HydrophobicContact CG2-CD1 3.72Å
20	N	92	Very high	90.7	Very high	70 Å²	70	77.7 Å²	77.7	37%	0.374	39%	0.393	S	S	.	.	H	α-helix	trans	-66.7	-36	179.8	-74.2	-32.6	0	0	0	112.1	W16 V17 E18 A22 V23 A24 Q33	W16-N20 WeakPolarHBondContact O-CB 3.31Å; W16-N20 PolarHBondContact O-N 3.23Å; W16-N20 PolarHBondContact O-ND2 3.06Å; V17-N20 PolarHBondContact O-N 3.14Å; E18-N20 PolarHBondContact O-N 2.86Å; N20-A22 VanDerWaalsContact C-N 3.34Å; N20-V23 PolarHBondContact O-N 2.88Å; N20-A24 VanDerWaalsContact O-CB 3.29Å; N20-A24 WeakPolarHBondContact O-CB 3.12Å; N20-A24 PolarHBondContact O-N 3.15Å; N20-Q33 PolarHBondContact OD1-NE2 3.23Å
21	L	91.9	Very high	91.2	Very high	121 Å²	121	70.4 Å²	70.4	63%	0.634	36%	0.362	S	S	*	.	H	α-helix	trans	-62.4	-43.3	173.3	-73.4	170.7	0	0	0	111.3	V17 E18 I19 A24 K25	V17-L21 HydrophobicContact CG1-CD1 4.22Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.23Å; V17-L21 PolarHBondContact O-N 3.36Å; E18-L21 PolarHBondContact O-N 3.08Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.06Å; L21-A24 PolarHBondContact O-N 2.92Å; L21-K25 WeakPolarHBondContact O-CB 3.35Å; L21-K25 PolarHBondContact O-N 3.13Å
22	A	89	Confident	91.2	Very high	19 Å²	19	67.8 Å²	67.8	16%	0.157	35%	0.35	C	S	.	.	H	α-helix	trans	-66.3	-44.9	178	0	0	0	0	0	111.8	E18 I19 N20 A24 K25 Y26 M390	E18-A22 PolarHBondContact O-N 2.88Å; I19-A22 PolarHBondContact O-N 3.39Å; N20-A22 VanDerWaalsContact C-N 3.34Å; A22-A24 VanDerWaalsContact C-N 3.34Å; A22-A24 PolarHBondContact O-N 2.57Å; A22-K25 PolarHBondContact O-N 3.14Å; A22-Y26 WeakPolarHBondContact O-CD2 3.48Å; A22-Y26 PolarHBondContact O-N 3.27Å; A22-M390 HydrophobicContact CB-CE 3.42Å; A22-M390 VanDerWaalsContact CB-CE 3.42Å; A22-M390 HydrophobicContact CB-SD 4.02Å
23	V	92.9	Very high	91.1	Very high	21 Å²	21	62.8 Å²	62.8	13%	0.127	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-44.8	174.4	168.3	0	0	0	0	111	I19 N20 K25 K27 P28 N30 M390	I19-V23 HydrophobicContact CG2-CG2 4.35Å; I19-V23 VanDerWaalsContact O-CG2 3.32Å; I19-V23 WeakPolarHBondContact O-CG2 3.45Å; I19-V23 PolarHBondContact O-N 3.22Å; N20-V23 PolarHBondContact O-N 2.88Å; V23-K25 VanDerWaalsContact C-N 3.31Å; V23-K25 PolarHBondContact O-N 3.3Å; V23-K27 VanDerWaalsContact O-CA 3.32Å; V23-K27 WeakPolarHBondContact O-CA 3.46Å; V23-K27 PolarHBondContact O-N 3.42Å; V23-P28 HydrophobicContact CG1-CG 4.47Å; V23-P28 HydrophobicContact CG2-CG 4.44Å; V23-P28 VanDerWaalsContact O-CD 3.31Å; V23-P28 WeakPolarHBondContact O-CD 3.46Å; V23-N30 WeakPolarHBondContact CG1-ND2 3.27Å; V23-M390 HydrophobicContact CG2-SD 4.16Å
24	A	93.7	Very high	91.2	Very high	68 Å²	68	58.8 Å²	58.8	56%	0.562	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-36.5	179.1	0	0	0	0	0	112.5	N20 L21 A22	N20-A24 VanDerWaalsContact O-CB 3.29Å; N20-A24 WeakPolarHBondContact O-CB 3.12Å; N20-A24 PolarHBondContact O-N 3.15Å; L21-A24 PolarHBondContact O-N 2.92Å; A22-A24 VanDerWaalsContact C-N 3.34Å; A22-A24 PolarHBondContact O-N 2.57Å
25	K	94.3	Very high	91.3	Very high	148 Å²	148	60.7 Å²	60.7	64%	0.643	31%	0.309	S	S	*	.	H	α-helix	trans	-68.1	-48.3	178.8	-178.5	179.6	176.6	-170.1	0	112.2	L21 A22 V23	L21-K25 WeakPolarHBondContact O-CB 3.35Å; L21-K25 PolarHBondContact O-N 3.13Å; A22-K25 PolarHBondContact O-N 3.14Å; V23-K25 VanDerWaalsContact C-N 3.31Å; V23-K25 PolarHBondContact O-N 3.3Å
26	Y	93.2	Very high	91.7	Very high	75 Å²	75	59.4 Å²	59.4	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-95.5	-15.9	-171.7	-60.2	-62.5	0	0	0	114.1	A22 P28 M390 Q391	A22-Y26 WeakPolarHBondContact O-CD2 3.48Å; A22-Y26 PolarHBondContact O-N 3.27Å; Y26-P28 VanDerWaalsContact C-CD 3.48Å; Y26-P28 VanDerWaalsContact C-N 3.34Å; Y26-M390 HydrophobicContact CD2-CE 4.22Å; Y26-M390 HydrophobicContact CD2-CG 3.78Å; Y26-M390 HydrophobicContact CD2-SD 4.02Å; Y26-M390 HydrophobicContact CG-CG 4.05Å; Y26-Q391 HydrophobicContact CD1-CG 3.87Å; Y26-Q391 HydrophobicContact CD2-CG 4.02Å; Y26-Q391 HydrophobicContact CE1-CB 4.44Å; Y26-Q391 HydrophobicContact CE1-CG 3.45Å; Y26-Q391 VanDerWaalsContact CE1-CG 3.45Å; Y26-Q391 HydrophobicContact CE2-CG 3.62Å; Y26-Q391 HydrophobicContact CG-CG 4.14Å; Y26-Q391 PolarHBondContact OH-NE2 3.46Å
27	K	94.7	Very high	91.8	Very high	181 Å²	181	59.7 Å²	59.7	79%	0.787	31%	0.309	S	S	*	.			trans	48.6	48.5	-178.6	-56.1	-180	-179	179.8	0	113.3	V23	V23-K27 VanDerWaalsContact O-CA 3.32Å; V23-K27 WeakPolarHBondContact O-CA 3.46Å; V23-K27 PolarHBondContact O-N 3.42Å
28	P	95.9	Very high	91.8	Very high	16 Å²	16	58.1 Å²	58.1	10%	0.104	30%	0.297	C	S	.	.			trans	-69.8	165.8	179.8	35.5	-39.2	0	0	0	111.1	V23 Y26 N30 M390 G394 S396	V23-P28 HydrophobicContact CG1-CG 4.47Å; V23-P28 HydrophobicContact CG2-CG 4.44Å; V23-P28 VanDerWaalsContact O-CD 3.31Å; V23-P28 WeakPolarHBondContact O-CD 3.46Å; Y26-P28 VanDerWaalsContact C-CD 3.48Å; Y26-P28 VanDerWaalsContact C-N 3.34Å; P28-N30 PolarHBondContact O-N 3.16Å; P28-M390 HydrophobicContact CB-CG 4Å; P28-M390 HydrophobicContact CG-CG 3.77Å; P28-M390 HydrophobicContact CG-SD 3.92Å; P28-G394 CarbonylContact C-O 3.48Å; P28-G394 VanDerWaalsContact CA-O 3.27Å; P28-G394 WeakPolarHBondContact CA-O 3.26Å; P28-G394 WeakPolarHBondContact CB-O 3.43Å; P28-S396 VanDerWaalsContact CG-OG 3.3Å; P28-S396 WeakPolarHBondContact CG-OG 3.31Å
29	I	96.1	Very high	92	Very high	41 Å²	41	58.5 Å²	58.5	21%	0.21	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	120.2	156.6	-57.7	-176.3	0	0	0	107.7	L31 G394 S396 T426 S429 A430 I433	I29-L31 HydrophobicContact CG2-CD2 4.42Å; I29-L31 PolarHBondContact O-N 2.96Å; I29-G394 PolarHBondContact N-O 2.86Å; I29-S396 PolarHBondContact O-N 2.65Å; I29-S396 PolarHBondContact O-OG 2.88Å; I29-T426 HydrophobicContact CG2-CG2 3.76Å; I29-S429 VanDerWaalsContact CD1-CB 3.47Å; I29-A430 HydrophobicContact CB-CB 4.49Å; I29-A430 HydrophobicContact CG2-CB 3.96Å; I29-I433 HydrophobicContact CD1-CD1 3.66Å; I29-I433 HydrophobicContact CG1-CD1 4.32Å
30	N	95	Very high	92.1	Very high	25 Å²	25	58.1 Å²	58.1	13%	0.134	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	95.1	-169.6	-165.2	-18	0	0	0	112.3	V23 P28 G32 Q33 S396 K422	V23-N30 WeakPolarHBondContact CG1-ND2 3.27Å; P28-N30 PolarHBondContact O-N 3.16Å; N30-G32 WeakPolarHBondContact OD1-CA 3.43Å; N30-G32 PolarHBondContact OD1-N 3.13Å; N30-Q33 VanDerWaalsContact ND2-CG 3.29Å; N30-Q33 WeakPolarHBondContact ND2-CG 3.43Å; N30-Q33 PolarHBondContact ND2-OE1 2.8Å; N30-Q33 PolarHBondContact OD1-N 3.35Å; N30-S396 WeakPolarHBondContact CA-OG 2.91Å; N30-S396 PolarHBondContact OD1-OG 3.03Å; N30-K422 VanDerWaalsContact O-CE 3.23Å; N30-K422 WeakPolarHBondContact O-CE 3.38Å
31	L	96.5	Very high	92	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.292	C	S	.	.	S	Bend	trans	-95.6	5.2	168.9	-53.2	-178.3	0	0	0	111.5	I29 M339 V395 S396 F418 C419 K422 T426 L427 A430	I29-L31 HydrophobicContact CG2-CD2 4.42Å; I29-L31 PolarHBondContact O-N 2.96Å; L31-M339 HydrophobicContact CD1-CE 3.72Å; L31-V395 HydrophobicContact CD1-CG1 4.02Å; L31-V395 HydrophobicContact CG-CG1 4.34Å; L31-S396 CarbonylContact C-O 3.6Å; L31-S396 WeakPolarHBondContact CA-O 3.37Å; L31-S396 WeakPolarHBondContact CB-O 3.42Å; L31-S396 PolarHBondContact N-O 3.22Å; L31-F418 HydrophobicContact CB-CD1 4.04Å; L31-F418 HydrophobicContact CD1-CD1 4.07Å; L31-F418 CarbonylContact O-C 3.5Å; L31-C419 WeakPolarHBondContact O-CB 3.34Å; L31-C419 PolarHBondContact O-N 2.63Å; L31-K422 HydrophobicContact CD2-CG 4.16Å; L31-T426 HydrophobicContact CD2-CG2 4.18Å; L31-L427 HydrophobicContact CD2-CD2 4.02Å; L31-A430 HydrophobicContact CD1-CB 3.51Å; L31-A430 HydrophobicContact CD2-CB 4.39Å; L31-A430 HydrophobicContact CG-CB 4.13Å
32	G	92.5	Very high	92.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-86.8	-40.3	177.9	0	0	0	0	0	113.4	N30 G34 S396 I398 R417	N30-G32 WeakPolarHBondContact OD1-CA 3.43Å; N30-G32 PolarHBondContact OD1-N 3.13Å; G32-G34 PolarHBondContact O-N 3.13Å; G32-S396 PolarHBondContact N-O 3.19Å; G32-I398 WeakPolarHBondContact O-CG1 3.48Å; G32-R417 PolarHBondContact O-NH2 3.43Å
33	Q	84.1	Confident	92.6	Very high	53 Å²	53	56.9 Å²	56.9	25%	0.248	29%	0.287	C	S	.	.	S	Bend	trans	-68.2	128.3	-175.7	-84.7	175.4	-16	0	0	112.6	N20 N30 F35 K422	N20-Q33 PolarHBondContact OD1-NE2 3.23Å; N30-Q33 VanDerWaalsContact ND2-CG 3.29Å; N30-Q33 WeakPolarHBondContact ND2-CG 3.43Å; N30-Q33 PolarHBondContact ND2-OE1 2.8Å; N30-Q33 PolarHBondContact OD1-N 3.35Å; Q33-F35 VanDerWaalsContact C-N 3.28Å; Q33-F35 HydrophobicContact CB-CD1 4.02Å; Q33-F35 HydrophobicContact CB-CE1 3.59Å; Q33-F35 HydrophobicContact CB-CZ 3.97Å; Q33-F35 HydrophobicContact CG-CE1 3.81Å; Q33-F35 HydrophobicContact CG-CZ 4.26Å; Q33-F35 PolarHBondContact O-N 3.46Å; Q33-F35 VanDerWaalsContact O-N 3.09Å; Q33-K422 PolarHBondContact O-NZ 2.81Å
34	G	89.2	Confident	92.8	Very high	19 Å²	19	55.9 Å²	55.9	20%	0.196	28%	0.281	C	S	.	.	S	Bend	trans	-86.2	54.2	-175.9	0	0	0	0	0	113.7	G32 Y357	G32-G34 PolarHBondContact O-N 3.13Å; G34-Y357 PolarHBondContact O-OH 3.38Å
35	F	89.3	Confident	92.9	Very high	83 Å²	83	55.5 Å²	55.5	36%	0.364	27%	0.269	S	S	.	.	S	Bend	trans	-146.1	152.3	170.3	57.4	-104	0	0	0	110.8	Q33 T271 K422	Q33-F35 VanDerWaalsContact C-N 3.28Å; Q33-F35 HydrophobicContact CB-CD1 4.02Å; Q33-F35 HydrophobicContact CB-CE1 3.59Å; Q33-F35 HydrophobicContact CB-CZ 3.97Å; Q33-F35 HydrophobicContact CG-CE1 3.81Å; Q33-F35 HydrophobicContact CG-CZ 4.26Å; Q33-F35 PolarHBondContact O-N 3.46Å; Q33-F35 VanDerWaalsContact O-N 3.09Å; F35-T271 HydrophobicContact CB-CG2 3.86Å; F35-T271 WeakPolarHBondContact CB-OG1 3.15Å; F35-K422 PolarHBondContact O-NZ 2.75Å
36	P	91.7	Very high	93.1	Very high	15 Å²	15	52.9 Å²	52.9	10%	0.097	26%	0.259	C	S	.	.			trans	-69.3	146.2	175.3	22.6	-26.1	0	0	0	112	I38 F421	P36-I38 VanDerWaalsContact C-N 3.28Å; P36-I38 HydrophobicContact CB-CG1 3.73Å; P36-F421 HydrophobicContact CB-CD1 3.7Å; P36-F421 HydrophobicContact CB-CD2 4.19Å; P36-F421 HydrophobicContact CB-CE1 3.76Å; P36-F421 HydrophobicContact CB-CE2 4.21Å; P36-F421 HydrophobicContact CB-CG 3.97Å; P36-F421 HydrophobicContact CB-CZ 4.01Å; P36-F421 HydrophobicContact CG-CD1 3.95Å; P36-F421 HydrophobicContact CG-CE1 3.79Å; P36-F421 HydrophobicContact CG-CZ 4.35Å
37	D	91.8	Very high	93.3	Very high	61 Å²	61	49.5 Å²	49.5	33%	0.326	25%	0.246	S	C	.	.	S	Bend	trans	-93	13.9	165.1	59.7	-2.7	0	0	0	111.9	K422 E423 T426	D37-K422 HydrophobicContact CB-CD 4.33Å; D37-K422 VanDerWaalsContact OD1-C 3.24Å; D37-K422 WeakPolarHBondContact OD1-CA 3.35Å; D37-K422 WeakPolarHBondContact OD2-CD 3.47Å; D37-E423 PolarHBondContact OD1-N 2.95Å; D37-E423 PolarHBondContact OD2-N 3.49Å; D37-T426 WeakPolarHBondContact OD2-CB 3.39Å; D37-T426 PolarHBondContact OD2-OG1 3.14Å
38	I	89.4	Confident	93.4	Very high	46 Å²	46	43.7 Å²	43.7	24%	0.236	22%	0.223	C	C	.	.	S	Bend	trans	-109.8	152.1	174.8	63.1	166.1	0	0	0	111.5	P36 L331 F421 E423	P36-I38 VanDerWaalsContact C-N 3.28Å; P36-I38 HydrophobicContact CB-CG1 3.73Å; I38-L331 HydrophobicContact CD1-CD2 4.09Å; I38-F421 HydrophobicContact CD1-CD2 4.29Å; I38-F421 HydrophobicContact CD1-CE2 3.36Å; I38-F421 HydrophobicContact CD1-CZ 3.87Å; I38-F421 HydrophobicContact CG1-CE2 3.93Å; I38-F421 HydrophobicContact CG1-CZ 4.28Å; I38-E423 HydrophobicContact CG2-CG 3.51Å
39	L	91.1	Very high	93.5	Very high	140 Å²	140	46.4 Å²	46.4	73%	0.733	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-68.8	147.1	172.5	-71.3	175.8	0	0	0	111.2
40	P	89.6	Confident	93.5	Very high	16 Å²	16	47.2 Å²	47.2	10%	0.104	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.5	172.5	171.4	35.5	-39.8	0	0	0	110.8	V44 L45 F268 V270	P40-V44 HydrophobicContact CB-CB 4.35Å; P40-V44 HydrophobicContact CB-CG1 4.41Å; P40-L45 HydrophobicContact CG-CD1 4.45Å; P40-L45 HydrophobicContact CG-CD2 3.52Å; P40-L45 HydrophobicContact CG-CG 3.85Å; P40-F268 WeakPolarHBondContact CB-O 3.49Å; P40-V270 HydrophobicContact CB-CG1 3.93Å; P40-V270 HydrophobicContact CG-CG1 3.67Å
41	K	91.4	Very high	93.7	Very high	39 Å²	39	46.3 Å²	46.3	17%	0.17	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-55.8	145.9	175.9	-109.6	-169	-175.8	166.1	0	112.1	H43 V44 L45 E322 Y324 E327	K41-H43 VanDerWaalsContact C-N 3.3Å; K41-H43 PolarHBondContact O-N 2.89Å; K41-V44 HydrophobicContact CB-CG2 4.3Å; K41-V44 VanDerWaalsContact O-CB 3.31Å; K41-V44 WeakPolarHBondContact O-CB 3.36Å; K41-V44 PolarHBondContact O-N 3.33Å; K41-L45 PolarHBondContact O-N 3.42Å; K41-E322 PolarHBondContact NZ-O 2.91Å; K41-Y324 HydrophobicContact CB-CD2 3.91Å; K41-Y324 HydrophobicContact CB-CE2 4.22Å; K41-Y324 HydrophobicContact CB-CG 4.45Å; K41-Y324 HydrophobicContact CD-CD2 3.57Å; K41-Y324 HydrophobicContact CD-CG 4.11Å; K41-Y324 HydrophobicContact CG-CD2 3.58Å; K41-Y324 HydrophobicContact CG-CE2 4.04Å; K41-Y324 HydrophobicContact CG-CG 4.41Å; K41-E327 VanDerWaalsContact CE-CD 3.48Å; K41-E327 WeakPolarHBondContact CE-OE2 3.19Å; K41-E327 IonicContact NZ-OE2 3.8Å; K41-E327 PolarHBondContact NZ-OE2 2.96Å
42	Q	95.2	Very high	93.7	Very high	119 Å²	119	49.5 Å²	49.5	56%	0.556	28%	0.275	S	S	*	.	H	α-helix	trans	-52.8	-44	-176.3	-178.5	61.5	20.6	0	0	113.1	V44 L45 E46	Q42-V44 PolarHBondContact O-N 3.38Å; Q42-L45 WeakPolarHBondContact O-CB 3.36Å; Q42-L45 PolarHBondContact O-N 2.76Å; Q42-L45 VanDerWaalsContact O-N 3.09Å; Q42-E46 HydrophobicContact CG-CG 4.27Å; Q42-E46 VanDerWaalsContact CG-OE1 3.25Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.48Å; Q42-E46 PolarHBondContact NE2-OE1 3.02Å; Q42-E46 WeakPolarHBondContact O-CG 3.41Å; Q42-E46 PolarHBondContact O-N 3Å
43	H	96.4	Very high	93.9	Very high	27 Å²	27	54.6 Å²	54.6	13%	0.125	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-28	-179.4	75.3	-99.6	0	0	0	113.2	K41 S47 I313 E314	K41-H43 VanDerWaalsContact C-N 3.3Å; K41-H43 PolarHBondContact O-N 2.89Å; H43-S47 WeakPolarHBondContact O-CB 3.49Å; H43-S47 PolarHBondContact O-N 3.09Å; H43-S47 PolarHBondContact O-OG 3.09Å; H43-I313 HydrophobicContact CB-CD1 4.05Å; H43-E314 IonicContact CE1-OE1 3.3Å; H43-E314 PolarHBondContact CE1-OE1 3.44Å; H43-E314 IonicContact NE2-OE1 3.8Å
44	V	97.2	Very high	94.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69	-45	175.7	-178	0	0	0	0	109.5	P40 K41 Q42 S47 L48 F268 V270 W273	P40-V44 HydrophobicContact CB-CB 4.35Å; P40-V44 HydrophobicContact CB-CG1 4.41Å; K41-V44 HydrophobicContact CB-CG2 4.3Å; K41-V44 VanDerWaalsContact O-CB 3.31Å; K41-V44 WeakPolarHBondContact O-CB 3.36Å; K41-V44 PolarHBondContact O-N 3.33Å; Q42-V44 PolarHBondContact O-N 3.38Å; V44-S47 PolarHBondContact O-N 2.94Å; V44-L48 PolarHBondContact O-N 3.26Å; V44-F268 HydrophobicContact CG1-CB 4.04Å; V44-F268 HydrophobicContact CG1-CG 4.43Å; V44-F268 HydrophobicContact CG2-CB 4.26Å; V44-F268 HydrophobicContact CG2-CD1 3.61Å; V44-F268 HydrophobicContact CG2-CE1 4.25Å; V44-F268 HydrophobicContact CG2-CG 4.21Å; V44-V270 HydrophobicContact CG1-CG1 4.05Å; V44-W273 HydrophobicContact CG1-CH2 3.65Å; V44-W273 HydrophobicContact CG1-CZ2 4.09Å; V44-W273 HydrophobicContact CG1-CZ3 4.23Å; V44-W273 WeakPolarHBondContact O-CH2 3.39Å
45	L	97.1	Very high	94.8	Very high	59 Å²	59	64.5 Å²	64.5	31%	0.309	36%	0.355	S	S	.	.	H	α-helix	trans	-64.3	-42.2	176.3	-61.8	177.3	0	0	0	111.3	P40 K41 Q42 S47 L48 S49	P40-L45 HydrophobicContact CG-CD1 4.45Å; P40-L45 HydrophobicContact CG-CD2 3.52Å; P40-L45 HydrophobicContact CG-CG 3.85Å; K41-L45 PolarHBondContact O-N 3.42Å; Q42-L45 WeakPolarHBondContact O-CB 3.36Å; Q42-L45 PolarHBondContact O-N 2.76Å; Q42-L45 VanDerWaalsContact O-N 3.09Å; L45-S47 VanDerWaalsContact C-N 3.34Å; L45-S47 PolarHBondContact O-N 3.27Å; L45-L48 PolarHBondContact O-N 3.15Å; L45-S49 WeakPolarHBondContact O-CB 3.41Å; L45-S49 PolarHBondContact O-N 3.01Å; L45-S49 PolarHBondContact O-OG 3.34Å
46	E	97.9	Very high	95.1	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.439	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-38.4	177.5	-72.6	173.8	176.5	0	0	112.7	Q42 L48 S49 M50	Q42-E46 HydrophobicContact CG-CG 4.27Å; Q42-E46 VanDerWaalsContact CG-OE1 3.25Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.48Å; Q42-E46 PolarHBondContact NE2-OE1 3.02Å; Q42-E46 WeakPolarHBondContact O-CG 3.41Å; Q42-E46 PolarHBondContact O-N 3Å; E46-L48 PolarHBondContact O-N 2.66Å; E46-S49 WeakPolarHBondContact CA-OG 3.3Å; E46-S49 PolarHBondContact O-N 2.99Å; E46-S49 PolarHBondContact O-OG 2.95Å; E46-M50 WeakPolarHBondContact O-CB 3.37Å; E46-M50 WeakPolarHBondContact O-CG 3.11Å; E46-M50 PolarHBondContact O-N 2.65Å
47	S	97.8	Very high	95.4	Very high	4 Å²	4	64 Å²	64	3%	0.028	36%	0.361	C	S	.	.	H	α-helix	trans	-62.4	-30.7	177	-66	0	0	0	0	112.6	H43 V44 L45 M50 A306 S310	H43-S47 WeakPolarHBondContact O-CB 3.49Å; H43-S47 PolarHBondContact O-N 3.09Å; H43-S47 PolarHBondContact O-OG 3.09Å; V44-S47 PolarHBondContact O-N 2.94Å; L45-S47 VanDerWaalsContact C-N 3.34Å; L45-S47 PolarHBondContact O-N 3.27Å; S47-M50 WeakPolarHBondContact O-CG 3.34Å; S47-A306 VanDerWaalsContact CB-O 3.3Å; S47-A306 WeakPolarHBondContact CB-O 3.27Å; S47-A306 WeakPolarHBondContact O-CB 3.39Å; S47-S310 WeakPolarHBondContact CB-OG 3.26Å; S47-S310 PolarHBondContact OG-OG 3.16Å
48	L	97.5	Very high	95.6	Very high	58 Å²	58	65.3 Å²	65.3	30%	0.304	37%	0.373	S	S	.	.	H	α-helix	trans	-83	-46.5	172.1	-179	59.9	0	0	0	111.9	V44 L45 E46 M50 L51 W273 L303 A306	V44-L48 PolarHBondContact O-N 3.26Å; L45-L48 PolarHBondContact O-N 3.15Å; E46-L48 PolarHBondContact O-N 2.66Å; L48-M50 PolarHBondContact O-N 2.6Å; L48-L51 HydrophobicContact CD1-CD1 4.35Å; L48-L51 WeakPolarHBondContact O-CB 3.46Å; L48-L51 PolarHBondContact O-N 3.32Å; L48-W273 HydrophobicContact CB-CH2 3.93Å; L48-W273 HydrophobicContact CB-CZ2 3.69Å; L48-W273 HydrophobicContact CD2-CZ2 3.65Å; L48-W273 HydrophobicContact CG-CZ2 4.23Å; L48-L303 HydrophobicContact CD1-CD2 3.86Å; L48-L303 HydrophobicContact CD2-CD2 4.49Å; L48-A306 HydrophobicContact CB-CB 4.02Å; L48-A306 HydrophobicContact CD1-CB 4.16Å
49	S	97.5	Very high	96	Very high	74 Å²	74	70.7 Å²	70.7	52%	0.517	40%	0.395	S	S	.	.	H	α-helix	trans	-63.1	-31.9	-174.5	73.5	0	0	0	0	112.5	L45 E46 L51 G52	L45-S49 WeakPolarHBondContact O-CB 3.41Å; L45-S49 PolarHBondContact O-N 3.01Å; L45-S49 PolarHBondContact O-OG 3.34Å; E46-S49 WeakPolarHBondContact CA-OG 3.3Å; E46-S49 PolarHBondContact O-N 2.99Å; E46-S49 PolarHBondContact O-OG 2.95Å; S49-L51 PolarHBondContact O-N 2.9Å; S49-L51 VanDerWaalsContact O-N 3.14Å; S49-G52 PolarHBondContact O-N 2.83Å
50	M	96.6	Very high	96.3	Very high	57 Å²	57	65.1 Å²	65.1	28%	0.281	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-63	-21	177.2	75.2	-173.1	-39.8	0	0	113.7	E46 S47 L48 G52 K53 R309	E46-M50 WeakPolarHBondContact O-CB 3.37Å; E46-M50 WeakPolarHBondContact O-CG 3.11Å; E46-M50 PolarHBondContact O-N 2.65Å; S47-M50 WeakPolarHBondContact O-CG 3.34Å; L48-M50 PolarHBondContact O-N 2.6Å; M50-G52 PolarHBondContact O-N 3.42Å; M50-K53 HydrophobicContact CB-CD 4.31Å; M50-K53 WeakPolarHBondContact O-CB 3.34Å; M50-K53 PolarHBondContact O-N 3.25Å; M50-R309 WeakPolarHBondContact SD-CD 3.29Å; M50-R309 VanDerWaalsContact SD-CZ 3.6Å; M50-R309 PolarHBondContact SD-NH1 3.09Å
51	L	97.2	Very high	96.7	Very high	6 Å²	6	69 Å²	69	3%	0.031	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-77	-7.2	176.6	-54.2	176.6	0	0	0	112.8	L48 S49 V56 L60 H61 P302 E305 A306	L48-L51 HydrophobicContact CD1-CD1 4.35Å; L48-L51 WeakPolarHBondContact O-CB 3.46Å; L48-L51 PolarHBondContact O-N 3.32Å; S49-L51 PolarHBondContact O-N 2.9Å; S49-L51 VanDerWaalsContact O-N 3.14Å; L51-V56 HydrophobicContact CD2-CG2 4.22Å; L51-L60 HydrophobicContact CD2-CD1 3.96Å; L51-H61 PolarHBondContact O-CE1 3.04Å; L51-H61 PolarHBondContact O-NE2 3.22Å; L51-P302 HydrophobicContact CD1-CB 3.78Å; L51-P302 WeakPolarHBondContact CD1-O 3.5Å; L51-E305 HydrophobicContact CD1-CB 4.18Å; L51-E305 HydrophobicContact CD1-CG 4.32Å; L51-E305 HydrophobicContact CD2-CB 4.35Å; L51-E305 HydrophobicContact CD2-CG 3.68Å; L51-A306 HydrophobicContact CD1-CB 4.11Å
52	G	97	Very high	97	Very high	69 Å²	69	72.5 Å²	72.5	71%	0.711	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-96.1	0.6	170.3	0	0	0	0	0	114	S49 M50	S49-G52 PolarHBondContact O-N 2.83Å; M50-G52 PolarHBondContact O-N 3.42Å
53	K	97.4	Very high	97.2	Very high	108 Å²	108	76.2 Å²	76.2	47%	0.47	41%	0.409	S	S	.	.	S	Bend	trans	-75.3	148	-176.2	-67.5	-179.3	176.3	-176.3	0	111.8	M50 D55 V56	M50-K53 HydrophobicContact CB-CD 4.31Å; M50-K53 WeakPolarHBondContact O-CB 3.34Å; M50-K53 PolarHBondContact O-N 3.25Å; K53-D55 WeakPolarHBondContact CB-OD1 3.46Å; K53-D55 PolarHBondContact O-N 2.88Å; K53-V56 WeakPolarHBondContact O-CB 3.39Å; K53-V56 WeakPolarHBondContact O-CG1 3.49Å; K53-V56 PolarHBondContact O-N 2.75Å; K53-V56 VanDerWaalsContact O-N 3.12Å
54	P	96.1	Very high	97.3	Very high	142 Å²	142	76.3 Å²	76.3	92%	0.922	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-23.7	-178.4	-23.8	34.1	0	0	0	115.2
55	D	95.9	Very high	97.3	Very high	138 Å²	138	79.7 Å²	79.7	74%	0.738	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-0.1	-179.4	65.1	-33.7	0	0	0	113.4	K53	K53-D55 WeakPolarHBondContact CB-OD1 3.46Å; K53-D55 PolarHBondContact O-N 2.88Å
56	V	96.3	Very high	97.2	Very high	32 Å²	32	78.2 Å²	78.2	19%	0.194	42%	0.419	C	S	.	.	S	Bend	trans	-63.8	142.8	176.3	77.1	0	0	0	0	110.6	L51 K53 L60	L51-V56 HydrophobicContact CD2-CG2 4.22Å; K53-V56 WeakPolarHBondContact O-CB 3.39Å; K53-V56 WeakPolarHBondContact O-CG1 3.49Å; K53-V56 PolarHBondContact O-N 2.75Å; K53-V56 VanDerWaalsContact O-N 3.12Å; V56-L60 HydrophobicContact CG2-CD1 3.76Å
57	S	96.8	Very high	97.2	Very high	56 Å²	56	74.2 Å²	74.2	39%	0.392	40%	0.401	S	S	.	.			trans	-58.6	125.6	172.9	-178.1	0	0	0	0	110.2	F59 L60	S57-F59 PolarHBondContact O-N 2.99Å; S57-L60 PolarHBondContact O-N 2.76Å
58	P	97.1	Very high	97.2	Very high	87 Å²	87	74.1 Å²	74.1	57%	0.565	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-62.1	-21.2	179.5	24.9	-34.4	0	0	0	112.6	L60 H61	P58-L60 PolarHBondContact O-N 3.36Å; P58-H61 PolarHBondContact O-N 2.64Å; P58-H61 VanDerWaalsContact O-N 3.15Å
59	F	97.3	Very high	97.3	Very high	159 Å²	159	72.3 Å²	72.3	70%	0.697	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-67.6	-21.2	177.1	-64.9	-64.5	0	0	0	113.7	S57 H61 Q62	S57-F59 PolarHBondContact O-N 2.99Å; F59-H61 PolarHBondContact O-N 3.14Å; F59-Q62 PolarHBondContact O-N 2.89Å; F59-Q62 VanDerWaalsContact O-N 3.08Å
60	L	97.8	Very high	97.3	Very high	24 Å²	24	71.7 Å²	71.7	13%	0.126	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-69.7	-14.4	174	-70.1	172.9	0	0	0	112.7	L51 V56 S57 P58 T301 P302 E305	L51-L60 HydrophobicContact CD2-CD1 3.96Å; V56-L60 HydrophobicContact CG2-CD1 3.76Å; S57-L60 PolarHBondContact O-N 2.76Å; P58-L60 PolarHBondContact O-N 3.36Å; L60-T301 HydrophobicContact CD2-CG2 4.43Å; L60-T301 WeakPolarHBondContact O-CB 3.24Å; L60-T301 WeakPolarHBondContact O-CG2 3.48Å; L60-P302 WeakPolarHBondContact O-CD 3.42Å; L60-P302 WeakPolarHBondContact O-CG 3.45Å; L60-E305 HydrophobicContact CD1-CG 4.18Å; L60-E305 HydrophobicContact CD2-CB 4.18Å; L60-E305 HydrophobicContact CD2-CG 3.94Å
61	H	97.4	Very high	97.4	Very high	97 Å²	97	72.8 Å²	72.8	45%	0.449	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-97	0.6	172.4	-60.9	-83.9	0	0	0	113.5	L51 P58 F59	L51-H61 PolarHBondContact O-CE1 3.04Å; L51-H61 PolarHBondContact O-NE2 3.22Å; P58-H61 PolarHBondContact O-N 2.64Å; P58-H61 VanDerWaalsContact O-N 3.15Å; F59-H61 PolarHBondContact O-N 3.14Å
62	Q	98.2	Very high	97.5	Very high	113 Å²	113	72.5 Å²	72.5	53%	0.528	38%	0.384	S	S	.	.	S	Bend	trans	-103	179.4	177.5	-52.6	-52.8	-41.9	0	0	110.8	F59 T301	F59-Q62 PolarHBondContact O-N 2.89Å; F59-Q62 VanDerWaalsContact O-N 3.08Å; Q62-T301 VanDerWaalsContact O-CB 3.31Å; Q62-T301 WeakPolarHBondContact O-CB 3.36Å; Q62-T301 PolarHBondContact O-OG1 3.33Å
63	Y	98.4	Very high	97.6	Very high	196 Å²	196	69.2 Å²	69.2	77%	0.769	35%	0.35	S	S	*	.			trans	-60.9	141.1	175.4	-64.8	-53	0	0	0	112.1	T298	Y63-T298 HydrophobicContact CD1-CG2 3.76Å; Y63-T298 HydrophobicContact CE1-CG2 4.26Å
64	T	98.3	Very high	97.6	Very high	29 Å²	29	66.7 Å²	66.7	18%	0.178	34%	0.343	C	S	.	.			trans	-108.2	-171.9	168.5	-161.5	0	0	0	0	110.4	S66 H69 T301	T64-S66 PolarHBondContact O-N 3.06Å; T64-H69 HydrophobicContact CG2-CB 3.96Å; T64-H69 PolarHBondContact OG1-ND1 2.81Å; T64-T301 WeakPolarHBondContact CB-OG1 3.25Å; T64-T301 HydrophobicContact CG2-CG2 4.24Å; T64-T301 WeakPolarHBondContact CG2-OG1 3.4Å; T64-T301 PolarHBondContact N-OG1 2.56Å
65	R	97.5	Very high	97.8	Very high	72 Å²	72	60.1 Å²	60.1	27%	0.272	30%	0.301	S	S	.	.			trans	-58.8	130.8	175.2	172.2	178.8	179.3	-95.9	0.7	110.2	M67 G68 L111	R65-M67 VanDerWaalsContact C-N 3.3Å; R65-M67 PolarHBondContact O-N 3.08Å; R65-G68 WeakPolarHBondContact CB-O 3.42Å; R65-G68 CarbonylContact O-C 3.59Å; R65-G68 PolarHBondContact O-N 3.09Å; R65-L111 PolarHBondContact NH2-O 3.02Å
66	S	95	Very high	97.9	Very high	27 Å²	27	53.5 Å²	53.5	19%	0.189	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-43.3	-176.1	46.8	0	0	0	0	114.5	T64 G68 Q292 Y297	T64-S66 PolarHBondContact O-N 3.06Å; S66-G68 VanDerWaalsContact C-N 3.3Å; S66-G68 PolarHBondContact O-N 2.64Å; S66-Q292 PolarHBondContact O-NE2 2.96Å; S66-Y297 CarbonylContact C-O 3.56Å; S66-Y297 VanDerWaalsContact CA-O 3.24Å; S66-Y297 WeakPolarHBondContact CA-O 3.3Å; S66-Y297 WeakPolarHBondContact CB-O 3.08Å
67	M	97.8	Very high	98	Very high	11 Å²	11	52.5 Å²	52.5	5%	0.054	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.1	-176.6	-49.1	-51.9	159.7	0	0	113.7	R65 I115 I116 Q289 Q292 Q293	R65-M67 VanDerWaalsContact C-N 3.3Å; R65-M67 PolarHBondContact O-N 3.08Å; M67-I115 HydrophobicContact CB-CG1 4.39Å; M67-I115 WeakPolarHBondContact O-CA 3.28Å; M67-I115 HydrophobicContact SD-CD1 4.27Å; M67-I116 PolarHBondContact O-N 3.19Å; M67-Q289 HydrophobicContact CB-CG 4.07Å; M67-Q289 HydrophobicContact CE-CB 3.97Å; M67-Q289 VanDerWaalsContact CE-O 3.31Å; M67-Q289 WeakPolarHBondContact CE-O 3.37Å; M67-Q289 HydrophobicContact CG-CB 4Å; M67-Q289 HydrophobicContact CG-CG 3.58Å; M67-Q289 HydrophobicContact SD-CB 3.59Å; M67-Q289 VanDerWaalsContact SD-CB 3.59Å; M67-Q289 HydrophobicContact SD-CG 3.64Å; M67-Q292 HydrophobicContact SD-CB 4.48Å; M67-Q293 HydrophobicContact CE-CB 3.71Å
68	G	98.5	Very high	98.1	Very high	1 Å²	1	56 Å²	56	1%	0.01	27%	0.268	C	S	.	.			trans	140.9	140.4	177.8	0	0	0	0	0	113.6	R65 S66 I116	R65-G68 WeakPolarHBondContact CB-O 3.42Å; R65-G68 CarbonylContact O-C 3.59Å; R65-G68 PolarHBondContact O-N 3.09Å; S66-G68 VanDerWaalsContact C-N 3.3Å; S66-G68 PolarHBondContact O-N 2.64Å; G68-I116 VanDerWaalsContact CA-CG1 3.43Å
69	H	98.6	Very high	98.1	Very high	21 Å²	21	52 Å²	52	10%	0.097	24%	0.242	C	C	.	.			trans	-55.9	127	175	-174.3	59.8	0	0	0	110.5	T64 R71 L72 V73 Q304 E305	T64-H69 HydrophobicContact CG2-CB 3.96Å; T64-H69 PolarHBondContact OG1-ND1 2.81Å; H69-R71 VanDerWaalsContact C-N 3.3Å; H69-R71 PolarHBondContact O-N 2.95Å; H69-L72 HydrophobicContact CB-CB 4.18Å; H69-L72 WeakPolarHBondContact O-CB 3.32Å; H69-L72 PolarHBondContact O-N 3.28Å; H69-V73 PolarHBondContact O-N 3.13Å; H69-Q304 HydrophobicContact CB-CB 3.58Å; H69-Q304 HydrophobicContact CB-CG 4.27Å; H69-E305 IonicContact CD2-OE2 2.83Å; H69-E305 IonicContact NE2-OE2 3.65Å; H69-E305 PolarHBondContact NE2-OE2 2.79Å; H69-E305 VanDerWaalsContact NE2-OE2 3.11Å
70	P	98.6	Very high	98.1	Very high	61 Å²	61	44.5 Å²	44.5	40%	0.396	21%	0.209	S	C	.	.	H	α-helix	trans	-52.9	-41.3	-173.3	-31.4	37	0	0	0	114.7	L72 V73 T74	P70-L72 VanDerWaalsContact C-N 3.35Å; P70-L72 PolarHBondContact O-N 3.03Å; P70-V73 WeakPolarHBondContact O-CG2 3.41Å; P70-T74 VanDerWaalsContact O-CB 3.29Å; P70-T74 WeakPolarHBondContact O-CB 3.18Å; P70-T74 PolarHBondContact O-N 3.07Å; P70-T74 VanDerWaalsContact O-N 3.1Å; P70-T74 PolarHBondContact O-OG1 3.49Å
71	R	98.6	Very high	98.2	Very high	80 Å²	80	43.5 Å²	43.5	30%	0.302	20%	0.203	S	C	.	.	H	α-helix	trans	-62.8	-43	177.7	-164.7	-174.8	-174.9	153.5	3	111.6	H69 T74 V75 E305 A308 R309 E312	H69-R71 VanDerWaalsContact C-N 3.3Å; H69-R71 PolarHBondContact O-N 2.95Å; R71-T74 PolarHBondContact O-N 2.88Å; R71-V75 PolarHBondContact O-N 3.28Å; R71-E305 WeakPolarHBondContact CD-OE2 3.49Å; R71-E305 IonicContact CZ-OE1 2.7Å; R71-E305 IonicContact NH1-OE1 2.67Å; R71-E305 PolarHBondContact NH1-OE1 3.04Å; R71-E305 IonicContact NH1-OE2 3.42Å; R71-A308 HydrophobicContact CB-CB 4.12Å; R71-A308 HydrophobicContact CG-CB 3.89Å; R71-R309 VanDerWaalsContact NH1-NH2 3.18Å; R71-E312 VanDerWaalsContact CG-OE1 3.27Å; R71-E312 WeakPolarHBondContact CG-OE1 3.42Å; R71-E312 IonicContact CZ-OE1 3.27Å; R71-E312 IonicContact CZ-OE2 2.7Å; R71-E312 VanDerWaalsContact CZ-OE2 3.27Å; R71-E312 VanDerWaalsContact NE-CD 3.31Å; R71-E312 IonicContact NE-OE1 3.12Å; R71-E312 PolarHBondContact NE-OE1 2.9Å; R71-E312 IonicContact NE-OE2 3.88Å; R71-E312 PolarHBondContact NE-OE2 2.94Å; R71-E312 VanDerWaalsContact NE-OE2 3.12Å; R71-E312 IonicContact NH2-OE1 2.66Å; R71-E312 IonicContact NH2-OE2 2.81Å; R71-E312 PolarHBondContact NH2-OE2 3.04Å
72	L	98.9	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-50.5	-178.8	-178.9	55.1	0	0	0	111.9	H69 P70 T74 V75 L76 I116 L275 Q304 V307 A308 L311	H69-L72 HydrophobicContact CB-CB 4.18Å; H69-L72 WeakPolarHBondContact O-CB 3.32Å; H69-L72 PolarHBondContact O-N 3.28Å; P70-L72 VanDerWaalsContact C-N 3.35Å; P70-L72 PolarHBondContact O-N 3.03Å; L72-T74 PolarHBondContact O-N 2.92Å; L72-V75 HydrophobicContact CD1-CG1 4.26Å; L72-V75 VanDerWaalsContact O-CG1 3.31Å; L72-V75 WeakPolarHBondContact O-CG1 3.35Å; L72-V75 PolarHBondContact O-N 2.89Å; L72-L76 HydrophobicContact CD1-CD1 3.85Å; L72-L76 HydrophobicContact CD1-CG 3.99Å; L72-L76 HydrophobicContact CG-CD1 3.82Å; L72-L76 HydrophobicContact CG-CG 4.41Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.16Å; L72-L76 PolarHBondContact O-N 3.26Å; L72-I116 HydrophobicContact CD2-CD1 3.64Å; L72-I116 HydrophobicContact CD2-CG1 3.94Å; L72-I116 HydrophobicContact CD2-CG2 4.07Å; L72-I116 HydrophobicContact CG-CD1 3.77Å; L72-I116 HydrophobicContact CG-CG1 4.32Å; L72-L275 HydrophobicContact CD2-CD2 3.66Å; L72-Q304 HydrophobicContact CD2-CB 3.78Å; L72-Q304 HydrophobicContact CD2-CG 3.82Å; L72-V307 HydrophobicContact CD1-CB 4.23Å; L72-V307 HydrophobicContact CD1-CG1 3.71Å; L72-A308 HydrophobicContact CB-CB 3.97Å; L72-A308 HydrophobicContact CD1-CB 4.17Å; L72-L311 HydrophobicContact CD1-CD1 3.72Å
73	V	98.8	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-31.5	179.8	-63.2	0	0	0	0	112	H69 P70 S77 P110 V114 I116	H69-V73 PolarHBondContact O-N 3.13Å; P70-V73 WeakPolarHBondContact O-CG2 3.41Å; V73-S77 WeakPolarHBondContact O-CB 3.4Å; V73-S77 PolarHBondContact O-N 3.1Å; V73-P110 HydrophobicContact CB-CB 4.23Å; V73-P110 WeakPolarHBondContact CB-O 3.47Å; V73-P110 HydrophobicContact CG2-CB 4.09Å; V73-P110 WeakPolarHBondContact O-CB 3.08Å; V73-V114 HydrophobicContact CB-CB 4.28Å; V73-V114 HydrophobicContact CB-CG1 4.17Å; V73-V114 HydrophobicContact CG1-CB 4.33Å; V73-V114 HydrophobicContact CG1-CG1 3.98Å; V73-I116 HydrophobicContact CG1-CD1 3.99Å; V73-I116 HydrophobicContact CG1-CG1 3.75Å
74	T	98.8	Very high	97.9	Very high	54 Å²	54	31 Å²	31	33%	0.331	16%	0.159	S	C	.	.	H	α-helix	trans	-68	-48.1	176.2	-59.2	0	0	0	0	111.9	P70 R71 L72 L76 S77 K78	P70-T74 VanDerWaalsContact O-CB 3.29Å; P70-T74 WeakPolarHBondContact O-CB 3.18Å; P70-T74 PolarHBondContact O-N 3.07Å; P70-T74 VanDerWaalsContact O-N 3.1Å; P70-T74 PolarHBondContact O-OG1 3.49Å; R71-T74 PolarHBondContact O-N 2.88Å; L72-T74 PolarHBondContact O-N 2.92Å; T74-L76 VanDerWaalsContact C-N 3.34Å; T74-S77 PolarHBondContact O-N 3.49Å; T74-K78 WeakPolarHBondContact O-CG 3.36Å; T74-K78 PolarHBondContact O-N 3.45Å; T74-K78 VanDerWaalsContact O-N 3.09Å
75	V	98.7	Very high	97.9	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-68.6	-34.9	178.5	69.2	0	0	0	0	111.7	R71 L72 K78 L79 A308 L311 E312 L315	R71-V75 PolarHBondContact O-N 3.28Å; L72-V75 HydrophobicContact CD1-CG1 4.26Å; L72-V75 VanDerWaalsContact O-CG1 3.31Å; L72-V75 WeakPolarHBondContact O-CG1 3.35Å; L72-V75 PolarHBondContact O-N 2.89Å; V75-K78 PolarHBondContact O-N 2.93Å; V75-L79 VanDerWaalsContact O-CB 3.26Å; V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 PolarHBondContact O-N 3.34Å; V75-A308 HydrophobicContact CG1-CB 4.28Å; V75-L311 HydrophobicContact CG1-CB 3.85Å; V75-L311 HydrophobicContact CG1-CD1 3.95Å; V75-L311 HydrophobicContact CG2-CB 3.83Å; V75-E312 HydrophobicContact CB-CG 4.09Å; V75-E312 HydrophobicContact CG2-CB 4.49Å; V75-E312 HydrophobicContact CG2-CG 3.72Å; V75-L315 HydrophobicContact CG2-CD2 4.17Å
76	L	98.8	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-45.8	173.1	-72.4	168.9	0	0	0	111.6	L72 T74 K78 L79 Y80 V114 I116 W277 L311	L72-L76 HydrophobicContact CD1-CD1 3.85Å; L72-L76 HydrophobicContact CD1-CG 3.99Å; L72-L76 HydrophobicContact CG-CD1 3.82Å; L72-L76 HydrophobicContact CG-CG 4.41Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.16Å; L72-L76 PolarHBondContact O-N 3.26Å; T74-L76 VanDerWaalsContact C-N 3.34Å; L76-K78 VanDerWaalsContact C-N 3.34Å; L76-K78 PolarHBondContact O-N 3.07Å; L76-L79 PolarHBondContact O-N 3.11Å; L76-Y80 HydrophobicContact CB-CD2 4.41Å; L76-Y80 HydrophobicContact CD2-CD2 4.08Å; L76-Y80 HydrophobicContact CD2-CE2 3.62Å; L76-Y80 WeakPolarHBondContact O-CB 3.38Å; L76-Y80 VanDerWaalsContact O-CD2 3.29Å; L76-Y80 WeakPolarHBondContact O-CD2 3.45Å; L76-Y80 PolarHBondContact O-N 2.92Å; L76-V114 HydrophobicContact CB-CG1 4.31Å; L76-V114 HydrophobicContact CD1-CG1 4.11Å; L76-I116 HydrophobicContact CD1-CD1 3.38Å; L76-W277 HydrophobicContact CD1-CB 3.89Å; L76-W277 HydrophobicContact CD1-CD2 3.96Å; L76-W277 HydrophobicContact CD1-CE3 4.09Å; L76-W277 HydrophobicContact CD1-CG 3.86Å; L76-W277 HydrophobicContact CD2-CD2 3.64Å; L76-W277 HydrophobicContact CD2-CE3 3.99Å; L76-W277 HydrophobicContact CD2-CG 4.04Å; L76-W277 HydrophobicContact CD2-CH2 4.29Å; L76-W277 HydrophobicContact CD2-CZ2 3.98Å; L76-W277 HydrophobicContact CD2-CZ3 4.28Å; L76-W277 HydrophobicContact CG-CD2 4.5Å; L76-L311 HydrophobicContact CD2-CD1 3.65Å; L76-L311 HydrophobicContact CG-CD1 4.07Å
77	S	98.7	Very high	97.9	Very high	10 Å²	10	32.6 Å²	32.6	7%	0.07	17%	0.165	C	C	.	.	H	α-helix	trans	-53.7	-51.1	173.8	154.2	0	0	0	0	110.9	V73 T74 L79 Y80 T81 I108	V73-S77 WeakPolarHBondContact O-CB 3.4Å; V73-S77 PolarHBondContact O-N 3.1Å; T74-S77 PolarHBondContact O-N 3.49Å; S77-L79 PolarHBondContact O-N 3.39Å; S77-Y80 PolarHBondContact O-N 2.79Å; S77-T81 PolarHBondContact O-N 3.04Å; S77-T81 PolarHBondContact O-OG1 3.24Å; S77-I108 PolarHBondContact OG-O 2.85Å
78	K	98.2	Very high	97.9	Very high	130 Å²	130	39 Å²	39	57%	0.565	19%	0.188	S	C	*	.	H	α-helix	trans	-59.2	-46.2	177.5	-69.4	175.7	-179.2	-179.8	0	113.2	T74 V75 L76 L315	T74-K78 WeakPolarHBondContact O-CG 3.36Å; T74-K78 PolarHBondContact O-N 3.45Å; T74-K78 VanDerWaalsContact O-N 3.09Å; V75-K78 PolarHBondContact O-N 2.93Å; L76-K78 VanDerWaalsContact C-N 3.34Å; L76-K78 PolarHBondContact O-N 3.07Å; K78-L315 HydrophobicContact CB-CD2 4.06Å
79	L	97.3	Very high	97.8	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-50.7	-179.7	170.7	59.2	0	0	0	110.8	V75 L76 S77 S82 F83 W237 L311 L315 M318	V75-L79 VanDerWaalsContact O-CB 3.26Å; V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 PolarHBondContact O-N 3.34Å; L76-L79 PolarHBondContact O-N 3.11Å; S77-L79 PolarHBondContact O-N 3.39Å; L79-S82 PolarHBondContact O-OG 3.33Å; L79-F83 HydrophobicContact CD1-CE2 3.96Å; L79-F83 WeakPolarHBondContact O-CD2 3.46Å; L79-F83 WeakPolarHBondContact O-CE2 3.25Å; L79-W237 HydrophobicContact CD1-CH2 4.05Å; L79-W237 HydrophobicContact CD1-CZ2 4.2Å; L79-W237 HydrophobicContact CD2-CZ2 4.24Å; L79-L311 HydrophobicContact CD2-CD2 3.78Å; L79-L315 HydrophobicContact CD1-CD1 4.39Å; L79-M318 HydrophobicContact CD1-CE 3.11Å; L79-M318 HydrophobicContact CD1-SD 4.39Å
80	Y	98.4	Very high	97.6	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-87.2	-17.6	-168.9	-77.4	-83.3	0	0	0	114.4	L76 S77 S82 F83 L84 E236 K247 W277 I279	L76-Y80 HydrophobicContact CB-CD2 4.41Å; L76-Y80 HydrophobicContact CD2-CD2 4.08Å; L76-Y80 HydrophobicContact CD2-CE2 3.62Å; L76-Y80 WeakPolarHBondContact O-CB 3.38Å; L76-Y80 VanDerWaalsContact O-CD2 3.29Å; L76-Y80 WeakPolarHBondContact O-CD2 3.45Å; L76-Y80 PolarHBondContact O-N 2.92Å; S77-Y80 PolarHBondContact O-N 2.79Å; Y80-S82 VanDerWaalsContact C-N 3.27Å; Y80-S82 PolarHBondContact O-N 2.79Å; Y80-F83 PolarHBondContact O-N 3.46Å; Y80-L84 WeakPolarHBondContact O-CB 3.29Å; Y80-L84 WeakPolarHBondContact O-CG 3.31Å; Y80-L84 PolarHBondContact O-N 3.49Å; Y80-E236 VanDerWaalsContact CE1-OE2 3.25Å; Y80-E236 WeakPolarHBondContact CE1-OE2 3.11Å; Y80-E236 PolarHBondContact OH-OE1 3.43Å; Y80-K247 HydrophobicContact CD1-CD 4.49Å; Y80-W277 AromaticContact CE2-CE2 3.94Å; Y80-W277 HydrophobicContact CE2-CZ2 4.25Å; Y80-W277 AromaticContact CE2-NE1 3.32Å; Y80-W277 VanDerWaalsContact CE2-NE1 3.32Å; Y80-W277 AromaticContact CZ-NE1 3.33Å; Y80-W277 VanDerWaalsContact CZ-NE1 3.33Å; Y80-W277 VanDerWaalsContact OH-CZ2 3.26Å; Y80-W277 WeakPolarHBondContact OH-CZ2 3.4Å; Y80-W277 PolarHBondContact OH-NE1 3.15Å; Y80-I279 VanDerWaalsContact CB-CD1 3.45Å; Y80-I279 HydrophobicContact CD1-CD1 3.97Å; Y80-I279 HydrophobicContact CD2-CD1 3.26Å; Y80-I279 HydrophobicContact CE2-CD1 3.93Å; Y80-I279 HydrophobicContact CG-CD1 3.28Å
81	T	98.2	Very high	97.6	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-51.4	-48.8	176.9	-75.6	0	0	0	0	110.7	S77 F83 L84 R85 F102 R106 E107 I108	S77-T81 PolarHBondContact O-N 3.04Å; S77-T81 PolarHBondContact O-OG1 3.24Å; T81-F83 PolarHBondContact O-N 3.02Å; T81-L84 PolarHBondContact O-N 3.01Å; T81-R85 HydrophobicContact CG2-CG 4.44Å; T81-R85 VanDerWaalsContact CG2-CZ 3.49Å; T81-R85 WeakPolarHBondContact O-CG 3.27Å; T81-R85 PolarHBondContact O-N 3.18Å; T81-R85 VanDerWaalsContact O-N 3.16Å; T81-F102 HydrophobicContact CG2-CE1 4.35Å; T81-R106 WeakPolarHBondContact CG2-O 3.19Å; T81-E107 WeakPolarHBondContact CB-OE2 3.19Å; T81-E107 VanDerWaalsContact CG2-OE2 3.25Å; T81-E107 WeakPolarHBondContact CG2-OE2 3.36Å; T81-E107 PolarHBondContact OG1-OE2 3.41Å; T81-I108 PolarHBondContact OG1-N 2.75Å
82	S	94.3	Very high	97.4	Very high	70 Å²	70	46.4 Å²	46.4	49%	0.49	23%	0.226	S	C	.	.	H	α-helix	trans	-64.6	-39.2	-175.9	54.7	0	0	0	0	112.6	L79 Y80	L79-S82 PolarHBondContact O-OG 3.33Å; Y80-S82 VanDerWaalsContact C-N 3.27Å; Y80-S82 PolarHBondContact O-N 2.79Å
83	F	96	Very high	97.3	Very high	73 Å²	73	52.4 Å²	52.4	32%	0.32	25%	0.254	S	S	.	.	H	α-helix	trans	-76.8	-21	-178.8	-63.1	-75.7	0	0	0	114	L79 Y80 T81 W237 K247 M318	L79-F83 HydrophobicContact CD1-CE2 3.96Å; L79-F83 WeakPolarHBondContact O-CD2 3.46Å; L79-F83 WeakPolarHBondContact O-CE2 3.25Å; Y80-F83 PolarHBondContact O-N 3.46Å; T81-F83 PolarHBondContact O-N 3.02Å; F83-W237 HydrophobicContact CD2-CH2 4.46Å; F83-W237 AromaticContact CE2-CH2 3.7Å; F83-W237 HydrophobicContact CE2-CH2 3.7Å; F83-W237 HydrophobicContact CE2-CZ3 4.38Å; F83-W237 AromaticContact CZ-CH2 3.72Å; F83-W237 HydrophobicContact CZ-CH2 3.72Å; F83-W237 AromaticContact CZ-CZ3 3.92Å; F83-W237 HydrophobicContact CZ-CZ3 3.92Å; F83-K247 HydrophobicContact CB-CD 3.82Å; F83-M318 HydrophobicContact CE2-CE 4.31Å; F83-M318 HydrophobicContact CE2-SD 3.86Å; F83-M318 HydrophobicContact CZ-SD 3.67Å
84	L	98.3	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-98.9	-12.9	-177.7	-71.6	169.2	0	0	0	113.4	Y80 T81 C86 F102 I108 K247 A249 S250 W255 I279	Y80-L84 WeakPolarHBondContact O-CB 3.29Å; Y80-L84 WeakPolarHBondContact O-CG 3.31Å; Y80-L84 PolarHBondContact O-N 3.49Å; T81-L84 PolarHBondContact O-N 3.01Å; L84-C86 PolarHBondContact O-N 3.43Å; L84-F102 HydrophobicContact CB-CD1 4.24Å; L84-F102 WeakPolarHBondContact O-CB 3.37Å; L84-F102 WeakPolarHBondContact O-CD1 3.32Å; L84-I108 HydrophobicContact CD1-CD1 3.66Å; L84-K247 HydrophobicContact CD2-CB 3.95Å; L84-K247 HydrophobicContact CD2-CD 3.63Å; L84-K247 HydrophobicContact CD2-CG 4.42Å; L84-K247 HydrophobicContact CG-CD 3.96Å; L84-A249 HydrophobicContact CD2-CB 3.55Å; L84-S250 WeakPolarHBondContact O-CA 3.43Å; L84-S250 WeakPolarHBondContact O-CB 3.35Å; L84-W255 HydrophobicContact CD1-CZ3 4.01Å; L84-I279 HydrophobicContact CD1-CB 4.4Å; L84-I279 HydrophobicContact CD1-CG2 3.58Å
85	R	97.7	Very high	96.9	Very high	75 Å²	75	53 Å²	53	28%	0.283	27%	0.268	S	S	.	.	S	Bend	trans	-57.4	124.8	171.7	-83.1	169.9	176.5	173.4	4.3	111.3	T81 D87 F102 P104 R106 E107	T81-R85 HydrophobicContact CG2-CG 4.44Å; T81-R85 VanDerWaalsContact CG2-CZ 3.49Å; T81-R85 WeakPolarHBondContact O-CG 3.27Å; T81-R85 PolarHBondContact O-N 3.18Å; T81-R85 VanDerWaalsContact O-N 3.16Å; R85-D87 PolarHBondContact O-N 2.82Å; R85-F102 HydrophobicContact CG-CD1 4.01Å; R85-F102 HydrophobicContact CG-CE1 3.95Å; R85-P104 WeakPolarHBondContact CD-O 3.3Å; R85-P104 PolarHBondContact NE-O 3.04Å; R85-P104 VanDerWaalsContact NE-O 3.12Å; R85-R106 PolarHBondContact NE-O 2.8Å; R85-R106 PolarHBondContact NH2-O 3.48Å; R85-E107 IonicContact CZ-OE1 2.68Å; R85-E107 IonicContact NH2-OE1 3.68Å; R85-E107 PolarHBondContact NH2-OE1 3.5Å
86	C	97.4	Very high	96.8	Very high	2 Å²	2	58 Å²	58	1%	0.014	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-62	133.6	165.2	-165.6	0	0	0	0	108.9	L84 R88 Y91 F102 S250	L84-C86 PolarHBondContact O-N 3.43Å; C86-R88 PolarHBondContact O-N 3.42Å; C86-Y91 HydrophobicContact CB-CD2 4.22Å; C86-F102 WeakPolarHBondContact CB-O 3.35Å; C86-F102 PolarHBondContact N-O 3.03Å; C86-S250 WeakPolarHBondContact CA-O 3.23Å; C86-S250 WeakPolarHBondContact CB-O 3.45Å; C86-S250 PolarHBondContact SG-O 2.93Å; C86-S250 VanDerWaalsContact SG-O 3.33Å
87	D	96.4	Very high	96.7	Very high	86 Å²	86	60.2 Å²	60.2	46%	0.46	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-53.6	138.3	176.4	171.6	-97.5	0	0	0	110.2	R85 K89 L90 Y91	R85-D87 PolarHBondContact O-N 2.82Å; D87-K89 PolarHBondContact O-N 2.91Å; D87-K89 WeakPolarHBondContact OD1-CA 3.46Å; D87-K89 WeakPolarHBondContact OD1-CB 3.11Å; D87-K89 PolarHBondContact OD1-N 3.22Å; D87-L90 HydrophobicContact CB-CB 4.17Å; D87-L90 HydrophobicContact CB-CD1 4.07Å; D87-L90 HydrophobicContact CB-CG 4.08Å; D87-L90 PolarHBondContact O-N 3.19Å; D87-L90 PolarHBondContact OD1-N 2.93Å; D87-Y91 VanDerWaalsContact O-CB 3.24Å; D87-Y91 WeakPolarHBondContact O-CB 3.29Å; D87-Y91 PolarHBondContact O-N 3.34Å
88	R	97.1	Very high	96.6	Very high	145 Å²	145	63 Å²	63	55%	0.547	33%	0.327	S	S	.	.	H	α-helix	trans	-58.2	-38.8	-174.5	-78.8	-173	-173.3	-83.9	-1.6	112.2	C86 S92 P104 D105	C86-R88 PolarHBondContact O-N 3.42Å; R88-S92 WeakPolarHBondContact O-CB 3.5Å; R88-S92 PolarHBondContact O-N 3.48Å; R88-S92 PolarHBondContact O-OG 2.91Å; R88-P104 HydrophobicContact CB-CB 4.48Å; R88-P104 HydrophobicContact CG-CB 3.42Å; R88-P104 VanDerWaalsContact CG-CB 3.42Å; R88-P104 HydrophobicContact CG-CG 3.9Å; R88-D105 IonicContact CZ-OD1 2.8Å; R88-D105 IonicContact CZ-OD2 3.67Å; R88-D105 IonicContact NH1-OD1 2.66Å; R88-D105 PolarHBondContact NH1-OD1 3.01Å; R88-D105 IonicContact NH1-OD2 3.46Å; R88-D105 PolarHBondContact NH1-OD2 3.02Å; R88-D105 IonicContact NH2-OD1 3.74Å; R88-D105 PolarHBondContact NH2-OD1 2.96Å; R88-D105 IonicContact NH2-OD2 3.69Å
89	K	96.7	Very high	96.6	Very high	131 Å²	131	62.8 Å²	62.8	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-69.4	-53	179.7	-176.2	-172.5	172.2	-172	0	109.7	D87 Y91 S92 E93	D87-K89 PolarHBondContact O-N 2.91Å; D87-K89 WeakPolarHBondContact OD1-CA 3.46Å; D87-K89 WeakPolarHBondContact OD1-CB 3.11Å; D87-K89 PolarHBondContact OD1-N 3.22Å; K89-Y91 VanDerWaalsContact C-N 3.29Å; K89-Y91 PolarHBondContact O-N 3.42Å; K89-S92 PolarHBondContact O-N 3.42Å; K89-S92 VanDerWaalsContact O-N 3.1Å; K89-S92 PolarHBondContact O-OG 3.05Å; K89-E93 WeakPolarHBondContact CE-OE1 3.39Å; K89-E93 WeakPolarHBondContact CG-OE1 3.32Å; K89-E93 WeakPolarHBondContact O-CG 3.29Å; K89-E93 PolarHBondContact O-N 3.42Å
90	L	94.9	Very high	96.6	Very high	48 Å²	48	65.1 Å²	65.1	25%	0.251	35%	0.349	S	S	.	.	H	α-helix	trans	-57.5	-42.7	178.4	-64.6	-179.1	0	0	0	111.9	D87 E93 S94 P252	D87-L90 HydrophobicContact CB-CB 4.17Å; D87-L90 HydrophobicContact CB-CD1 4.07Å; D87-L90 HydrophobicContact CB-CG 4.08Å; D87-L90 PolarHBondContact O-N 3.19Å; D87-L90 PolarHBondContact OD1-N 2.93Å; L90-E93 PolarHBondContact O-N 2.91Å; L90-S94 VanDerWaalsContact O-CB 3.29Å; L90-S94 WeakPolarHBondContact O-CB 3.15Å; L90-S94 PolarHBondContact O-N 3.25Å; L90-P252 HydrophobicContact CB-CG 3.95Å
91	Y	96.8	Very high	96.6	Very high	64 Å²	64	65.5 Å²	65.5	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-48.2	175.9	-176.2	-93.6	0	0	0	111.2	C86 D87 K89 E93 S94 Q98 G103 P104	C86-Y91 HydrophobicContact CB-CD2 4.22Å; D87-Y91 VanDerWaalsContact O-CB 3.24Å; D87-Y91 WeakPolarHBondContact O-CB 3.29Å; D87-Y91 PolarHBondContact O-N 3.34Å; K89-Y91 VanDerWaalsContact C-N 3.29Å; K89-Y91 PolarHBondContact O-N 3.42Å; Y91-E93 VanDerWaalsContact C-N 3.26Å; Y91-E93 PolarHBondContact O-N 3.06Å; Y91-S94 WeakPolarHBondContact O-CB 3.35Å; Y91-S94 PolarHBondContact O-N 2.84Å; Y91-S94 PolarHBondContact O-OG 3.48Å; Y91-Q98 HydrophobicContact CD1-CG 4.41Å; Y91-Q98 HydrophobicContact CD2-CG 4.48Å; Y91-Q98 HydrophobicContact CE1-CG 4.14Å; Y91-Q98 HydrophobicContact CE2-CB 4.15Å; Y91-Q98 HydrophobicContact CE2-CG 4.23Å; Y91-Q98 VanDerWaalsContact O-CG 3.24Å; Y91-Q98 WeakPolarHBondContact O-CG 3.43Å; Y91-Q98 PolarHBondContact O-NE2 2.84Å; Y91-G103 VanDerWaalsContact CE2-CA 3.5Å; Y91-P104 HydrophobicContact CD1-CG 4.19Å; Y91-P104 HydrophobicContact CG-CG 4.39Å
92	S	96.1	Very high	96.6	Very high	76 Å²	76	65.3 Å²	65.3	53%	0.531	35%	0.35	S	S	.	.	H	α-helix	trans	-61.4	-33.5	179	71.4	0	0	0	0	113.4	R88 K89 Q98	R88-S92 WeakPolarHBondContact O-CB 3.5Å; R88-S92 PolarHBondContact O-N 3.48Å; R88-S92 PolarHBondContact O-OG 2.91Å; K89-S92 PolarHBondContact O-N 3.42Å; K89-S92 VanDerWaalsContact O-N 3.1Å; K89-S92 PolarHBondContact O-OG 3.05Å; S92-Q98 PolarHBondContact O-NE2 3.34Å
93	E	96.2	Very high	96.7	Very high	125 Å²	125	62.4 Å²	62.4	58%	0.584	33%	0.331	S	S	*	.	H	α-helix	trans	-86.2	-11.4	-179.4	-67.4	171.2	177.5	0	0	112.9	K89 L90 Y91 G95	K89-E93 WeakPolarHBondContact CE-OE1 3.39Å; K89-E93 WeakPolarHBondContact CG-OE1 3.32Å; K89-E93 WeakPolarHBondContact O-CG 3.29Å; K89-E93 PolarHBondContact O-N 3.42Å; L90-E93 PolarHBondContact O-N 2.91Å; Y91-E93 VanDerWaalsContact C-N 3.26Å; Y91-E93 PolarHBondContact O-N 3.06Å; E93-G95 VanDerWaalsContact C-N 3.25Å; E93-G95 PolarHBondContact O-N 3.4Å
94	S	93.5	Very high	96.8	Very high	17 Å²	17	59.6 Å²	59.6	12%	0.119	32%	0.32	C	S	.	.			trans	-74.6	-4.9	-170.9	68.2	0	0	0	0	116.1	L90 Y91 S96 L97 Q98	L90-S94 VanDerWaalsContact O-CB 3.29Å; L90-S94 WeakPolarHBondContact O-CB 3.15Å; L90-S94 PolarHBondContact O-N 3.25Å; Y91-S94 WeakPolarHBondContact O-CB 3.35Å; Y91-S94 PolarHBondContact O-N 2.84Å; Y91-S94 PolarHBondContact O-OG 3.48Å; S94-S96 PolarHBondContact O-N 2.89Å; S94-S96 VanDerWaalsContact O-N 3.17Å; S94-L97 WeakPolarHBondContact O-CB 3.49Å; S94-L97 PolarHBondContact O-N 3.1Å; S94-Q98 WeakPolarHBondContact OG-CG 3.48Å; S94-Q98 PolarHBondContact OG-N 2.83Å
95	G	95.5	Very high	96.6	Very high	50 Å²	50	64.9 Å²	64.9	52%	0.515	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	53.9	-119.9	174.5	0	0	0	0	0	112.8	E93 L97 Q98	E93-G95 VanDerWaalsContact C-N 3.25Å; E93-G95 PolarHBondContact O-N 3.4Å; G95-L97 PolarHBondContact O-N 3.42Å; G95-Q98 WeakPolarHBondContact O-CG 3.47Å; G95-Q98 PolarHBondContact O-N 3.32Å
96	S	96	Very high	96.6	Very high	109 Å²	109	66 Å²	66	76%	0.762	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-65.9	-20.9	179.9	56.1	0	0	0	0	114	S94 Q98	S94-S96 PolarHBondContact O-N 2.89Å; S94-S96 VanDerWaalsContact O-N 3.17Å; S96-Q98 PolarHBondContact O-N 3.14Å
97	L	97.6	Very high	96.7	Very high	47 Å²	47	71.2 Å²	71.2	25%	0.246	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-75.8	-9	179.6	-60	176.1	0	0	0	113	S94 G95 V99 D100 S101 I223 P252	S94-L97 WeakPolarHBondContact O-CB 3.49Å; S94-L97 PolarHBondContact O-N 3.1Å; G95-L97 PolarHBondContact O-N 3.42Å; L97-V99 VanDerWaalsContact C-N 3.25Å; L97-V99 PolarHBondContact O-N 2.77Å; L97-D100 PolarHBondContact O-N 2.97Å; L97-D100 VanDerWaalsContact O-N 3.09Å; L97-S101 PolarHBondContact O-N 2.88Å; L97-S101 VanDerWaalsContact O-N 3.16Å; L97-S101 PolarHBondContact O-OG 2.76Å; L97-I223 HydrophobicContact CD1-CD1 4.25Å; L97-I223 HydrophobicContact CD2-CD1 4.37Å; L97-I223 HydrophobicContact CD2-CG2 3.95Å; L97-P252 HydrophobicContact CB-CB 4.48Å; L97-P252 HydrophobicContact CD1-CB 4.36Å
98	Q	97	Very high	96.8	Very high	68 Å²	68	67.2 Å²	67.2	32%	0.318	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-55.4	-40.8	178.9	-77.6	-174.7	-1.2	0	0	112.4	Y91 S92 S94 G95 S96 D100 S101	Y91-Q98 HydrophobicContact CD1-CG 4.41Å; Y91-Q98 HydrophobicContact CD2-CG 4.48Å; Y91-Q98 HydrophobicContact CE1-CG 4.14Å; Y91-Q98 HydrophobicContact CE2-CB 4.15Å; Y91-Q98 HydrophobicContact CE2-CG 4.23Å; Y91-Q98 VanDerWaalsContact O-CG 3.24Å; Y91-Q98 WeakPolarHBondContact O-CG 3.43Å; Y91-Q98 PolarHBondContact O-NE2 2.84Å; S92-Q98 PolarHBondContact O-NE2 3.34Å; S94-Q98 WeakPolarHBondContact OG-CG 3.48Å; S94-Q98 PolarHBondContact OG-N 2.83Å; G95-Q98 WeakPolarHBondContact O-CG 3.47Å; G95-Q98 PolarHBondContact O-N 3.32Å; S96-Q98 PolarHBondContact O-N 3.14Å; Q98-D100 PolarHBondContact O-N 2.83Å; Q98-S101 WeakPolarHBondContact O-CB 3.46Å; Q98-S101 PolarHBondContact O-N 3.05Å; Q98-S101 VanDerWaalsContact O-N 3.13Å
99	V	96.2	Very high	96.9	Very high	126 Å²	126	62.8 Å²	62.8	76%	0.764	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-63.6	-28.5	-178.6	70.7	0	0	0	0	112.7	L97	L97-V99 VanDerWaalsContact C-N 3.25Å; L97-V99 PolarHBondContact O-N 2.77Å
100	D	97.9	Very high	97	Very high	52 Å²	52	58.2 Å²	58.2	28%	0.278	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-96.8	-0.5	-178.7	-73.4	-48.3	0	0	0	112.8	L97 Q98 G253 W255 S256	L97-D100 PolarHBondContact O-N 2.97Å; L97-D100 VanDerWaalsContact O-N 3.09Å; Q98-D100 PolarHBondContact O-N 2.83Å; D100-G253 CarbonylContact O-C 3.57Å; D100-W255 WeakPolarHBondContact O-CB 3.19Å; D100-W255 PolarHBondContact O-N 3.49Å; D100-S256 VanDerWaalsContact CB-OG 3.26Å; D100-S256 WeakPolarHBondContact CB-OG 2.96Å; D100-S256 PolarHBondContact O-N 3.41Å; D100-S256 VanDerWaalsContact O-N 3.09Å; D100-S256 VanDerWaalsContact OD1-CB 3.28Å; D100-S256 WeakPolarHBondContact OD1-CB 3.42Å; D100-S256 PolarHBondContact OD1-OG 3.48Å
101	S	98.4	Very high	97.1	Very high	8 Å²	8	60 Å²	60	6%	0.056	34%	0.336	C	S	.	.	S	Bend	trans	-96.5	146.7	-178.3	-57.4	0	0	0	0	111.7	L97 Q98 G103 P252 G253	L97-S101 PolarHBondContact O-N 2.88Å; L97-S101 VanDerWaalsContact O-N 3.16Å; L97-S101 PolarHBondContact O-OG 2.76Å; Q98-S101 WeakPolarHBondContact O-CB 3.46Å; Q98-S101 PolarHBondContact O-N 3.05Å; Q98-S101 VanDerWaalsContact O-N 3.13Å; S101-G103 PolarHBondContact O-N 2.99Å; S101-P252 WeakPolarHBondContact OG-CA 3.47Å; S101-G253 PolarHBondContact OG-N 3.47Å
102	F	98.2	Very high	97.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.35	C	S	.	.			trans	-78.1	92.8	169.4	-166.2	-98.5	0	0	0	108.9	T81 L84 R85 C86 R106 I108 W255	T81-F102 HydrophobicContact CG2-CE1 4.35Å; L84-F102 HydrophobicContact CB-CD1 4.24Å; L84-F102 WeakPolarHBondContact O-CB 3.37Å; L84-F102 WeakPolarHBondContact O-CD1 3.32Å; R85-F102 HydrophobicContact CG-CD1 4.01Å; R85-F102 HydrophobicContact CG-CE1 3.95Å; C86-F102 WeakPolarHBondContact CB-O 3.35Å; C86-F102 PolarHBondContact N-O 3.03Å; F102-R106 HydrophobicContact CD1-CB 4.27Å; F102-R106 HydrophobicContact CD2-CB 4.36Å; F102-R106 HydrophobicContact CD2-CG 4.14Å; F102-R106 HydrophobicContact CE1-CB 3.98Å; F102-R106 HydrophobicContact CE1-CG 4.48Å; F102-R106 HydrophobicContact CE2-CB 4.09Å; F102-R106 HydrophobicContact CE2-CG 3.72Å; F102-R106 HydrophobicContact CG-CB 4.44Å; F102-R106 HydrophobicContact CZ-CB 3.86Å; F102-R106 HydrophobicContact CZ-CG 3.88Å; F102-I108 HydrophobicContact CE1-CG1 4.33Å; F102-I108 HydrophobicContact CE2-CG1 3.89Å; F102-I108 HydrophobicContact CZ-CB 4.48Å; F102-I108 HydrophobicContact CZ-CG1 3.51Å; F102-W255 HydrophobicContact CB-CB 3.75Å; F102-W255 HydrophobicContact CB-CD2 3.86Å; F102-W255 HydrophobicContact CB-CE3 4.07Å; F102-W255 HydrophobicContact CB-CG 3.7Å; F102-W255 AromaticContact CD2-CD2 3.54Å; F102-W255 HydrophobicContact CD2-CD2 3.54Å; F102-W255 AromaticContact CD2-CE2 3.54Å; F102-W255 AromaticContact CD2-CE3 3.84Å; F102-W255 HydrophobicContact CD2-CE3 3.84Å; F102-W255 HydrophobicContact CD2-CG 4.02Å; F102-W255 HydrophobicContact CD2-CH2 4.11Å; F102-W255 AromaticContact CD2-CZ2 3.84Å; F102-W255 HydrophobicContact CD2-CZ2 3.84Å; F102-W255 HydrophobicContact CD2-CZ3 4.13Å; F102-W255 AromaticContact CD2-NE1 3.96Å; F102-W255 HydrophobicContact CE2-CH2 4.2Å; F102-W255 HydrophobicContact CE2-CZ2 4.03Å; F102-W255 HydrophobicContact CG-CD2 4.08Å; F102-W255 HydrophobicContact CG-CE3 4.18Å; F102-W255 HydrophobicContact CG-CG 4.35Å
103	G	97.5	Very high	97.3	Very high	8 Å²	8	59.5 Å²	59.5	8%	0.082	33%	0.326	C	S	.	.			trans	-56.1	156.7	-171.3	0	0	0	0	0	114.7	Y91 S101 D105 R106	Y91-G103 VanDerWaalsContact CE2-CA 3.5Å; S101-G103 PolarHBondContact O-N 2.99Å; G103-D105 PolarHBondContact O-N 2.74Å; G103-R106 VanDerWaalsContact O-CB 3.31Å; G103-R106 WeakPolarHBondContact O-CB 3.38Å; G103-R106 PolarHBondContact O-N 2.87Å
104	P	96.6	Very high	97.5	Very high	15 Å²	15	53.6 Å²	53.6	10%	0.097	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.5	-170.1	26.3	-36.7	0	0	0	114.8	R85 R88 Y91	R85-P104 WeakPolarHBondContact CD-O 3.3Å; R85-P104 PolarHBondContact NE-O 3.04Å; R85-P104 VanDerWaalsContact NE-O 3.12Å; R88-P104 HydrophobicContact CB-CB 4.48Å; R88-P104 HydrophobicContact CG-CB 3.42Å; R88-P104 VanDerWaalsContact CG-CB 3.42Å; R88-P104 HydrophobicContact CG-CG 3.9Å; Y91-P104 HydrophobicContact CD1-CG 4.19Å; Y91-P104 HydrophobicContact CG-CG 4.39Å
105	D	95.9	Very high	97.7	Very high	111 Å²	111	52.8 Å²	52.8	59%	0.594	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	4.6	179.1	-60.8	-60.9	0	0	0	112.3	R88 G103	R88-D105 IonicContact CZ-OD1 2.8Å; R88-D105 IonicContact CZ-OD2 3.67Å; R88-D105 IonicContact NH1-OD1 2.66Å; R88-D105 PolarHBondContact NH1-OD1 3.01Å; R88-D105 IonicContact NH1-OD2 3.46Å; R88-D105 PolarHBondContact NH1-OD2 3.02Å; R88-D105 IonicContact NH2-OD1 3.74Å; R88-D105 PolarHBondContact NH2-OD1 2.96Å; R88-D105 IonicContact NH2-OD2 3.69Å; G103-D105 PolarHBondContact O-N 2.74Å
106	R	97.5	Very high	97.9	Very high	98 Å²	98	50.4 Å²	50.4	37%	0.37	27%	0.268	S	S	.	.			trans	-77.1	150.8	-179.9	-160.2	172.7	-174.3	-103	-4.1	110.7	T81 R85 F102 G103 E113 W255	T81-R106 WeakPolarHBondContact CG2-O 3.19Å; R85-R106 PolarHBondContact NE-O 2.8Å; R85-R106 PolarHBondContact NH2-O 3.48Å; F102-R106 HydrophobicContact CD1-CB 4.27Å; F102-R106 HydrophobicContact CD2-CB 4.36Å; F102-R106 HydrophobicContact CD2-CG 4.14Å; F102-R106 HydrophobicContact CE1-CB 3.98Å; F102-R106 HydrophobicContact CE1-CG 4.48Å; F102-R106 HydrophobicContact CE2-CB 4.09Å; F102-R106 HydrophobicContact CE2-CG 3.72Å; F102-R106 HydrophobicContact CG-CB 4.44Å; F102-R106 HydrophobicContact CZ-CB 3.86Å; F102-R106 HydrophobicContact CZ-CG 3.88Å; G103-R106 VanDerWaalsContact O-CB 3.31Å; G103-R106 WeakPolarHBondContact O-CB 3.38Å; G103-R106 PolarHBondContact O-N 2.87Å; R106-E113 IonicContact CZ-OE1 2.75Å; R106-E113 IonicContact CZ-OE2 2.95Å; R106-E113 IonicContact NH1-OE1 2.94Å; R106-E113 PolarHBondContact NH1-OE1 3.47Å; R106-E113 IonicContact NH1-OE2 2.79Å; R106-E113 PolarHBondContact NH1-OE2 3.46Å; R106-E113 IonicContact NH2-OE1 2.81Å; R106-E113 PolarHBondContact NH2-OE1 3.49Å; R106-E113 IonicContact NH2-OE2 3.88Å; R106-W255 VanDerWaalsContact NH1-CE2 3.32Å
107	E	98.4	Very high	98	Very high	111 Å²	111	45.2 Å²	45.2	52%	0.519	23%	0.231	S	C	.	.			trans	-120.7	142.5	173.2	-70.4	-67.9	159.1	0	0	108.8	T81 R85 D109	T81-E107 WeakPolarHBondContact CB-OE2 3.19Å; T81-E107 VanDerWaalsContact CG2-OE2 3.25Å; T81-E107 WeakPolarHBondContact CG2-OE2 3.36Å; T81-E107 PolarHBondContact OG1-OE2 3.41Å; R85-E107 IonicContact CZ-OE1 2.68Å; R85-E107 IonicContact NH2-OE1 3.68Å; R85-E107 PolarHBondContact NH2-OE1 3.5Å; E107-D109 PolarHBondContact O-N 3.41Å
108	I	98.8	Very high	98.1	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	24%	0.237	C	C	.	.			trans	-72.4	125.1	178.2	-63	170.1	0	0	0	108.4	S77 T81 L84 F102 P110 E113 V114 I279	S77-I108 PolarHBondContact OG-O 2.85Å; T81-I108 PolarHBondContact OG1-N 2.75Å; L84-I108 HydrophobicContact CD1-CD1 3.66Å; F102-I108 HydrophobicContact CE1-CG1 4.33Å; F102-I108 HydrophobicContact CE2-CG1 3.89Å; F102-I108 HydrophobicContact CZ-CB 4.48Å; F102-I108 HydrophobicContact CZ-CG1 3.51Å; I108-P110 VanDerWaalsContact O-CD 3.23Å; I108-P110 WeakPolarHBondContact O-CD 3.27Å; I108-E113 WeakPolarHBondContact CA-OE2 3.37Å; I108-E113 HydrophobicContact CG2-CB 3.75Å; I108-V114 HydrophobicContact CG2-CG2 3.69Å; I108-I279 HydrophobicContact CD1-CG2 3.93Å; I108-I279 HydrophobicContact CG2-CG2 4.26Å
109	D	98.7	Very high	98.1	Very high	52 Å²	52	42.6 Å²	42.6	28%	0.278	22%	0.222	S	C	.	.			trans	-72.3	110.9	172.3	-178.1	-32.8	0	0	0	109.3	E107 L111 K112 E113	E107-D109 PolarHBondContact O-N 3.41Å; D109-L111 PolarHBondContact O-N 3.3Å; D109-L111 VanDerWaalsContact O-N 3.08Å; D109-L111 PolarHBondContact OD1-N 3.24Å; D109-K112 HydrophobicContact CB-CB 4.13Å; D109-K112 PolarHBondContact O-N 3.37Å; D109-K112 PolarHBondContact OD1-N 3.19Å; D109-K112 VanDerWaalsContact OD2-CD 3.24Å; D109-K112 WeakPolarHBondContact OD2-CD 3.39Å; D109-K112 WeakPolarHBondContact OD2-CE 3.47Å; D109-K112 WeakPolarHBondContact OD2-CG 3.44Å; D109-K112 IonicContact OD2-NZ 3.25Å; D109-E113 HydrophobicContact CB-CG 4.21Å; D109-E113 PolarHBondContact N-OE2 2.97Å; D109-E113 WeakPolarHBondContact O-CA 3.37Å; D109-E113 WeakPolarHBondContact O-CB 3.28Å; D109-E113 PolarHBondContact O-N 2.87Å
110	P	98.6	Very high	98.2	Very high	34 Å²	34	37.1 Å²	37.1	22%	0.221	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.1	-174.8	27	-35.4	0	0	0	113.5	V73 I108	V73-P110 HydrophobicContact CB-CB 4.23Å; V73-P110 WeakPolarHBondContact CB-O 3.47Å; V73-P110 HydrophobicContact CG2-CB 4.09Å; V73-P110 WeakPolarHBondContact O-CB 3.08Å; I108-P110 VanDerWaalsContact O-CD 3.23Å; I108-P110 WeakPolarHBondContact O-CD 3.27Å
111	L	98.1	Very high	98.3	Very high	87 Å²	87	39.2 Å²	39.2	46%	0.455	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-26.5	-178.3	-58.4	-176.1	0	0	0	112.5	R65 D109 Q289	R65-L111 PolarHBondContact NH2-O 3.02Å; D109-L111 PolarHBondContact O-N 3.3Å; D109-L111 VanDerWaalsContact O-N 3.08Å; D109-L111 PolarHBondContact OD1-N 3.24Å; L111-Q289 PolarHBondContact O-NE2 3.3Å
112	K	98.5	Very high	98.3	Very high	124 Å²	124	39.6 Å²	39.6	54%	0.539	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-26.8	-174.9	-61.6	-178.1	-168	158.3	0	114.2	D109 A282 I285	D109-K112 HydrophobicContact CB-CB 4.13Å; D109-K112 PolarHBondContact O-N 3.37Å; D109-K112 PolarHBondContact OD1-N 3.19Å; D109-K112 VanDerWaalsContact OD2-CD 3.24Å; D109-K112 WeakPolarHBondContact OD2-CD 3.39Å; D109-K112 WeakPolarHBondContact OD2-CE 3.47Å; D109-K112 WeakPolarHBondContact OD2-CG 3.44Å; D109-K112 IonicContact OD2-NZ 3.25Å; K112-A282 HydrophobicContact CB-CB 4.05Å; K112-A282 WeakPolarHBondContact O-CA 3.46Å; K112-I285 WeakPolarHBondContact O-CB 3.48Å; K112-I285 WeakPolarHBondContact O-CG2 3.23Å
113	E	98.9	Very high	98.3	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.023	20%	0.2	C	C	.	.	S	Bend	trans	-117	6.5	-169	-61.8	-175.5	136.9	0	0	112.7	R106 I108 D109 W255 I279 G280 A282	R106-E113 IonicContact CZ-OE1 2.75Å; R106-E113 IonicContact CZ-OE2 2.95Å; R106-E113 IonicContact NH1-OE1 2.94Å; R106-E113 PolarHBondContact NH1-OE1 3.47Å; R106-E113 IonicContact NH1-OE2 2.79Å; R106-E113 PolarHBondContact NH1-OE2 3.46Å; R106-E113 IonicContact NH2-OE1 2.81Å; R106-E113 PolarHBondContact NH2-OE1 3.49Å; R106-E113 IonicContact NH2-OE2 3.88Å; I108-E113 WeakPolarHBondContact CA-OE2 3.37Å; I108-E113 HydrophobicContact CG2-CB 3.75Å; D109-E113 HydrophobicContact CB-CG 4.21Å; D109-E113 PolarHBondContact N-OE2 2.97Å; D109-E113 WeakPolarHBondContact O-CA 3.37Å; D109-E113 WeakPolarHBondContact O-CB 3.28Å; D109-E113 PolarHBondContact O-N 2.87Å; E113-W255 HydrophobicContact CB-CZ2 4.42Å; E113-W255 HydrophobicContact CG-CZ2 4.33Å; E113-W255 WeakPolarHBondContact OE1-CZ2 3.46Å; E113-I279 VanDerWaalsContact O-CA 3.3Å; E113-I279 WeakPolarHBondContact O-CA 3.15Å; E113-G280 WeakPolarHBondContact CA-O 3.28Å; E113-G280 VanDerWaalsContact CB-O 3.25Å; E113-G280 WeakPolarHBondContact CB-O 3.33Å; E113-G280 PolarHBondContact O-N 2.95Å; E113-A282 HydrophobicContact CG-CB 4.26Å
114	V	98.9	Very high	98.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.3	174.8	-171.2	0	0	0	0	109.7	V73 L76 I108 I116 T278 I279	V73-V114 HydrophobicContact CB-CB 4.28Å; V73-V114 HydrophobicContact CB-CG1 4.17Å; V73-V114 HydrophobicContact CG1-CB 4.33Å; V73-V114 HydrophobicContact CG1-CG1 3.98Å; L76-V114 HydrophobicContact CB-CG1 4.31Å; L76-V114 HydrophobicContact CD1-CG1 4.11Å; I108-V114 HydrophobicContact CG2-CG2 3.69Å; V114-I116 HydrophobicContact CG1-CD1 4.4Å; V114-T278 WeakPolarHBondContact CA-O 3.46Å; V114-I279 HydrophobicContact CG1-CG1 4.41Å; V114-I279 HydrophobicContact CG2-CG1 4.3Å
115	I	98.8	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.6	168.5	-173.7	175	0	0	0	110.1	M67 T117 W277 T278 I285 M288 Q289 Q292	M67-I115 HydrophobicContact CB-CG1 4.39Å; M67-I115 WeakPolarHBondContact O-CA 3.28Å; M67-I115 HydrophobicContact SD-CD1 4.27Å; I115-T117 HydrophobicContact CG1-CG2 4.44Å; I115-T117 HydrophobicContact CG2-CG2 4.4Å; I115-W277 CarbonylContact O-C 3.45Å; I115-W277 WeakPolarHBondContact O-CA 3.05Å; I115-W277 WeakPolarHBondContact O-CB 3.38Å; I115-T278 PolarHBondContact N-O 3.46Å; I115-T278 PolarHBondContact O-N 2.88Å; I115-I285 HydrophobicContact CB-CG2 4.24Å; I115-I285 HydrophobicContact CG2-CD1 4Å; I115-I285 HydrophobicContact CG2-CG2 4.41Å; I115-M288 HydrophobicContact CD1-CB 4.01Å; I115-M288 HydrophobicContact CG2-CB 4.45Å; I115-M288 HydrophobicContact CG2-CE 4.06Å; I115-M288 HydrophobicContact CG2-SD 4.25Å; I115-Q289 HydrophobicContact CD1-CB 4.49Å; I115-Q289 HydrophobicContact CD1-CG 3.9Å; I115-Q289 HydrophobicContact CG1-CG 4.45Å; I115-Q292 HydrophobicContact CD1-CB 4.07Å
116	I	98.9	Very high	98.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.7	173.7	-52	-56.5	0	0	0	110	M67 G68 L72 V73 L76 V114 L275 G276 W277 Q292 C299 Q304	M67-I116 PolarHBondContact O-N 3.19Å; G68-I116 VanDerWaalsContact CA-CG1 3.43Å; L72-I116 HydrophobicContact CD2-CD1 3.64Å; L72-I116 HydrophobicContact CD2-CG1 3.94Å; L72-I116 HydrophobicContact CD2-CG2 4.07Å; L72-I116 HydrophobicContact CG-CD1 3.77Å; L72-I116 HydrophobicContact CG-CG1 4.32Å; V73-I116 HydrophobicContact CG1-CD1 3.99Å; V73-I116 HydrophobicContact CG1-CG1 3.75Å; L76-I116 HydrophobicContact CD1-CD1 3.38Å; V114-I116 HydrophobicContact CG1-CD1 4.4Å; I116-L275 HydrophobicContact CG2-CD1 3.73Å; I116-L275 HydrophobicContact CG2-CD2 4.47Å; I116-L275 HydrophobicContact CG2-CG 4.05Å; I116-G276 WeakPolarHBondContact CG2-O 3.47Å; I116-W277 HydrophobicContact CD1-CB 3.93Å; I116-Q292 PolarHBondContact O-NE2 3.07Å; I116-Q292 PolarHBondContact O-OE1 3.45Å; I116-C299 HydrophobicContact CG2-CB 4.21Å; I116-Q304 HydrophobicContact CG2-CG 4.05Å
117	T	98.8	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	167.8	-172.7	66.5	0	0	0	0	111.4	I115 G119 S123 G276 C299	I115-T117 HydrophobicContact CG1-CG2 4.44Å; I115-T117 HydrophobicContact CG2-CG2 4.4Å; T117-G119 PolarHBondContact O-N 3.37Å; T117-G119 PolarHBondContact OG1-O 3.17Å; T117-S123 WeakPolarHBondContact CG2-OG 3.36Å; T117-S123 PolarHBondContact OG1-N 2.94Å; T117-S123 PolarHBondContact OG1-OG 3.11Å; T117-G276 PolarHBondContact N-O 3.32Å; T117-G276 PolarHBondContact O-N 2.7Å; T117-G276 PolarHBondContact OG1-O 3.04Å; T117-C299 VanDerWaalsContact CA-SG 3.57Å
118	V	98.5	Very high	98.6	Very high	59 Å²	59	26.3 Å²	26.3	36%	0.358	14%	0.135	S	C	.	.	S	Bend	trans	-76.4	71.9	176.5	-171	0	0	0	0	110.5	G122 K274 V296	V118-G122 PolarHBondContact O-N 3Å; V118-K274 CarbonylContact C-O 3.37Å; V118-K274 WeakPolarHBondContact CA-O 3.47Å; V118-K274 HydrophobicContact CG1-CB 4.42Å; V118-V296 HydrophobicContact CG2-CG1 4.4Å; V118-V296 HydrophobicContact CG2-CG2 4.4Å
119	G	98.4	Very high	98.6	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	75.8	168.1	-173.8	0	0	0	0	0	111.7	T117 Y121 G122 S123 K274 L275	T117-G119 PolarHBondContact O-N 3.37Å; T117-G119 PolarHBondContact OG1-O 3.17Å; G119-Y121 PolarHBondContact O-N 3.4Å; G119-Y121 VanDerWaalsContact O-N 3.1Å; G119-G122 WeakPolarHBondContact O-CA 3.29Å; G119-G122 PolarHBondContact O-N 3.43Å; G119-S123 PolarHBondContact O-N 2.92Å; G119-S123 VanDerWaalsContact O-N 3.1Å; G119-K274 VanDerWaalsContact N-C 3.35Å; G119-K274 PolarHBondContact N-O 3.48Å; G119-L275 VanDerWaalsContact CA-C 3.41Å
120	A	98.6	Very high	98.6	Very high	10 Å²	10	26.8 Å²	26.8	8%	0.083	14%	0.144	C	C	.	.	H	α-helix	trans	-57.3	-27	172.3	0	0	0	0	0	113	G122 S123 L124 V234 I261	A120-G122 VanDerWaalsContact C-N 3.3Å; A120-G122 PolarHBondContact O-N 2.9Å; A120-S123 WeakPolarHBondContact O-CB 3.48Å; A120-S123 PolarHBondContact O-N 3.1Å; A120-S123 VanDerWaalsContact O-N 3.16Å; A120-L124 WeakPolarHBondContact O-CG 3.35Å; A120-L124 PolarHBondContact O-N 2.78Å; A120-V234 HydrophobicContact CB-CG1 3.25Å; A120-I261 HydrophobicContact CB-CG2 3.57Å
121	Y	98.3	Very high	98.6	Very high	97 Å²	97	26 Å²	26	38%	0.38	14%	0.138	S	C	.	.	H	α-helix	trans	-60.5	-40.1	171.7	-149.6	-81.3	0	0	0	112.1	G119 F125 F145 C147 M151	G119-Y121 PolarHBondContact O-N 3.4Å; G119-Y121 VanDerWaalsContact O-N 3.1Å; Y121-F125 WeakPolarHBondContact O-CB 3.5Å; Y121-F125 PolarHBondContact O-N 3.34Å; Y121-F145 AromaticContact CD2-CE1 3.95Å; Y121-F145 HydrophobicContact CD2-CE1 3.95Å; Y121-F145 HydrophobicContact CD2-CZ 4.32Å; Y121-F145 HydrophobicContact CE2-CE1 4Å; Y121-F145 HydrophobicContact CE2-CZ 4.26Å; Y121-C147 HydrophobicContact CD2-CB 4.33Å; Y121-C147 HydrophobicContact CE1-CB 4.2Å; Y121-C147 HydrophobicContact CE2-CB 3.38Å; Y121-C147 WeakPolarHBondContact OH-CB 3.32Å; Y121-M151 HydrophobicContact CD1-CE 3.27Å; Y121-M151 HydrophobicContact CD2-CE 4.47Å; Y121-M151 HydrophobicContact CE1-CE 3.1Å; Y121-M151 HydrophobicContact CE2-CE 4.34Å; Y121-M151 HydrophobicContact CG-CE 3.99Å; Y121-M151 WeakPolarHBondContact O-CE 3.17Å
122	G	98.4	Very high	98.6	Very high	16 Å²	16	22.1 Å²	22.1	17%	0.165	12%	0.118	C	C	.	.	H	α-helix	trans	-68.7	-37.4	172.4	0	0	0	0	0	112.5	V118 G119 A120 T126	V118-G122 PolarHBondContact O-N 3Å; G119-G122 WeakPolarHBondContact O-CA 3.29Å; G119-G122 PolarHBondContact O-N 3.43Å; A120-G122 VanDerWaalsContact C-N 3.3Å; A120-G122 PolarHBondContact O-N 2.9Å; G122-T126 WeakPolarHBondContact O-CB 3.33Å; G122-T126 PolarHBondContact O-N 3.29Å; G122-T126 PolarHBondContact O-OG1 3.21Å
123	S	98.8	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.7	-52.2	171.4	-66.6	0	0	0	0	111.9	T117 G119 A120 F125 T126 A127 W277 T278	T117-S123 WeakPolarHBondContact CG2-OG 3.36Å; T117-S123 PolarHBondContact OG1-N 2.94Å; T117-S123 PolarHBondContact OG1-OG 3.11Å; G119-S123 PolarHBondContact O-N 2.92Å; G119-S123 VanDerWaalsContact O-N 3.1Å; A120-S123 WeakPolarHBondContact O-CB 3.48Å; A120-S123 PolarHBondContact O-N 3.1Å; A120-S123 VanDerWaalsContact O-N 3.16Å; S123-F125 PolarHBondContact O-N 3.06Å; S123-T126 PolarHBondContact O-N 3.34Å; S123-A127 VanDerWaalsContact O-CB 3.24Å; S123-A127 WeakPolarHBondContact O-CB 3.48Å; S123-A127 PolarHBondContact O-N 2.94Å; S123-W277 PolarHBondContact OG-O 3.35Å; S123-W277 VanDerWaalsContact OG-O 3.08Å; S123-T278 WeakPolarHBondContact CB-OG1 3.38Å; S123-T278 PolarHBondContact OG-OG1 2.66Å
124	L	98.9	Very high	98.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-58.4	-49.4	178.8	-71.8	161.4	0	0	0	111.3	A120 T126 A127 I128 F145 Y148 M151 L198 I230 D232 I261	A120-L124 WeakPolarHBondContact O-CG 3.35Å; A120-L124 PolarHBondContact O-N 2.78Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-T126 PolarHBondContact O-N 2.91Å; L124-A127 PolarHBondContact O-N 2.94Å; L124-I128 WeakPolarHBondContact O-CB 3.34Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.24Å; L124-I128 PolarHBondContact O-N 3.22Å; L124-F145 HydrophobicContact CD1-CD1 4.45Å; L124-Y148 HydrophobicContact CD1-CD1 4.36Å; L124-Y148 HydrophobicContact CD1-CE1 3.74Å; L124-Y148 HydrophobicContact CD2-CD1 4.19Å; L124-Y148 HydrophobicContact CD2-CE1 3.67Å; L124-Y148 HydrophobicContact CG-CE1 4.34Å; L124-M151 HydrophobicContact CB-CE 4.26Å; L124-M151 HydrophobicContact CB-SD 3.79Å; L124-L198 HydrophobicContact CD2-CD2 4.34Å; L124-I230 HydrophobicContact CD2-CG2 4.25Å; L124-D232 HydrophobicContact CD2-CB 4.36Å; L124-I261 HydrophobicContact CD2-CD1 3.69Å; L124-I261 HydrophobicContact CG-CD1 3.9Å
125	F	98.5	Very high	98.5	Very high	58 Å²	58	27.3 Å²	27.3	25%	0.254	17%	0.165	S	C	.	.	H	α-helix	trans	-59.4	-46.3	178.8	180	-105.1	0	0	0	111.8	Y121 S123 S129 M151 M154 H291	Y121-F125 WeakPolarHBondContact O-CB 3.5Å; Y121-F125 PolarHBondContact O-N 3.34Å; S123-F125 PolarHBondContact O-N 3.06Å; F125-S129 WeakPolarHBondContact O-CB 3.45Å; F125-S129 PolarHBondContact O-N 3.2Å; F125-S129 PolarHBondContact O-OG 3.2Å; F125-M151 HydrophobicContact CB-CE 3.82Å; F125-M151 HydrophobicContact CB-SD 4.04Å; F125-M151 HydrophobicContact CD2-CG 4.22Å; F125-M151 PolarHBondContact N-SD 2.9Å; F125-M154 HydrophobicContact CE2-CE 4.28Å; F125-M154 HydrophobicContact CE2-SD 3.94Å; F125-M154 HydrophobicContact CZ-CE 4.36Å; F125-H291 AromaticContact CD1-CE1 3.92Å; F125-H291 AromaticContact CE1-CE1 3.62Å; F125-H291 AromaticContact CE1-NE2 3.93Å
126	T	98.5	Very high	98.5	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-42.6	-178.7	-59.8	0	0	0	0	111.3	G122 S123 L124 A130 M288 H291	G122-T126 WeakPolarHBondContact O-CB 3.33Å; G122-T126 PolarHBondContact O-N 3.29Å; G122-T126 PolarHBondContact O-OG1 3.21Å; S123-T126 PolarHBondContact O-N 3.34Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-T126 PolarHBondContact O-N 2.91Å; T126-A130 WeakPolarHBondContact O-CB 3.45Å; T126-A130 PolarHBondContact O-N 3.44Å; T126-M288 HydrophobicContact CG2-CB 3.67Å; T126-M288 HydrophobicContact CG2-CE 3.78Å; T126-M288 HydrophobicContact CG2-CG 4.04Å; T126-M288 WeakPolarHBondContact CG2-O 3.3Å; T126-H291 HydrophobicContact CG2-CB 4.18Å
127	A	98.8	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-49.7	179.1	0	0	0	0	0	111	S123 L124 A130 L131 I230 L259 M288	S123-A127 VanDerWaalsContact O-CB 3.24Å; S123-A127 WeakPolarHBondContact O-CB 3.48Å; S123-A127 PolarHBondContact O-N 2.94Å; L124-A127 PolarHBondContact O-N 2.94Å; A127-A130 PolarHBondContact O-N 2.76Å; A127-L131 VanDerWaalsContact O-CB 3.29Å; A127-L131 WeakPolarHBondContact O-CB 3.5Å; A127-L131 WeakPolarHBondContact O-CG 3.37Å; A127-L131 PolarHBondContact O-N 2.98Å; A127-L131 VanDerWaalsContact O-N 3.08Å; A127-I230 HydrophobicContact CB-CD1 3.86Å; A127-I230 HydrophobicContact CB-CG1 4.48Å; A127-L259 HydrophobicContact CB-CD1 3.75Å; A127-M288 HydrophobicContact CB-CE 3.94Å; A127-M288 HydrophobicContact CB-SD 4.08Å
128	I	98.8	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-47.7	177.9	-66.4	168.3	0	0	0	110.1	L124 A130 L131 V132 M151 A155 L198 I230	L124-I128 WeakPolarHBondContact O-CB 3.34Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.24Å; L124-I128 PolarHBondContact O-N 3.22Å; I128-A130 VanDerWaalsContact C-N 3.3Å; I128-A130 PolarHBondContact O-N 3.14Å; I128-L131 PolarHBondContact O-N 3.35Å; I128-V132 HydrophobicContact CG2-CB 4.33Å; I128-V132 HydrophobicContact CG2-CG2 3.99Å; I128-V132 VanDerWaalsContact O-CB 3.25Å; I128-V132 WeakPolarHBondContact O-CB 3.46Å; I128-V132 WeakPolarHBondContact O-CG2 3.39Å; I128-V132 PolarHBondContact O-N 2.94Å; I128-M151 HydrophobicContact CD1-CB 3.74Å; I128-M151 HydrophobicContact CD1-SD 4.09Å; I128-M151 HydrophobicContact CG2-CB 4.35Å; I128-A155 HydrophobicContact CG2-CB 4.16Å; I128-L198 HydrophobicContact CD1-CD1 4.26Å; I128-L198 HydrophobicContact CD1-CD2 4.5Å; I128-I230 HydrophobicContact CG1-CD1 4.03Å
129	S	98.2	Very high	98.6	Very high	33 Å²	33	27.1 Å²	27.1	23%	0.231	16%	0.161	C	C	.	.	H	α-helix	trans	-68.7	-27	-178.2	-55.1	0	0	0	0	113.7	F125 H291	F125-S129 WeakPolarHBondContact O-CB 3.45Å; F125-S129 PolarHBondContact O-N 3.2Å; F125-S129 PolarHBondContact O-OG 3.2Å; S129-H291 WeakPolarHBondContact CB-NE2 3.16Å
130	A	98.4	Very high	98.6	Very high	31 Å²	31	27 Å²	27	26%	0.256	16%	0.16	S	C	.	.	H	α-helix	trans	-82.8	-19.9	176.8	0	0	0	0	0	113.1	T126 A127 I128 A287 M288 H291	T126-A130 WeakPolarHBondContact O-CB 3.45Å; T126-A130 PolarHBondContact O-N 3.44Å; A127-A130 PolarHBondContact O-N 2.76Å; I128-A130 VanDerWaalsContact C-N 3.3Å; I128-A130 PolarHBondContact O-N 3.14Å; A130-A287 HydrophobicContact CB-CB 4.16Å; A130-M288 HydrophobicContact CB-CG 4.4Å; A130-H291 HydrophobicContact CB-CB 4.23Å
131	L	98.6	Very high	98.6	Very high	17 Å²	17	27 Å²	27	9%	0.089	16%	0.159	C	C	.	.	H	α-helix	trans	-112.6	-23.2	-173.6	-63.5	177.5	0	0	0	114	A127 I128 K195 V196 V228 I230 L259 L284	A127-L131 VanDerWaalsContact O-CB 3.29Å; A127-L131 WeakPolarHBondContact O-CB 3.5Å; A127-L131 WeakPolarHBondContact O-CG 3.37Å; A127-L131 PolarHBondContact O-N 2.98Å; A127-L131 VanDerWaalsContact O-N 3.08Å; I128-L131 PolarHBondContact O-N 3.35Å; L131-K195 WeakPolarHBondContact O-CD 3.34Å; L131-K195 WeakPolarHBondContact O-CE 3.34Å; L131-K195 PolarHBondContact O-NZ 3.45Å; L131-V196 HydrophobicContact CB-CG2 4.29Å; L131-V228 HydrophobicContact CD1-CG1 3.83Å; L131-I230 HydrophobicContact CD1-CD1 4.2Å; L131-I230 HydrophobicContact CD1-CG1 4.41Å; L131-L259 HydrophobicContact CD1-CD1 3.65Å; L131-L284 HydrophobicContact CD2-CD2 3.86Å
132	V	98.7	Very high	98.6	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.036	14%	0.14	C	C	.	.			trans	-105.7	122.5	-172.2	178.4	0	0	0	0	110.2	I128 D136 V138 A155 V196	I128-V132 HydrophobicContact CG2-CB 4.33Å; I128-V132 HydrophobicContact CG2-CG2 3.99Å; I128-V132 VanDerWaalsContact O-CB 3.25Å; I128-V132 WeakPolarHBondContact O-CB 3.46Å; I128-V132 WeakPolarHBondContact O-CG2 3.39Å; I128-V132 PolarHBondContact O-N 2.94Å; V132-D136 HydrophobicContact CG1-CB 4.06Å; V132-V138 HydrophobicContact CG1-CG2 4.07Å; V132-V138 HydrophobicContact CG2-CG2 3.62Å; V132-A155 HydrophobicContact CB-CB 4.05Å; V132-A155 HydrophobicContact CG1-CB 4.09Å; V132-V196 HydrophobicContact CG2-CG2 4.03Å
133	D	98.1	Very high	98.6	Very high	100 Å²	100	21.6 Å²	21.6	54%	0.535	13%	0.133	S	C	.	.			trans	-97.1	163.8	171.7	-78	-58.3	0	0	0	111.6	G135 D136 K195	D133-G135 PolarHBondContact O-N 2.92Å; D133-G135 VanDerWaalsContact O-N 3.14Å; D133-D136 WeakPolarHBondContact CB-OD2 3.32Å; D133-D136 PolarHBondContact N-OD2 2.89Å; D133-D136 WeakPolarHBondContact O-CB 3.23Å; D133-D136 PolarHBondContact O-N 3.18Å; D133-K195 IonicContact OD2-NZ 2.9Å; D133-K195 PolarHBondContact OD2-NZ 3.03Å
134	P	98	Very high	98.5	Very high	106 Å²	106	21.9 Å²	21.9	69%	0.688	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	119.9	173.2	-28.3	36.6	0	0	0	113.2	G156	P134-G156 WeakPolarHBondContact CA-O 3.39Å
135	G	98.1	Very high	98.4	Very high	32 Å²	32	23.7 Å²	23.7	33%	0.33	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-8.5	179.7	0	0	0	0	0	115.4	D133 G156	D133-G135 PolarHBondContact O-N 2.92Å; D133-G135 VanDerWaalsContact O-N 3.14Å; G135-G156 PolarHBondContact N-O 3.36Å
136	D	98.8	Very high	98.1	Very high	32 Å²	32	22 Å²	22	17%	0.171	14%	0.136	C	C	.	.			trans	-64.8	143.5	169.5	-73.2	-19.1	0	0	0	110.2	V132 D133 G157 V158 K195	V132-D136 HydrophobicContact CG1-CB 4.06Å; D133-D136 WeakPolarHBondContact CB-OD2 3.32Å; D133-D136 PolarHBondContact N-OD2 2.89Å; D133-D136 WeakPolarHBondContact O-CB 3.23Å; D133-D136 PolarHBondContact O-N 3.18Å; D136-G157 CarbonylContact O-C 3.53Å; D136-G157 WeakPolarHBondContact O-CA 3.25Å; D136-V158 PolarHBondContact O-N 2.86Å; D136-K195 HydrophobicContact CB-CB 4.34Å; D136-K195 HydrophobicContact CB-CD 4.2Å; D136-K195 WeakPolarHBondContact OD2-CD 3.15Å; D136-K195 WeakPolarHBondContact OD2-CE 3.32Å; D136-K195 IonicContact OD2-NZ 3.78Å; D136-K195 PolarHBondContact OD2-NZ 3.5Å
137	E	98.9	Very high	98	Very high	24 Å²	24	21.8 Å²	21.8	11%	0.112	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.5	177.8	-72.8	167.9	-176.8	0	0	110.9	V158 I160 T191 K193 T194 K195	E137-V158 WeakPolarHBondContact CA-O 3.4Å; E137-V158 HydrophobicContact CG-CB 4.18Å; E137-I160 HydrophobicContact CB-CG1 3.77Å; E137-I160 HydrophobicContact CG-CD1 4.03Å; E137-I160 HydrophobicContact CG-CG1 3.76Å; E137-T191 VanDerWaalsContact CD-OG1 3.24Å; E137-T191 PolarHBondContact OE1-OG1 3.03Å; E137-T191 WeakPolarHBondContact OE2-CB 3.37Å; E137-T191 WeakPolarHBondContact OE2-CG2 3.38Å; E137-T191 PolarHBondContact OE2-OG1 2.83Å; E137-K193 HydrophobicContact CB-CB 4.38Å; E137-K193 HydrophobicContact CG-CB 3.94Å; E137-K193 PolarHBondContact N-O 3.31Å; E137-T194 PolarHBondContact OE2-OG1 3.49Å; E137-K195 PolarHBondContact O-N 3.34Å
138	V	98.9	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.2	176.4	-177.8	0	0	0	0	108.8	V132 I140 T152 V158 I160 V196 L198	V132-V138 HydrophobicContact CG1-CG2 4.07Å; V132-V138 HydrophobicContact CG2-CG2 3.62Å; V138-I140 HydrophobicContact CG1-CG1 4.25Å; V138-I140 PolarHBondContact O-N 2.89Å; V138-T152 HydrophobicContact CB-CG2 3.73Å; V138-T152 HydrophobicContact CG2-CG2 3.57Å; V138-V158 PolarHBondContact N-O 2.83Å; V138-I160 PolarHBondContact O-N 3.08Å; V138-V196 CarbonylContact C-O 3.54Å; V138-V196 WeakPolarHBondContact CA-O 3.3Å; V138-V196 HydrophobicContact CG1-CB 4.08Å; V138-V196 HydrophobicContact CG1-CG1 4.03Å; V138-V196 HydrophobicContact CG2-CB 4.22Å; V138-L198 HydrophobicContact CG1-CD1 3.69Å; V138-L198 HydrophobicContact CG1-CG 4.16Å
139	I	98.9	Very high	97.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.2	174.8	-63.4	-75.4	0	0	0	109.2	I160 V162 L186 K189 T194 V196 L197 L198	I139-I160 CarbonylContact C-O 3.49Å; I139-I160 VanDerWaalsContact CA-O 3.32Å; I139-I160 WeakPolarHBondContact CA-O 3.43Å; I139-I160 HydrophobicContact CD1-CB 3.86Å; I139-I160 HydrophobicContact CD1-CG2 3.66Å; I139-V162 HydrophobicContact CD1-CG2 4.42Å; I139-V162 HydrophobicContact CG2-CG2 4.23Å; I139-L186 HydrophobicContact CD1-CD1 4.38Å; I139-L186 HydrophobicContact CG1-CD1 4.46Å; I139-L186 HydrophobicContact CG2-CD1 3.63Å; I139-K189 HydrophobicContact CD1-CB 3.95Å; I139-T194 HydrophobicContact CD1-CG2 4.31Å; I139-T194 HydrophobicContact CG1-CG2 3.63Å; I139-V196 PolarHBondContact N-O 2.84Å; I139-L197 HydrophobicContact CB-CB 4.27Å; I139-L197 HydrophobicContact CB-CG 4.31Å; I139-L197 HydrophobicContact CG2-CD1 4.2Å; I139-L197 HydrophobicContact CG2-CG 4.21Å; I139-L198 PolarHBondContact O-N 2.82Å
140	I	98.8	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.2	177.8	-60.6	-178.5	0	0	0	108.5	V138 S144 Y148 P159 I160 Y161 V162 L198	V138-I140 HydrophobicContact CG1-CG1 4.25Å; V138-I140 PolarHBondContact O-N 2.89Å; I140-S144 WeakPolarHBondContact CG2-OG 3.38Å; I140-Y148 HydrophobicContact CG2-CD2 4.37Å; I140-P159 HydrophobicContact CD1-CB 3.99Å; I140-I160 PolarHBondContact N-O 3.38Å; I140-Y161 HydrophobicContact CB-CD1 3.97Å; I140-Y161 HydrophobicContact CB-CE1 4.22Å; I140-Y161 HydrophobicContact CD1-CE1 4.24Å; I140-Y161 HydrophobicContact CG2-CD1 4.17Å; I140-Y161 HydrophobicContact CG2-CE1 4.31Å; I140-Y161 WeakPolarHBondContact O-CA 3.39Å; I140-V162 PolarHBondContact O-N 3.35Å; I140-L198 HydrophobicContact CD1-CD1 4.43Å; I140-L198 HydrophobicContact CG1-CD1 3.98Å
141	M	98.5	Very high	97.8	Very high	9 Å²	9	23 Å²	23	4%	0.044	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.6	177.7	-57.1	178.8	-148.6	0	0	110.3	P143 S144 V162 L164 L181 L197 L199 F210 I218	M141-P143 CarbonylContact O-C 3.54Å; M141-S144 WeakPolarHBondContact O-CA 2.92Å; M141-S144 VanDerWaalsContact O-CB 3.27Å; M141-S144 WeakPolarHBondContact O-CB 3.35Å; M141-S144 PolarHBondContact O-N 2.74Å; M141-V162 CarbonylContact C-O 3.51Å; M141-V162 WeakPolarHBondContact CA-O 3.38Å; M141-L164 HydrophobicContact CB-CD1 3.82Å; M141-L181 HydrophobicContact CE-CD2 4.42Å; M141-L181 HydrophobicContact SD-CD1 4.49Å; M141-L181 HydrophobicContact SD-CD2 4.03Å; M141-L197 HydrophobicContact CE-CD1 4.12Å; M141-L197 HydrophobicContact CE-CD2 3.52Å; M141-L197 HydrophobicContact CE-CG 3.95Å; M141-L199 HydrophobicContact CE-CD1 4.2Å; M141-F210 HydrophobicContact SD-CZ 4.22Å; M141-I218 HydrophobicContact CE-CD1 4.23Å
142	D	98.2	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	139.3	177.6	-89.9	-16.1	0	0	0	110.6	S144 V162 P163 L164 Y404 S405 N408	D142-S144 PolarHBondContact OD1-OG 3.28Å; D142-V162 PolarHBondContact N-O 2.92Å; D142-P163 HydrophobicContact CB-CB 3.96Å; D142-P163 CarbonylContact O-C 3.56Å; D142-P163 VanDerWaalsContact O-CA 3.3Å; D142-P163 WeakPolarHBondContact O-CA 3.29Å; D142-L164 PolarHBondContact O-N 2.92Å; D142-Y404 HydrophobicContact CB-CD1 3.65Å; D142-Y404 HydrophobicContact CB-CE1 4.02Å; D142-Y404 HydrophobicContact CB-CG 4.49Å; D142-S405 PolarHBondContact OD1-N 3.24Å; D142-S405 VanDerWaalsContact OD2-CB 3.25Å; D142-S405 WeakPolarHBondContact OD2-CB 3.19Å; D142-S405 PolarHBondContact OD2-N 3.31Å; D142-S405 PolarHBondContact OD2-OG 2.69Å; D142-N408 WeakPolarHBondContact OD2-CB 3.31Å; D142-N408 PolarHBondContact OD2-ND2 2.8Å
143	P	98.3	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.142	C	C	.	.	S	Bend	cis	-66.1	145.1	-7.4	28.2	-30.4	0	0	0	110.4	M141 H203 P205 L206 M400 F403 Y404	M141-P143 CarbonylContact O-C 3.54Å; P143-H203 PolarHBondContact O-CE1 2.6Å; P143-H203 PolarHBondContact O-NE2 3.08Å; P143-P205 HydrophobicContact CB-CG 3.93Å; P143-P205 HydrophobicContact CG-CG 4Å; P143-L206 HydrophobicContact CG-CD1 3.86Å; P143-L206 HydrophobicContact CG-CD2 3.84Å; P143-L206 HydrophobicContact CG-CG 3.69Å; P143-M400 HydrophobicContact CB-CE 4.23Å; P143-M400 HydrophobicContact CG-CE 4.01Å; P143-F403 CarbonylContact C-O 3.53Å; P143-F403 VanDerWaalsContact CA-O 3.23Å; P143-F403 WeakPolarHBondContact CA-O 3.27Å; P143-F403 HydrophobicContact CB-CB 3.7Å; P143-Y404 HydrophobicContact CB-CD2 4.01Å; P143-Y404 HydrophobicContact CB-CE1 4.36Å; P143-Y404 HydrophobicContact CB-CE2 3.62Å; P143-Y404 WeakPolarHBondContact CD-OH 3.42Å; P143-Y404 HydrophobicContact CG-CE2 4.15Å
144	S	97.8	Very high	97.6	Very high	6 Å²	6	21.3 Å²	21.3	4%	0.042	13%	0.129	C	C	.	.			trans	-120.9	154.6	-179.9	47.6	0	0	0	0	111.2	I140 M141 D142 D146 F403	I140-S144 WeakPolarHBondContact CG2-OG 3.38Å; M141-S144 WeakPolarHBondContact O-CA 2.92Å; M141-S144 VanDerWaalsContact O-CB 3.27Å; M141-S144 WeakPolarHBondContact O-CB 3.35Å; M141-S144 PolarHBondContact O-N 2.74Å; D142-S144 PolarHBondContact OD1-OG 3.28Å; S144-D146 PolarHBondContact O-N 3.45Å; S144-F403 PolarHBondContact N-O 3.37Å; S144-F403 WeakPolarHBondContact O-CB 3.29Å; S144-F403 WeakPolarHBondContact O-CD1 3.31Å; S144-F403 PolarHBondContact OG-O 3.06Å
145	F	96.8	Very high	97.6	Very high	38 Å²	38	17.2 Å²	17.2	17%	0.167	10%	0.104	C	C	.	.			trans	-61.2	135	167.8	-175.6	-125.6	0	0	0	109.6	Y121 L124 C147 Y148 N204	Y121-F145 AromaticContact CD2-CE1 3.95Å; Y121-F145 HydrophobicContact CD2-CE1 3.95Å; Y121-F145 HydrophobicContact CD2-CZ 4.32Å; Y121-F145 HydrophobicContact CE2-CE1 4Å; Y121-F145 HydrophobicContact CE2-CZ 4.26Å; L124-F145 HydrophobicContact CD1-CD1 4.45Å; F145-C147 WeakPolarHBondContact CD1-SG 3.43Å; F145-C147 HydrophobicContact CE1-CB 4.37Å; F145-C147 WeakPolarHBondContact CE1-SG 3.36Å; F145-C147 PolarHBondContact O-N 3.35Å; F145-Y148 HydrophobicContact CB-CD1 4.42Å; F145-Y148 HydrophobicContact CB-CD2 4.45Å; F145-Y148 HydrophobicContact CB-CE1 3.88Å; F145-Y148 HydrophobicContact CB-CE2 3.91Å; F145-Y148 AromaticContact CD1-CE1 3.98Å; F145-Y148 HydrophobicContact CD1-CE1 3.98Å; F145-Y148 HydrophobicContact CG-CE1 4.45Å; F145-Y148 PolarHBondContact O-N 3.21Å; F145-Y148 VanDerWaalsContact O-N 3.17Å; F145-N204 WeakPolarHBondContact CD2-ND2 3.48Å
146	D	92.4	Very high	97.5	Very high	23 Å²	23	17.2 Å²	17.2	12%	0.123	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.5	-158.9	63.7	-76.6	0	0	0	114.4	I15 W16 S144 P150	I15-D146 HydrophobicContact CG1-CB 4.27Å; W16-D146 PolarHBondContact NE1-OD1 3.37Å; W16-D146 PolarHBondContact NE1-OD2 3.39Å; W16-D146 VanDerWaalsContact NE1-OD2 3.11Å; S144-D146 PolarHBondContact O-N 3.45Å; D146-P150 WeakPolarHBondContact O-CD 2.83Å; D146-P150 WeakPolarHBondContact O-CG 3.41Å
147	C	96.4	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-16.1	-174	75.1	0	0	0	0	115.1	Y121 F145 T149 P150 M151	Y121-C147 HydrophobicContact CD2-CB 4.33Å; Y121-C147 HydrophobicContact CE1-CB 4.2Å; Y121-C147 HydrophobicContact CE2-CB 3.38Å; Y121-C147 WeakPolarHBondContact OH-CB 3.32Å; F145-C147 WeakPolarHBondContact CD1-SG 3.43Å; F145-C147 HydrophobicContact CE1-CB 4.37Å; F145-C147 WeakPolarHBondContact CE1-SG 3.36Å; F145-C147 PolarHBondContact O-N 3.35Å; C147-T149 VanDerWaalsContact C-N 3.33Å; C147-T149 PolarHBondContact O-N 2.97Å; C147-P150 VanDerWaalsContact O-CD 3.28Å; C147-P150 WeakPolarHBondContact O-CD 3.41Å; C147-P150 WeakPolarHBondContact O-CG 3.49Å; C147-M151 HydrophobicContact CB-CE 3.87Å; C147-M151 HydrophobicContact CB-SD 4.31Å; C147-M151 VanDerWaalsContact O-CB 3.28Å; C147-M151 WeakPolarHBondContact O-CB 3.2Å; C147-M151 WeakPolarHBondContact O-CG 3.31Å; C147-M151 PolarHBondContact O-N 2.68Å
148	Y	98.2	Very high	97.5	Very high	5 Å²	5	18 Å²	18	2%	0.02	11%	0.112	C	C	.	.	H	α-helix	trans	-58.3	-46.7	-176.8	-65.4	-8	0	0	0	111.7	L124 I140 F145 T152 L198 N200 D232	L124-Y148 HydrophobicContact CD1-CD1 4.36Å; L124-Y148 HydrophobicContact CD1-CE1 3.74Å; L124-Y148 HydrophobicContact CD2-CD1 4.19Å; L124-Y148 HydrophobicContact CD2-CE1 3.67Å; L124-Y148 HydrophobicContact CG-CE1 4.34Å; I140-Y148 HydrophobicContact CG2-CD2 4.37Å; F145-Y148 HydrophobicContact CB-CD1 4.42Å; F145-Y148 HydrophobicContact CB-CD2 4.45Å; F145-Y148 HydrophobicContact CB-CE1 3.88Å; F145-Y148 HydrophobicContact CB-CE2 3.91Å; F145-Y148 AromaticContact CD1-CE1 3.98Å; F145-Y148 HydrophobicContact CD1-CE1 3.98Å; F145-Y148 HydrophobicContact CG-CE1 4.45Å; F145-Y148 PolarHBondContact O-N 3.21Å; F145-Y148 VanDerWaalsContact O-N 3.17Å; Y148-T152 WeakPolarHBondContact O-CB 3.3Å; Y148-T152 PolarHBondContact O-N 2.96Å; Y148-T152 PolarHBondContact O-OG1 3.42Å; Y148-L198 HydrophobicContact CD1-CD1 4.46Å; Y148-L198 HydrophobicContact CD2-CB 4.36Å; Y148-L198 HydrophobicContact CD2-CD1 4.28Å; Y148-L198 HydrophobicContact CG-CD1 3.93Å; Y148-N200 HydrophobicContact CE2-CB 4.32Å; Y148-N200 WeakPolarHBondContact OH-CB 3.29Å; Y148-D232 VanDerWaalsContact OH-CB 3.31Å; Y148-D232 WeakPolarHBondContact OH-CB 3.23Å; Y148-D232 VanDerWaalsContact OH-CG 3.3Å; Y148-D232 PolarHBondContact OH-OD2 3.31Å
149	T	97.1	Very high	97.5	Very high	34 Å²	34	19 Å²	19	21%	0.209	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-58.8	177.9	-63.8	0	0	0	0	113.3	C147 M151 T152 V153 P159 Y161	C147-T149 VanDerWaalsContact C-N 3.33Å; C147-T149 PolarHBondContact O-N 2.97Å; T149-M151 VanDerWaalsContact C-N 3.28Å; T149-M151 PolarHBondContact O-N 3.4Å; T149-T152 WeakPolarHBondContact O-CB 3.21Å; T149-T152 PolarHBondContact O-N 2.89Å; T149-V153 WeakPolarHBondContact O-CG2 3.3Å; T149-V153 PolarHBondContact O-N 3.15Å; T149-P159 HydrophobicContact CG2-CG 4.17Å; T149-Y161 WeakPolarHBondContact CG2-OH 3.18Å; T149-Y161 WeakPolarHBondContact OG1-CE1 3.36Å; T149-Y161 PolarHBondContact OG1-OH 2.9Å
150	P	96.4	Very high	97.5	Very high	41 Å²	41	20.8 Å²	20.8	27%	0.266	13%	0.128	S	C	.	.	H	α-helix	trans	-62.8	-33.8	-177.5	23.4	-33.9	0	0	0	112.8	Q11 D146 C147 V153 M154	Q11-P150 PolarHBondContact NE2-O 3.09Å; Q11-P150 VanDerWaalsContact NE2-O 3.07Å; D146-P150 WeakPolarHBondContact O-CD 2.83Å; D146-P150 WeakPolarHBondContact O-CG 3.41Å; C147-P150 VanDerWaalsContact O-CD 3.28Å; C147-P150 WeakPolarHBondContact O-CD 3.41Å; C147-P150 WeakPolarHBondContact O-CG 3.49Å; P150-V153 PolarHBondContact O-N 3.22Å; P150-M154 VanDerWaalsContact O-CB 3.24Å; P150-M154 WeakPolarHBondContact O-CB 3.42Å; P150-M154 PolarHBondContact O-N 3.24Å
151	M	97.7	Very high	97.5	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.044	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-46.4	173.9	-71.3	-179.2	178.9	0	0	111.9	Y121 L124 F125 I128 C147 T149 V153 M154 A155	Y121-M151 HydrophobicContact CD1-CE 3.27Å; Y121-M151 HydrophobicContact CD2-CE 4.47Å; Y121-M151 HydrophobicContact CE1-CE 3.1Å; Y121-M151 HydrophobicContact CE2-CE 4.34Å; Y121-M151 HydrophobicContact CG-CE 3.99Å; Y121-M151 WeakPolarHBondContact O-CE 3.17Å; L124-M151 HydrophobicContact CB-CE 4.26Å; L124-M151 HydrophobicContact CB-SD 3.79Å; F125-M151 HydrophobicContact CB-CE 3.82Å; F125-M151 HydrophobicContact CB-SD 4.04Å; F125-M151 HydrophobicContact CD2-CG 4.22Å; F125-M151 PolarHBondContact N-SD 2.9Å; I128-M151 HydrophobicContact CD1-CB 3.74Å; I128-M151 HydrophobicContact CD1-SD 4.09Å; I128-M151 HydrophobicContact CG2-CB 4.35Å; C147-M151 HydrophobicContact CB-CE 3.87Å; C147-M151 HydrophobicContact CB-SD 4.31Å; C147-M151 VanDerWaalsContact O-CB 3.28Å; C147-M151 WeakPolarHBondContact O-CB 3.2Å; C147-M151 WeakPolarHBondContact O-CG 3.31Å; C147-M151 PolarHBondContact O-N 2.68Å; T149-M151 VanDerWaalsContact C-N 3.28Å; T149-M151 PolarHBondContact O-N 3.4Å; M151-V153 PolarHBondContact O-N 2.97Å; M151-M154 PolarHBondContact O-N 2.84Å; M151-A155 PolarHBondContact O-N 3.24Å
152	T	98.1	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.9	-49.9	175.3	-63.3	0	0	0	0	111	V138 Y148 T149 M154 A155 G156 G157 P159	V138-T152 HydrophobicContact CB-CG2 3.73Å; V138-T152 HydrophobicContact CG2-CG2 3.57Å; Y148-T152 WeakPolarHBondContact O-CB 3.3Å; Y148-T152 PolarHBondContact O-N 2.96Å; Y148-T152 PolarHBondContact O-OG1 3.42Å; T149-T152 WeakPolarHBondContact O-CB 3.21Å; T149-T152 PolarHBondContact O-N 2.89Å; T152-M154 VanDerWaalsContact C-N 3.29Å; T152-M154 PolarHBondContact O-N 3.08Å; T152-A155 PolarHBondContact O-N 3.01Å; T152-G156 PolarHBondContact O-N 2.9Å; T152-G157 PolarHBondContact O-N 2.83Å; T152-P159 HydrophobicContact CG2-CB 4.46Å; T152-P159 HydrophobicContact CG2-CG 3.79Å
153	V	96.9	Very high	97.5	Very high	39 Å²	39	23 Å²	23	24%	0.236	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-36.9	178.6	173.8	0	0	0	0	111.6	K10 T149 P150 M151 A155 G156 P159	K10-V153 HydrophobicContact CB-CG1 4.04Å; K10-V153 HydrophobicContact CD-CG1 4.48Å; T149-V153 WeakPolarHBondContact O-CG2 3.3Å; T149-V153 PolarHBondContact O-N 3.15Å; P150-V153 PolarHBondContact O-N 3.22Å; M151-V153 PolarHBondContact O-N 2.97Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-G156 PolarHBondContact O-N 3.14Å; V153-P159 HydrophobicContact CG2-CG 3.74Å
154	M	96.8	Very high	97.5	Very high	50 Å²	50	23 Å²	23	25%	0.246	14%	0.136	C	C	.	.	H	α-helix	trans	-66.9	-34.8	178.9	-171.6	167.3	174.2	0	0	112.5	I8 F125 P150 M151 T152 G156	I8-M154 HydrophobicContact CD1-CE 4.16Å; F125-M154 HydrophobicContact CE2-CE 4.28Å; F125-M154 HydrophobicContact CE2-SD 3.94Å; F125-M154 HydrophobicContact CZ-CE 4.36Å; P150-M154 VanDerWaalsContact O-CB 3.24Å; P150-M154 WeakPolarHBondContact O-CB 3.42Å; P150-M154 PolarHBondContact O-N 3.24Å; M151-M154 PolarHBondContact O-N 2.84Å; T152-M154 VanDerWaalsContact C-N 3.29Å; T152-M154 PolarHBondContact O-N 3.08Å; M154-G156 PolarHBondContact O-N 3.36Å
155	A	97.4	Very high	97.4	Very high	20 Å²	20	27.2 Å²	27.2	17%	0.165	15%	0.151	C	C	.	.	H	α-helix	trans	-72.7	-9.8	172.1	0	0	0	0	0	113	I128 V132 M151 T152 V153 G157	I128-A155 HydrophobicContact CG2-CB 4.16Å; V132-A155 HydrophobicContact CB-CB 4.05Å; V132-A155 HydrophobicContact CG1-CB 4.09Å; M151-A155 PolarHBondContact O-N 3.24Å; T152-A155 PolarHBondContact O-N 3.01Å; V153-A155 VanDerWaalsContact C-N 3.34Å; A155-G157 VanDerWaalsContact C-N 3.35Å
156	G	97.1	Very high	97.1	Very high	31 Å²	31	27.5 Å²	27.5	32%	0.32	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	1.6	-176	0	0	0	0	0	113.9	P134 G135 T152 V153 M154	P134-G156 WeakPolarHBondContact CA-O 3.39Å; G135-G156 PolarHBondContact N-O 3.36Å; T152-G156 PolarHBondContact O-N 2.9Å; V153-G156 PolarHBondContact O-N 3.14Å; M154-G156 PolarHBondContact O-N 3.36Å
157	G	98.2	Very high	97	Very high	7 Å²	7	32.5 Å²	32.5	7%	0.072	18%	0.179	C	C	.	.			trans	-71.4	168	175	0	0	0	0	0	113.2	D136 T152 A155	D136-G157 CarbonylContact O-C 3.53Å; D136-G157 WeakPolarHBondContact O-CA 3.25Å; T152-G157 PolarHBondContact O-N 2.83Å; A155-G157 VanDerWaalsContact C-N 3.35Å
158	V	98.3	Very high	96.3	Very high	65 Å²	65	36.7 Å²	36.7	39%	0.394	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	110	179.7	-177	0	0	0	0	108.7	D136 E137 V138 I160	D136-V158 PolarHBondContact O-N 2.86Å; E137-V158 WeakPolarHBondContact CA-O 3.4Å; E137-V158 HydrophobicContact CG-CB 4.18Å; V138-V158 PolarHBondContact N-O 2.83Å; V158-I160 HydrophobicContact CG1-CD1 3.95Å; V158-I160 PolarHBondContact O-N 3.29Å
159	P	98.5	Very high	95.1	Very high	23 Å²	23	41.6 Å²	41.6	15%	0.149	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.7	173	-21.1	32.6	0	0	0	111.4	I140 T149 T152 V153 Y161	I140-P159 HydrophobicContact CD1-CB 3.99Å; T149-P159 HydrophobicContact CG2-CG 4.17Å; T152-P159 HydrophobicContact CG2-CB 4.46Å; T152-P159 HydrophobicContact CG2-CG 3.79Å; V153-P159 HydrophobicContact CG2-CG 3.74Å; P159-Y161 HydrophobicContact CB-CE1 3.94Å; P159-Y161 HydrophobicContact CB-CE2 3.98Å; P159-Y161 VanDerWaalsContact CB-CZ 3.49Å; P159-Y161 WeakPolarHBondContact CB-OH 3.5Å
160	I	98.8	Very high	93.9	Very high	36 Å²	36	48 Å²	48	19%	0.185	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.5	174.5	-55.5	-60.6	0	0	0	108.4	E137 V138 I139 I140 V158 K189	E137-I160 HydrophobicContact CB-CG1 3.77Å; E137-I160 HydrophobicContact CG-CD1 4.03Å; E137-I160 HydrophobicContact CG-CG1 3.76Å; V138-I160 PolarHBondContact O-N 3.08Å; I139-I160 CarbonylContact C-O 3.49Å; I139-I160 VanDerWaalsContact CA-O 3.32Å; I139-I160 WeakPolarHBondContact CA-O 3.43Å; I139-I160 HydrophobicContact CD1-CB 3.86Å; I139-I160 HydrophobicContact CD1-CG2 3.66Å; I140-I160 PolarHBondContact N-O 3.38Å; V158-I160 HydrophobicContact CG1-CD1 3.95Å; V158-I160 PolarHBondContact O-N 3.29Å; I160-K189 HydrophobicContact CG2-CB 3.74Å; I160-K189 HydrophobicContact CG2-CG 4.2Å
161	Y	98.7	Very high	92.7	Very high	55 Å²	55	50.2 Å²	50.2	22%	0.216	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.4	-169.8	-53.3	-76.4	0	0	0	112.7	I140 T149 P159 S405	I140-Y161 HydrophobicContact CB-CD1 3.97Å; I140-Y161 HydrophobicContact CB-CE1 4.22Å; I140-Y161 HydrophobicContact CD1-CE1 4.24Å; I140-Y161 HydrophobicContact CG2-CD1 4.17Å; I140-Y161 HydrophobicContact CG2-CE1 4.31Å; I140-Y161 WeakPolarHBondContact O-CA 3.39Å; T149-Y161 WeakPolarHBondContact CG2-OH 3.18Å; T149-Y161 WeakPolarHBondContact OG1-CE1 3.36Å; T149-Y161 PolarHBondContact OG1-OH 2.9Å; P159-Y161 HydrophobicContact CB-CE1 3.94Å; P159-Y161 HydrophobicContact CB-CE2 3.98Å; P159-Y161 VanDerWaalsContact CB-CZ 3.49Å; P159-Y161 WeakPolarHBondContact CB-OH 3.5Å; Y161-S405 VanDerWaalsContact CE2-CB 3.47Å; Y161-S405 VanDerWaalsContact CG-CB 3.4Å
162	V	98.6	Very high	91.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	108.5	172.4	-175.5	0	0	0	0	108.4	I139 I140 M141 D142 L181 E185 L186 K189	I139-V162 HydrophobicContact CD1-CG2 4.42Å; I139-V162 HydrophobicContact CG2-CG2 4.23Å; I140-V162 PolarHBondContact O-N 3.35Å; M141-V162 CarbonylContact C-O 3.51Å; M141-V162 WeakPolarHBondContact CA-O 3.38Å; D142-V162 PolarHBondContact N-O 2.92Å; V162-L181 HydrophobicContact CB-CD1 4.48Å; V162-L181 HydrophobicContact CG1-CD1 3.63Å; V162-E185 HydrophobicContact CG1-CG 4.31Å; V162-L186 HydrophobicContact CG1-CB 4.27Å; V162-L186 HydrophobicContact CG2-CD1 4.07Å; V162-K189 HydrophobicContact CG2-CB 4.14Å; V162-K189 HydrophobicContact CG2-CG 3.72Å
163	P	98.4	Very high	91	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.8	-174.9	31.8	-34.2	0	0	0	112.3	D142 R165 L411	D142-P163 HydrophobicContact CB-CB 3.96Å; D142-P163 CarbonylContact O-C 3.56Å; D142-P163 VanDerWaalsContact O-CA 3.3Å; D142-P163 WeakPolarHBondContact O-CA 3.29Å; P163-R165 VanDerWaalsContact CG-NH2 3.31Å; P163-L411 HydrophobicContact CB-CD1 3.65Å; P163-L411 HydrophobicContact CG-CD1 3.96Å
164	L	98.5	Very high	90.8	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	34%	0.342	C	S	.	.			trans	-68.2	135.8	155.8	-66.6	109.8	0	0	0	109.1	M141 D142 W179 K180 L181 L206 K208 F210	M141-L164 HydrophobicContact CB-CD1 3.82Å; D142-L164 PolarHBondContact O-N 2.92Å; L164-W179 HydrophobicContact CB-CB 4.19Å; L164-W179 HydrophobicContact CB-CG 4.48Å; L164-W179 HydrophobicContact CD2-CB 4.31Å; L164-K180 VanDerWaalsContact CA-O 3.31Å; L164-K180 WeakPolarHBondContact CA-O 3.4Å; L164-L181 HydrophobicContact CD2-CB 4.5Å; L164-L206 HydrophobicContact CB-CD1 4.49Å; L164-K208 HydrophobicContact CD2-CD 3.94Å; L164-F210 HydrophobicContact CD2-CE1 4.37Å; L164-F210 HydrophobicContact CD2-CZ 3.8Å
165	R	95.5	Very high	90.7	Very high	94 Å²	94	61.5 Å²	61.5	36%	0.355	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.8	177.7	-61.6	-173.4	-166	81.4	-4.8	110.8	P163 Q167 W179 K180 E185	P163-R165 VanDerWaalsContact CG-NH2 3.31Å; R165-Q167 PolarHBondContact O-N 2.96Å; R165-W179 WeakPolarHBondContact O-CA 3.24Å; R165-K180 PolarHBondContact N-O 2.89Å; R165-K180 PolarHBondContact O-N 2.92Å; R165-E185 IonicContact CZ-OE1 3.18Å; R165-E185 IonicContact CZ-OE2 2.82Å; R165-E185 VanDerWaalsContact CZ-OE2 3.25Å; R165-E185 IonicContact NH1-OE2 2.68Å; R165-E185 PolarHBondContact NH1-OE2 3.41Å; R165-E185 VanDerWaalsContact NH2-CD 3.33Å; R165-E185 IonicContact NH2-OE1 2.77Å; R165-E185 PolarHBondContact NH2-OE1 2.96Å; R165-E185 IonicContact NH2-OE2 2.92Å; R165-E185 PolarHBondContact NH2-OE2 3.08Å
166	P	92.1	Very high	90.7	Very high	43 Å²	43	60.6 Å²	60.6	28%	0.279	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.2	175.6	28.3	-31.9	0	0	0	110.2	L168 C178 W179	P166-L168 HydrophobicContact CB-CD2 4Å; P166-L168 HydrophobicContact CB-CG 4.32Å; P166-C178 CarbonylContact C-O 3.51Å; P166-C178 WeakPolarHBondContact CA-O 3.49Å; P166-W179 HydrophobicContact CB-CD2 4Å; P166-W179 HydrophobicContact CB-CE3 4.22Å; P166-W179 HydrophobicContact CB-CH2 4.03Å; P166-W179 HydrophobicContact CB-CZ2 3.87Å; P166-W179 HydrophobicContact CB-CZ3 4.21Å; P166-W179 HydrophobicContact CG-CZ2 4Å
167	Q	89.6	Confident	90.6	Very high	128 Å²	128	60.4 Å²	60.4	60%	0.598	33%	0.327	S	S	*	.			trans	-97.7	99.8	165.4	-67.3	-175.2	-5.5	0	0	107.6	R165 C178 K180	R165-Q167 PolarHBondContact O-N 2.96Å; Q167-C178 PolarHBondContact N-O 2.85Å; Q167-C178 WeakPolarHBondContact O-CB 3.41Å; Q167-K180 HydrophobicContact CB-CG 4.43Å; Q167-K180 HydrophobicContact CG-CB 4.26Å; Q167-K180 HydrophobicContact CG-CG 3.96Å
168	L	81.2	Confident	90.4	Very high	88 Å²	88	60.8 Å²	60.8	46%	0.461	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-87.9	124.1	-174.9	-57.1	175.6	0	0	0	109.5	P166 L174	P166-L168 HydrophobicContact CB-CD2 4Å; P166-L168 HydrophobicContact CB-CG 4.32Å; L168-L174 HydrophobicContact CD2-CD1 3.99Å; L168-L174 HydrophobicContact CD2-CD2 3.64Å; L168-L174 HydrophobicContact CD2-CG 4.49Å
169	N	72.8	Confident	90.3	Very high	109 Å²	109	57.9 Å²	57.9	58%	0.583	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-101.2	128.7	166	-66.5	-20.6	0	0	0	108.1
170	D	71.5	Confident	90.3	Very high	167 Å²	167	59.6 Å²	59.6	89%	0.893	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	137.9	178.8	-74.2	-29.1	0	0	0	111.1
171	G	71.7	Confident	90.3	Very high	89 Å²	89	59.1 Å²	59.1	92%	0.918	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-6.7	169.3	0	0	0	0	0	116.5
172	E	76.8	Confident	90.2	Very high	144 Å²	144	60.2 Å²	60.2	67%	0.673	32%	0.323	S	S	*	.	S	Bend	trans	-104.6	157.5	176.5	-65.5	-171.3	158.9	0	0	112.6	L174	E172-L174 PolarHBondContact O-N 2.99Å
173	E	84.5	Confident	90.2	Very high	101 Å²	101	62.2 Å²	62.2	47%	0.472	33%	0.333	S	S	.	.			trans	-59.8	122.3	170.3	-177.3	-172	-146.2	0	0	109.3	I175 R352	E173-I175 PolarHBondContact O-N 3.49Å; E173-R352 VanDerWaalsContact OE1-CD 3.3Å; E173-R352 WeakPolarHBondContact OE1-CD 3.48Å; E173-R352 IonicContact OE1-NE 3.05Å; E173-R352 PolarHBondContact OE1-NE 3.4Å; E173-R352 IonicContact OE2-CZ 3.55Å; E173-R352 VanDerWaalsContact OE2-CZ 3.25Å; E173-R352 IonicContact OE2-NE 3.62Å; E173-R352 PolarHBondContact OE2-NE 3.35Å; E173-R352 IonicContact OE2-NH2 2.76Å; E173-R352 PolarHBondContact OE2-NH2 3.41Å
174	L	92.5	Very high	90.2	Very high	36 Å²	36	70.1 Å²	70.1	19%	0.188	37%	0.367	C	S	.	.			trans	-70.5	115.5	175.3	-65.5	-179.6	0	0	0	109.9	L168 E172 I349 V351 R352	L168-L174 HydrophobicContact CD2-CD1 3.99Å; L168-L174 HydrophobicContact CD2-CD2 3.64Å; L168-L174 HydrophobicContact CD2-CG 4.49Å; E172-L174 PolarHBondContact O-N 2.99Å; L174-I349 HydrophobicContact CD1-CG2 3.67Å; L174-V351 HydrophobicContact CB-CG2 4.33Å; L174-V351 CarbonylContact O-C 3.39Å; L174-V351 WeakPolarHBondContact O-CA 3.28Å; L174-R352 PolarHBondContact O-N 2.89Å
175	I	95.2	Very high	90.2	Very high	54 Å²	54	71.9 Å²	71.9	28%	0.277	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-107.2	153.4	171.1	60.9	170.7	0	0	0	110.3	E173 D177 C178 R352	E173-I175 PolarHBondContact O-N 3.49Å; I175-D177 HydrophobicContact CD1-CB 3.91Å; I175-D177 HydrophobicContact CG1-CB 4.06Å; I175-D177 PolarHBondContact O-N 3.28Å; I175-C178 WeakPolarHBondContact O-CB 3.48Å; I175-C178 PolarHBondContact O-N 3.5Å; I175-C178 PolarHBondContact O-SG 3.47Å; I175-R352 CarbonylContact C-O 3.33Å; I175-R352 VanDerWaalsContact CA-O 3.27Å; I175-R352 WeakPolarHBondContact CA-O 3.37Å; I175-R352 HydrophobicContact CG2-CB 4.33Å
176	S	96.5	Very high	90.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-59.8	-16.9	-176.2	50.1	0	0	0	0	114.6	C178 W179 L206 G207 K208 R352 T354	S176-C178 PolarHBondContact O-N 2.73Å; S176-W179 PolarHBondContact O-N 2.81Å; S176-W179 VanDerWaalsContact O-N 3.15Å; S176-L206 WeakPolarHBondContact CB-O 3.49Å; S176-G207 PolarHBondContact OG-O 2.93Å; S176-G207 VanDerWaalsContact OG-O 3.05Å; S176-K208 WeakPolarHBondContact OG-CA 3.17Å; S176-R352 PolarHBondContact N-O 2.99Å; S176-T354 WeakPolarHBondContact OG-CG2 3.27Å; S176-T354 PolarHBondContact OG-N 3.37Å; S176-T354 PolarHBondContact OG-OG1 3.34Å
177	D	94.9	Very high	90.7	Very high	27 Å²	27	68.2 Å²	68.2	14%	0.144	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-63.6	-15.9	172.3	-92	26.8	0	0	0	114.3	I175 W179 K180 K208	I175-D177 HydrophobicContact CD1-CB 3.91Å; I175-D177 HydrophobicContact CG1-CB 4.06Å; I175-D177 PolarHBondContact O-N 3.28Å; D177-W179 PolarHBondContact O-N 3.22Å; D177-K180 WeakPolarHBondContact O-CD 3.44Å; D177-K180 WeakPolarHBondContact O-CE 3.47Å; D177-K180 PolarHBondContact O-NZ 2.56Å; D177-K208 IonicContact OD1-NZ 2.75Å
178	C	94.5	Very high	91.1	Very high	16 Å²	16	66.2 Å²	66.2	11%	0.108	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-67.3	-21.1	173.6	74.9	0	0	0	0	112.4	P166 Q167 I175 S176 K180	P166-C178 CarbonylContact C-O 3.51Å; P166-C178 WeakPolarHBondContact CA-O 3.49Å; Q167-C178 PolarHBondContact N-O 2.85Å; Q167-C178 WeakPolarHBondContact O-CB 3.41Å; I175-C178 WeakPolarHBondContact O-CB 3.48Å; I175-C178 PolarHBondContact O-N 3.5Å; I175-C178 PolarHBondContact O-SG 3.47Å; S176-C178 PolarHBondContact O-N 2.73Å; C178-K180 PolarHBondContact O-N 2.71Å
179	W	96.8	Very high	91.9	Very high	3 Å²	3	66.1 Å²	66.1	1%	0.011	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	110.3	169.3	-88.9	-100.4	0	0	0	110.1	L164 R165 P166 S176 D177 L206 K208 V351 Y415	L164-W179 HydrophobicContact CB-CB 4.19Å; L164-W179 HydrophobicContact CB-CG 4.48Å; L164-W179 HydrophobicContact CD2-CB 4.31Å; R165-W179 WeakPolarHBondContact O-CA 3.24Å; P166-W179 HydrophobicContact CB-CD2 4Å; P166-W179 HydrophobicContact CB-CE3 4.22Å; P166-W179 HydrophobicContact CB-CH2 4.03Å; P166-W179 HydrophobicContact CB-CZ2 3.87Å; P166-W179 HydrophobicContact CB-CZ3 4.21Å; P166-W179 HydrophobicContact CG-CZ2 4Å; S176-W179 PolarHBondContact O-N 2.81Å; S176-W179 VanDerWaalsContact O-N 3.15Å; D177-W179 PolarHBondContact O-N 3.22Å; W179-L206 HydrophobicContact CB-CD1 3.85Å; W179-L206 HydrophobicContact CD2-CD1 4.4Å; W179-L206 HydrophobicContact CD2-CD2 3.81Å; W179-L206 HydrophobicContact CE3-CD2 4.47Å; W179-L206 HydrophobicContact CG-CD1 3.69Å; W179-L206 HydrophobicContact CG-CD2 3.93Å; W179-L206 HydrophobicContact CG-CG 4.42Å; W179-L206 HydrophobicContact CZ2-CD2 4.28Å; W179-K208 HydrophobicContact CB-CD 4.36Å; W179-K208 VanDerWaalsContact O-CD 3.3Å; W179-K208 WeakPolarHBondContact O-CD 3.45Å; W179-K208 WeakPolarHBondContact O-CE 3.4Å; W179-K208 PolarHBondContact O-NZ 2.73Å; W179-V351 HydrophobicContact CE3-CG1 4.31Å; W179-V351 HydrophobicContact CH2-CG1 4.47Å; W179-V351 HydrophobicContact CH2-CG2 3.56Å; W179-V351 HydrophobicContact CZ3-CB 4.1Å; W179-V351 HydrophobicContact CZ3-CG1 3.61Å; W179-V351 HydrophobicContact CZ3-CG2 3.49Å; W179-V351 VanDerWaalsContact CZ3-CG2 3.49Å; W179-Y415 HydrophobicContact CH2-CE1 4.32Å; W179-Y415 HydrophobicContact CZ2-CE1 4.32Å
180	K	97.3	Very high	93.1	Very high	60 Å²	60	62.1 Å²	62.1	26%	0.261	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.3	-178.7	-63.1	-49.3	-166.3	-170.4	0	111.9	L164 R165 Q167 D177 C178 E214	L164-K180 VanDerWaalsContact CA-O 3.31Å; L164-K180 WeakPolarHBondContact CA-O 3.4Å; R165-K180 PolarHBondContact N-O 2.89Å; R165-K180 PolarHBondContact O-N 2.92Å; Q167-K180 HydrophobicContact CB-CG 4.43Å; Q167-K180 HydrophobicContact CG-CB 4.26Å; Q167-K180 HydrophobicContact CG-CG 3.96Å; D177-K180 WeakPolarHBondContact O-CD 3.44Å; D177-K180 WeakPolarHBondContact O-CE 3.47Å; D177-K180 PolarHBondContact O-NZ 2.56Å; C178-K180 PolarHBondContact O-N 2.71Å; K180-E214 IonicContact NZ-OE1 3.6Å; K180-E214 PolarHBondContact NZ-OE1 2.78Å
181	L	98.3	Very high	94.4	Very high	25 Å²	25	57.1 Å²	57.1	13%	0.131	31%	0.309	C	S	.	.			trans	-91.5	126.1	168.5	177.1	65	0	0	0	108.6	M141 V162 L164 I183 L186 I218	M141-L181 HydrophobicContact CE-CD2 4.42Å; M141-L181 HydrophobicContact SD-CD1 4.49Å; M141-L181 HydrophobicContact SD-CD2 4.03Å; V162-L181 HydrophobicContact CB-CD1 4.48Å; V162-L181 HydrophobicContact CG1-CD1 3.63Å; L164-L181 HydrophobicContact CD2-CB 4.5Å; L181-I183 HydrophobicContact CD2-CD1 3.94Å; L181-I183 HydrophobicContact CG-CD1 4.22Å; L181-I183 PolarHBondContact O-N 3.12Å; L181-L186 HydrophobicContact CD2-CD2 4.13Å; L181-I218 HydrophobicContact CD2-CD1 3.91Å; L181-I218 HydrophobicContact CD2-CG1 3.84Å
182	D	98.3	Very high	95.7	Very high	78 Å²	78	59 Å²	59	42%	0.417	31%	0.308	S	S	.	.			trans	-81.4	108.6	169.5	-175.1	-25.3	0	0	0	109	K184 E185 L186	D182-K184 VanDerWaalsContact C-N 3.28Å; D182-K184 PolarHBondContact O-N 2.9Å; D182-K184 WeakPolarHBondContact OD1-CA 3.41Å; D182-K184 WeakPolarHBondContact OD1-CB 3.08Å; D182-K184 PolarHBondContact OD1-N 3.44Å; D182-E185 HydrophobicContact CB-CB 3.82Å; D182-E185 PolarHBondContact O-N 2.85Å; D182-E185 PolarHBondContact OD1-N 3.21Å; D182-L186 PolarHBondContact O-N 3.22Å
183	I	98.4	Very high	96.7	Very high	43 Å²	43	57.9 Å²	57.9	22%	0.221	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-31.8	-178.9	-59.8	-63.2	0	0	0	111.8	L181 L186 E187 I218 V221	L181-I183 HydrophobicContact CD2-CD1 3.94Å; L181-I183 HydrophobicContact CG-CD1 4.22Å; L181-I183 PolarHBondContact O-N 3.12Å; I183-L186 PolarHBondContact O-N 3.37Å; I183-E187 PolarHBondContact O-N 2.92Å; I183-I218 HydrophobicContact CD1-CG1 4.42Å; I183-V221 HydrophobicContact CG2-CG2 3.95Å
184	K	98.3	Very high	97.4	Very high	166 Å²	166	53.7 Å²	53.7	72%	0.722	28%	0.282	S	S	*	.	H	α-helix	trans	-71.3	-39.7	176.1	-63.7	-179.2	179.8	177.1	0	110.7	D182 E187 S188	D182-K184 VanDerWaalsContact C-N 3.28Å; D182-K184 PolarHBondContact O-N 2.9Å; D182-K184 WeakPolarHBondContact OD1-CA 3.41Å; D182-K184 WeakPolarHBondContact OD1-CB 3.08Å; D182-K184 PolarHBondContact OD1-N 3.44Å; K184-E187 PolarHBondContact O-N 3.42Å; K184-S188 WeakPolarHBondContact O-CB 3.3Å; K184-S188 PolarHBondContact O-N 3.19Å
185	E	98.4	Very high	97.7	Very high	39 Å²	39	55.1 Å²	55.1	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-46	172.6	-172.7	177.4	-171.3	0	0	110.5	V162 R165 D182 E187 S188 K189	V162-E185 HydrophobicContact CG1-CG 4.31Å; R165-E185 IonicContact CZ-OE1 3.18Å; R165-E185 IonicContact CZ-OE2 2.82Å; R165-E185 VanDerWaalsContact CZ-OE2 3.25Å; R165-E185 IonicContact NH1-OE2 2.68Å; R165-E185 PolarHBondContact NH1-OE2 3.41Å; R165-E185 VanDerWaalsContact NH2-CD 3.33Å; R165-E185 IonicContact NH2-OE1 2.77Å; R165-E185 PolarHBondContact NH2-OE1 2.96Å; R165-E185 IonicContact NH2-OE2 2.92Å; R165-E185 PolarHBondContact NH2-OE2 3.08Å; D182-E185 HydrophobicContact CB-CB 3.82Å; D182-E185 PolarHBondContact O-N 2.85Å; D182-E185 PolarHBondContact OD1-N 3.21Å; E185-E187 PolarHBondContact O-N 3.29Å; E185-S188 PolarHBondContact O-N 3.07Å; E185-S188 PolarHBondContact O-OG 3.15Å; E185-K189 WeakPolarHBondContact O-CG 3.22Å; E185-K189 PolarHBondContact O-N 3.05Å
186	L	98.6	Very high	97.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-53.8	-54.1	174.8	171.1	60.6	0	0	0	111.6	I139 V162 L181 D182 I183 S188 K189 L197 V221	I139-L186 HydrophobicContact CD1-CD1 4.38Å; I139-L186 HydrophobicContact CG1-CD1 4.46Å; I139-L186 HydrophobicContact CG2-CD1 3.63Å; V162-L186 HydrophobicContact CG1-CB 4.27Å; V162-L186 HydrophobicContact CG2-CD1 4.07Å; L181-L186 HydrophobicContact CD2-CD2 4.13Å; D182-L186 PolarHBondContact O-N 3.22Å; I183-L186 PolarHBondContact O-N 3.37Å; L186-S188 VanDerWaalsContact C-N 3.28Å; L186-S188 PolarHBondContact O-N 3.43Å; L186-K189 WeakPolarHBondContact O-CB 3.45Å; L186-K189 PolarHBondContact O-N 3.2Å; L186-K189 VanDerWaalsContact O-N 3.09Å; L186-L197 HydrophobicContact CD1-CD1 4.05Å; L186-L197 HydrophobicContact CD2-CD1 4.05Å; L186-V221 HydrophobicContact CD2-CB 4.39Å; L186-V221 HydrophobicContact CD2-CG1 4.08Å; L186-V221 HydrophobicContact CD2-CG2 4.31Å; L186-V221 HydrophobicContact CG-CG1 4.25Å
187	E	97.8	Very high	98	Very high	60 Å²	60	52.5 Å²	52.5	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-59	-39.1	178.3	-80.5	-177.9	-176.8	0	0	112.4	I183 K184 E185 K189 I190 V221 R224	I183-E187 PolarHBondContact O-N 2.92Å; K184-E187 PolarHBondContact O-N 3.42Å; E185-E187 PolarHBondContact O-N 3.29Å; E187-K189 PolarHBondContact O-N 2.99Å; E187-K189 VanDerWaalsContact O-N 3.15Å; E187-I190 WeakPolarHBondContact O-CB 3.43Å; E187-I190 PolarHBondContact O-N 3.03Å; E187-V221 HydrophobicContact CG-CG1 4.43Å; E187-V221 HydrophobicContact CG-CG2 3.83Å; E187-R224 IonicContact OE1-CZ 2.95Å; E187-R224 IonicContact OE1-NH1 3.92Å; E187-R224 PolarHBondContact OE1-NH1 3.05Å; E187-R224 IonicContact OE1-NH2 2.65Å; E187-R224 PolarHBondContact OE1-NH2 3.44Å
188	S	98.4	Very high	98.2	Very high	86 Å²	86	51.4 Å²	51.4	60%	0.601	27%	0.268	S	S	*	.	H	α-helix	trans	-64	-19.5	178.9	80.1	0	0	0	0	113.9	K184 E185 L186	K184-S188 WeakPolarHBondContact O-CB 3.3Å; K184-S188 PolarHBondContact O-N 3.19Å; E185-S188 PolarHBondContact O-N 3.07Å; E185-S188 PolarHBondContact O-OG 3.15Å; L186-S188 VanDerWaalsContact C-N 3.28Å; L186-S188 PolarHBondContact O-N 3.43Å
189	K	98.4	Very high	98.4	Very high	86 Å²	86	50.6 Å²	50.6	37%	0.374	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.3	176.7	-64.5	-46.5	-177.8	-178.2	0	113.4	I139 I160 V162 E185 L186 E187	I139-K189 HydrophobicContact CD1-CB 3.95Å; I160-K189 HydrophobicContact CG2-CB 3.74Å; I160-K189 HydrophobicContact CG2-CG 4.2Å; V162-K189 HydrophobicContact CG2-CB 4.14Å; V162-K189 HydrophobicContact CG2-CG 3.72Å; E185-K189 WeakPolarHBondContact O-CG 3.22Å; E185-K189 PolarHBondContact O-N 3.05Å; L186-K189 WeakPolarHBondContact O-CB 3.45Å; L186-K189 PolarHBondContact O-N 3.2Å; L186-K189 VanDerWaalsContact O-N 3.09Å; E187-K189 PolarHBondContact O-N 2.99Å; E187-K189 VanDerWaalsContact O-N 3.15Å
190	I	98.7	Very high	98.5	Very high	24 Å²	24	50.8 Å²	50.8	12%	0.123	26%	0.264	C	S	.	.			trans	-78.3	132.3	-178.8	-64.9	173	0	0	0	109.9	E187 T194 V221 H225 L227	E187-I190 WeakPolarHBondContact O-CB 3.43Å; E187-I190 PolarHBondContact O-N 3.03Å; I190-T194 HydrophobicContact CG1-CG2 4.45Å; I190-V221 HydrophobicContact CD1-CG1 3.23Å; I190-H225 HydrophobicContact CD1-CB 4.25Å; I190-H225 HydrophobicContact CG2-CB 3.92Å; I190-L227 HydrophobicContact CD1-CD1 3.95Å; I190-L227 HydrophobicContact CG1-CD1 4.44Å
191	T	98.6	Very high	98.6	Very high	62 Å²	62	48 Å²	48	38%	0.38	25%	0.251	S	S	.	.			trans	-125.6	178.2	173.4	85	0	0	0	0	110.1	E137 K193 T194	E137-T191 VanDerWaalsContact CD-OG1 3.24Å; E137-T191 PolarHBondContact OE1-OG1 3.03Å; E137-T191 WeakPolarHBondContact OE2-CB 3.37Å; E137-T191 WeakPolarHBondContact OE2-CG2 3.38Å; E137-T191 PolarHBondContact OE2-OG1 2.83Å; T191-K193 PolarHBondContact O-N 2.97Å; T191-K193 VanDerWaalsContact O-N 3.1Å; T191-K193 PolarHBondContact OG1-N 3.1Å; T191-T194 PolarHBondContact N-OG1 2.87Å; T191-T194 PolarHBondContact O-N 3.34Å; T191-T194 VanDerWaalsContact O-N 3.14Å; T191-T194 PolarHBondContact O-OG1 2.87Å
192	S	98.1	Very high	98.6	Very high	129 Å²	129	46.8 Å²	46.8	90%	0.902	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-9.1	172.2	64.4	0	0	0	0	114.1
193	K	98.7	Very high	98.6	Very high	121 Å²	121	43.3 Å²	43.3	53%	0.526	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-11.5	176.5	-60.4	179.7	-178.8	178.8	0	112.8	E137 T191 K195	E137-K193 HydrophobicContact CB-CB 4.38Å; E137-K193 HydrophobicContact CG-CB 3.94Å; E137-K193 PolarHBondContact N-O 3.31Å; T191-K193 PolarHBondContact O-N 2.97Å; T191-K193 VanDerWaalsContact O-N 3.1Å; T191-K193 PolarHBondContact OG1-N 3.1Å; K193-K195 PolarHBondContact O-N 3.31Å
194	T	98.9	Very high	98.6	Very high	13 Å²	13	41.6 Å²	41.6	8%	0.08	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	124.1	-179.2	-46.3	0	0	0	0	110	E137 I139 I190 T191 L227	E137-T194 PolarHBondContact OE2-OG1 3.49Å; I139-T194 HydrophobicContact CD1-CG2 4.31Å; I139-T194 HydrophobicContact CG1-CG2 3.63Å; I190-T194 HydrophobicContact CG1-CG2 4.45Å; T191-T194 PolarHBondContact N-OG1 2.87Å; T191-T194 PolarHBondContact O-N 3.34Å; T191-T194 VanDerWaalsContact O-N 3.14Å; T191-T194 PolarHBondContact O-OG1 2.87Å; T194-L227 HydrophobicContact CG2-CD1 4.18Å; T194-L227 HydrophobicContact CG2-CD2 3.81Å; T194-L227 WeakPolarHBondContact O-CD2 3.5Å
195	K	98.6	Very high	98.5	Very high	65 Å²	65	33.7 Å²	33.7	28%	0.283	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-38.8	-173.6	-170.1	173.2	-168.7	-178.2	0	112.8	L131 D133 D136 E137 K193 V228	L131-K195 WeakPolarHBondContact O-CD 3.34Å; L131-K195 WeakPolarHBondContact O-CE 3.34Å; L131-K195 PolarHBondContact O-NZ 3.45Å; D133-K195 IonicContact OD2-NZ 2.9Å; D133-K195 PolarHBondContact OD2-NZ 3.03Å; D136-K195 HydrophobicContact CB-CB 4.34Å; D136-K195 HydrophobicContact CB-CD 4.2Å; D136-K195 WeakPolarHBondContact OD2-CD 3.15Å; D136-K195 WeakPolarHBondContact OD2-CE 3.32Å; D136-K195 IonicContact OD2-NZ 3.78Å; D136-K195 PolarHBondContact OD2-NZ 3.5Å; E137-K195 PolarHBondContact O-N 3.34Å; K193-K195 PolarHBondContact O-N 3.31Å; K195-V228 PolarHBondContact O-N 2.97Å
196	V	98.9	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.4	-173.6	176.5	0	0	0	0	110.3	L131 V132 V138 I139 L198 V228 I230	L131-V196 HydrophobicContact CB-CG2 4.29Å; V132-V196 HydrophobicContact CG2-CG2 4.03Å; V138-V196 CarbonylContact C-O 3.54Å; V138-V196 WeakPolarHBondContact CA-O 3.3Å; V138-V196 HydrophobicContact CG1-CB 4.08Å; V138-V196 HydrophobicContact CG1-CG1 4.03Å; V138-V196 HydrophobicContact CG2-CB 4.22Å; I139-V196 PolarHBondContact N-O 2.84Å; V196-L198 HydrophobicContact CG1-CG 4.44Å; V196-V228 CarbonylContact C-O 3.53Å; V196-V228 VanDerWaalsContact CA-O 3.3Å; V196-V228 WeakPolarHBondContact CA-O 3.28Å; V196-V228 HydrophobicContact CG2-CB 4.49Å; V196-I230 HydrophobicContact CG1-CB 4.45Å; V196-I230 HydrophobicContact CG1-CD1 3.61Å; V196-I230 HydrophobicContact CG1-CG1 3.85Å
197	L	98.9	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.5	164.2	176.6	151.8	0	0	0	108.8	I139 M141 L186 L199 I218 L227 V228 C229 I230	I139-L197 HydrophobicContact CB-CB 4.27Å; I139-L197 HydrophobicContact CB-CG 4.31Å; I139-L197 HydrophobicContact CG2-CD1 4.2Å; I139-L197 HydrophobicContact CG2-CG 4.21Å; M141-L197 HydrophobicContact CE-CD1 4.12Å; M141-L197 HydrophobicContact CE-CD2 3.52Å; M141-L197 HydrophobicContact CE-CG 3.95Å; L186-L197 HydrophobicContact CD1-CD1 4.05Å; L186-L197 HydrophobicContact CD2-CD1 4.05Å; L197-L199 HydrophobicContact CD2-CB 4.16Å; L197-I218 HydrophobicContact CD1-CG2 4.23Å; L197-I218 HydrophobicContact CD2-CG2 3.92Å; L197-L227 HydrophobicContact CB-CD1 4.46Å; L197-V228 PolarHBondContact N-O 2.89Å; L197-C229 WeakPolarHBondContact O-CA 3.45Å; L197-I230 PolarHBondContact O-N 2.97Å
198	L	98.9	Very high	98.5	Very high	3 Å²	3	29 Å²	29	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.8	175.5	-77.4	161.7	0	0	0	109.9	L124 I128 V138 I139 I140 Y148 V196 I230	L124-L198 HydrophobicContact CD2-CD2 4.34Å; I128-L198 HydrophobicContact CD1-CD1 4.26Å; I128-L198 HydrophobicContact CD1-CD2 4.5Å; V138-L198 HydrophobicContact CG1-CD1 3.69Å; V138-L198 HydrophobicContact CG1-CG 4.16Å; I139-L198 PolarHBondContact O-N 2.82Å; I140-L198 HydrophobicContact CD1-CD1 4.43Å; I140-L198 HydrophobicContact CG1-CD1 3.98Å; Y148-L198 HydrophobicContact CD1-CD1 4.46Å; Y148-L198 HydrophobicContact CD2-CB 4.36Å; Y148-L198 HydrophobicContact CD2-CD1 4.28Å; Y148-L198 HydrophobicContact CG-CD1 3.93Å; V196-L198 HydrophobicContact CG1-CG 4.44Å; L198-I230 HydrophobicContact CD2-CB 3.64Å; L198-I230 HydrophobicContact CD2-CD1 4.29Å; L198-I230 HydrophobicContact CD2-CG2 3.68Å
199	L	98.9	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.4	175.1	173.8	63.8	0	0	0	108.8	M141 L197 T201 F210 L215 I218 I230 S231 D232 I248	M141-L199 HydrophobicContact CE-CD1 4.2Å; L197-L199 HydrophobicContact CD2-CB 4.16Å; L199-T201 HydrophobicContact CD1-CG2 4.47Å; L199-T201 HydrophobicContact CD2-CG2 4.19Å; L199-T201 HydrophobicContact CG-CG2 4.16Å; L199-F210 HydrophobicContact CD1-CD1 4.33Å; L199-F210 HydrophobicContact CD1-CD2 4.25Å; L199-F210 HydrophobicContact CD1-CE1 4.3Å; L199-F210 HydrophobicContact CD1-CE2 4.2Å; L199-F210 HydrophobicContact CD1-CG 4.29Å; L199-F210 HydrophobicContact CD1-CZ 4.21Å; L199-L215 HydrophobicContact CD1-CD2 4.5Å; L199-L215 HydrophobicContact CD2-CD2 3.69Å; L199-I218 HydrophobicContact CD1-CD1 4.13Å; L199-I230 PolarHBondContact N-O 3.41Å; L199-S231 CarbonylContact O-C 3.58Å; L199-S231 WeakPolarHBondContact O-CA 3.49Å; L199-D232 PolarHBondContact O-N 2.94Å; L199-I248 HydrophobicContact CD2-CB 4.02Å; L199-I248 HydrophobicContact CD2-CD1 3.88Å; L199-I248 HydrophobicContact CD2-CG2 3.95Å
200	N	98.9	Very high	98.5	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.037	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	113.1	172.1	178.4	-136.8	0	0	0	110.7	Y148 H203 N204 D232	Y148-N200 HydrophobicContact CE2-CB 4.32Å; Y148-N200 WeakPolarHBondContact OH-CB 3.29Å; N200-H203 WeakPolarHBondContact O-CB 3.37Å; N200-H203 PolarHBondContact O-CD2 3.32Å; N200-H203 WeakPolarHBondContact OD1-CA 3.29Å; N200-N204 PolarHBondContact OD1-N 3.32Å; N200-D232 WeakPolarHBondContact CA-O 3.38Å; N200-D232 HydrophobicContact CB-CB 4.28Å; N200-D232 PolarHBondContact ND2-O 3.03Å
201	T	98.8	Very high	98.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-149.9	128	-179.4	-175.6	0	0	0	0	110.6	L199 F210 D232 E233 H245	L199-T201 HydrophobicContact CD1-CG2 4.47Å; L199-T201 HydrophobicContact CD2-CG2 4.19Å; L199-T201 HydrophobicContact CG-CG2 4.16Å; T201-F210 PolarHBondContact OG1-N 2.82Å; T201-F210 VanDerWaalsContact OG1-N 3.07Å; T201-D232 PolarHBondContact N-O 3.16Å; T201-D232 VanDerWaalsContact N-O 3.14Å; T201-E233 WeakPolarHBondContact O-CA 3.31Å; T201-H245 PolarHBondContact O-CE1 3.31Å
202	P	98.5	Very high	98.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	S	Bend	cis	-59.6	141.4	-10.3	-23.7	35.5	0	0	0	112.9	K208 V209 Y235 V239	P202-K208 CarbonylContact C-O 3.57Å; P202-K208 WeakPolarHBondContact CA-O 3.28Å; P202-V209 HydrophobicContact CB-CG2 3.97Å; P202-V209 HydrophobicContact CG-CG2 4Å; P202-Y235 VanDerWaalsContact CD-C 3.47Å; P202-Y235 WeakPolarHBondContact CG-O 3.3Å; P202-Y235 WeakPolarHBondContact O-CD2 3.3Å; P202-V239 HydrophobicContact CG-CG2 3.58Å
203	H	98.7	Very high	98.4	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.028	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-83.7	129.9	-161.5	-169.4	-66.6	0	0	0	112.4	P143 N200 L206 G207 K208	P143-H203 PolarHBondContact O-CE1 2.6Å; P143-H203 PolarHBondContact O-NE2 3.08Å; N200-H203 WeakPolarHBondContact O-CB 3.37Å; N200-H203 PolarHBondContact O-CD2 3.32Å; N200-H203 WeakPolarHBondContact OD1-CA 3.29Å; H203-L206 HydrophobicContact CB-CB 4.37Å; H203-L206 PolarHBondContact O-N 2.76Å; H203-G207 WeakPolarHBondContact O-CA 3.32Å; H203-G207 PolarHBondContact O-N 2.81Å; H203-K208 HydrophobicContact CB-CB 4Å; H203-K208 WeakPolarHBondContact CB-O 3.42Å; H203-K208 PolarHBondContact N-O 2.98Å
204	N	97.9	Very high	98.4	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.032	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	119.9	163.5	168	27.3	0	0	0	108.6	F145 N200 Y235 F358 R417	F145-N204 WeakPolarHBondContact CD2-ND2 3.48Å; N200-N204 PolarHBondContact OD1-N 3.32Å; N204-Y235 HydrophobicContact CB-CE2 3.82Å; N204-F358 HydrophobicContact CB-CD2 3.93Å; N204-F358 HydrophobicContact CB-CE2 3.84Å; N204-F358 WeakPolarHBondContact OD1-CD2 3.46Å; N204-F358 VanDerWaalsContact OD1-CE2 3.24Å; N204-F358 WeakPolarHBondContact OD1-CE2 3.3Å; N204-R417 PolarHBondContact OD1-NH1 3.17Å
205	P	97.2	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	cis	-100.9	-6.4	19.6	37.9	-41	0	0	0	117.2	P143 G207 F358 V360 M400 F403 R417	P143-P205 HydrophobicContact CB-CG 3.93Å; P143-P205 HydrophobicContact CG-CG 4Å; P205-G207 PolarHBondContact O-N 2.97Å; P205-F358 WeakPolarHBondContact O-CB 3.31Å; P205-V360 WeakPolarHBondContact O-CG2 3.24Å; P205-M400 HydrophobicContact CB-CE 4.29Å; P205-M400 HydrophobicContact CB-SD 3.57Å; P205-M400 VanDerWaalsContact CB-SD 3.57Å; P205-M400 HydrophobicContact CG-CE 3.42Å; P205-M400 VanDerWaalsContact CG-CE 3.42Å; P205-M400 HydrophobicContact CG-SD 3.29Å; P205-M400 WeakPolarHBondContact CG-SD 3.31Å; P205-F403 HydrophobicContact CB-CD2 3.97Å; P205-F403 HydrophobicContact CB-CE2 3.99Å; P205-F403 HydrophobicContact CB-CG 4.48Å; P205-F403 HydrophobicContact CG-CB 4.21Å; P205-F403 HydrophobicContact CG-CD2 3.68Å; P205-F403 HydrophobicContact CG-CE2 4.23Å; P205-F403 HydrophobicContact CG-CG 3.94Å; P205-R417 HydrophobicContact CB-CB 4.2Å; P205-R417 HydrophobicContact CB-CG 3.72Å
206	L	97.9	Very high	98.4	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-26.1	-167.1	-63.4	175	0	0	0	115.9	P143 L164 S176 W179 H203 K208 V360 M400	P143-L206 HydrophobicContact CG-CD1 3.86Å; P143-L206 HydrophobicContact CG-CD2 3.84Å; P143-L206 HydrophobicContact CG-CG 3.69Å; L164-L206 HydrophobicContact CB-CD1 4.49Å; S176-L206 WeakPolarHBondContact CB-O 3.49Å; W179-L206 HydrophobicContact CB-CD1 3.85Å; W179-L206 HydrophobicContact CD2-CD1 4.4Å; W179-L206 HydrophobicContact CD2-CD2 3.81Å; W179-L206 HydrophobicContact CE3-CD2 4.47Å; W179-L206 HydrophobicContact CG-CD1 3.69Å; W179-L206 HydrophobicContact CG-CD2 3.93Å; W179-L206 HydrophobicContact CG-CG 4.42Å; W179-L206 HydrophobicContact CZ2-CD2 4.28Å; H203-L206 HydrophobicContact CB-CB 4.37Å; H203-L206 PolarHBondContact O-N 2.76Å; L206-K208 HydrophobicContact CB-CB 4.16Å; L206-K208 PolarHBondContact O-N 2.9Å; L206-V360 HydrophobicContact CD2-CG2 4.33Å; L206-M400 HydrophobicContact CD2-CE 4.01Å
207	G	97.9	Very high	98.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.			trans	70.7	12.2	-167.2	0	0	0	0	0	114	S176 H203 P205 T354 G355	S176-G207 PolarHBondContact OG-O 2.93Å; S176-G207 VanDerWaalsContact OG-O 3.05Å; H203-G207 WeakPolarHBondContact O-CA 3.32Å; H203-G207 PolarHBondContact O-N 2.81Å; P205-G207 PolarHBondContact O-N 2.97Å; G207-T354 CarbonylContact O-C 3.38Å; G207-T354 PolarHBondContact O-N 3.37Å; G207-T354 PolarHBondContact O-OG1 2.93Å; G207-G355 WeakPolarHBondContact CA-O 3.45Å; G207-G355 PolarHBondContact O-N 2.82Å
208	K	98.3	Very high	98.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.			trans	-69.1	134.5	176.8	177.7	174.8	173.3	62.2	0	111	L164 S176 D177 W179 P202 H203 L206 F210 E214 T354	L164-K208 HydrophobicContact CD2-CD 3.94Å; S176-K208 WeakPolarHBondContact OG-CA 3.17Å; D177-K208 IonicContact OD1-NZ 2.75Å; W179-K208 HydrophobicContact CB-CD 4.36Å; W179-K208 VanDerWaalsContact O-CD 3.3Å; W179-K208 WeakPolarHBondContact O-CD 3.45Å; W179-K208 WeakPolarHBondContact O-CE 3.4Å; W179-K208 PolarHBondContact O-NZ 2.73Å; P202-K208 CarbonylContact C-O 3.57Å; P202-K208 WeakPolarHBondContact CA-O 3.28Å; H203-K208 HydrophobicContact CB-CB 4Å; H203-K208 WeakPolarHBondContact CB-O 3.42Å; H203-K208 PolarHBondContact N-O 2.98Å; L206-K208 HydrophobicContact CB-CB 4.16Å; L206-K208 PolarHBondContact O-N 2.9Å; K208-F210 HydrophobicContact CD-CD2 4.36Å; K208-F210 HydrophobicContact CD-CE2 4.12Å; K208-F210 HydrophobicContact CD-CZ 4.38Å; K208-F210 HydrophobicContact CG-CD2 4.32Å; K208-F210 HydrophobicContact CG-CE2 4.42Å; K208-E214 VanDerWaalsContact CE-OE2 3.32Å; K208-E214 WeakPolarHBondContact CE-OE2 3.29Å; K208-E214 IonicContact NZ-OE1 3.39Å; K208-E214 PolarHBondContact NZ-OE1 3.4Å; K208-E214 IonicContact NZ-OE2 3.9Å; K208-E214 PolarHBondContact NZ-OE2 3.05Å; K208-T354 WeakPolarHBondContact CA-OG1 3.33Å
209	V	98.6	Very high	98.4	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	10%	0.104	C	C	.	.			trans	-106.4	117.6	167.5	-177.3	0	0	0	0	106.5	P202 N211 V239 Q244 T354	P202-V209 HydrophobicContact CB-CG2 3.97Å; P202-V209 HydrophobicContact CG-CG2 4Å; V209-N211 PolarHBondContact O-N 3.19Å; V209-V239 HydrophobicContact CG1-CG1 4.26Å; V209-V239 HydrophobicContact CG1-CG2 4.32Å; V209-V239 HydrophobicContact CG2-CG1 4.15Å; V209-V239 HydrophobicContact CG2-CG2 4.03Å; V209-Q244 WeakPolarHBondContact CG1-O 3.27Å; V209-T354 WeakPolarHBondContact CG2-O 3.46Å; V209-T354 PolarHBondContact N-OG1 2.89Å
210	F	98.7	Very high	98.4	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.127	C	C	.	.			trans	-67.8	125.8	177.8	-78.4	-108.7	0	0	0	109.3	M141 L164 L199 T201 K208 E214 L215 I218	M141-F210 HydrophobicContact SD-CZ 4.22Å; L164-F210 HydrophobicContact CD2-CE1 4.37Å; L164-F210 HydrophobicContact CD2-CZ 3.8Å; L199-F210 HydrophobicContact CD1-CD1 4.33Å; L199-F210 HydrophobicContact CD1-CD2 4.25Å; L199-F210 HydrophobicContact CD1-CE1 4.3Å; L199-F210 HydrophobicContact CD1-CE2 4.2Å; L199-F210 HydrophobicContact CD1-CG 4.29Å; L199-F210 HydrophobicContact CD1-CZ 4.21Å; T201-F210 PolarHBondContact OG1-N 2.82Å; T201-F210 VanDerWaalsContact OG1-N 3.07Å; K208-F210 HydrophobicContact CD-CD2 4.36Å; K208-F210 HydrophobicContact CD-CE2 4.12Å; K208-F210 HydrophobicContact CD-CZ 4.38Å; K208-F210 HydrophobicContact CG-CD2 4.32Å; K208-F210 HydrophobicContact CG-CE2 4.42Å; F210-E214 WeakPolarHBondContact CA-OE2 3.43Å; F210-E214 HydrophobicContact CD1-CB 3.99Å; F210-L215 HydrophobicContact CB-CD2 3.66Å; F210-L215 HydrophobicContact CB-CG 3.87Å; F210-L215 HydrophobicContact CG-CD2 4.4Å; F210-I218 HydrophobicContact CD1-CD1 3.86Å; F210-I218 HydrophobicContact CE1-CD1 3.82Å
211	N	97.9	Very high	98.4	Very high	49 Å²	49	25.7 Å²	25.7	26%	0.262	13%	0.125	S	C	.	.			trans	-81.2	174.8	179.8	72	38.1	0	0	0	111.1	V209 E213 E214 L215	V209-N211 PolarHBondContact O-N 3.19Å; N211-E213 PolarHBondContact O-N 2.76Å; N211-E213 PolarHBondContact OD1-N 2.94Å; N211-E213 VanDerWaalsContact OD1-N 3.07Å; N211-E214 PolarHBondContact N-OE2 2.88Å; N211-E214 PolarHBondContact O-N 3.14Å; N211-E214 WeakPolarHBondContact OD1-CG 3.2Å; N211-E214 PolarHBondContact OD1-N 2.84Å; N211-L215 VanDerWaalsContact O-CG 3.28Å; N211-L215 WeakPolarHBondContact O-CG 3.4Å; N211-L215 PolarHBondContact O-N 2.82Å
212	R	97.7	Very high	98.4	Very high	103 Å²	103	25.7 Å²	25.7	39%	0.389	13%	0.125	S	C	.	.	H	α-helix	trans	-55.1	-48.9	-178.3	178.5	171.3	-66.2	-76.8	-2.4	113.1	E214 L215 E216 I246	R212-E214 PolarHBondContact O-N 2.82Å; R212-L215 PolarHBondContact O-N 2.98Å; R212-E216 WeakPolarHBondContact CD-OE1 3.48Å; R212-E216 VanDerWaalsContact CG-CD 3.48Å; R212-E216 HydrophobicContact CG-CG 4.21Å; R212-E216 WeakPolarHBondContact CG-OE1 3.43Å; R212-E216 IonicContact NH1-OE1 3.11Å; R212-E216 WeakPolarHBondContact O-CB 3.44Å; R212-E216 VanDerWaalsContact O-CG 3.32Å; R212-E216 WeakPolarHBondContact O-CG 3.36Å; R212-E216 PolarHBondContact O-N 3.41Å; R212-I246 HydrophobicContact CB-CD1 3.7Å
213	E	98.1	Very high	98.4	Very high	143 Å²	143	27.5 Å²	27.5	67%	0.668	14%	0.135	S	C	*	.	H	α-helix	trans	-63.5	-42.1	-176.7	-177.7	-175.5	176.4	0	0	111.6	N211 E216 S217	N211-E213 PolarHBondContact O-N 2.76Å; N211-E213 PolarHBondContact OD1-N 2.94Å; N211-E213 VanDerWaalsContact OD1-N 3.07Å; E213-E216 PolarHBondContact O-N 2.77Å; E213-S217 WeakPolarHBondContact O-CB 3.44Å; E213-S217 PolarHBondContact O-N 2.77Å; E213-S217 PolarHBondContact O-OG 3.47Å
214	E	98.5	Very high	98.3	Very high	26 Å²	26	34 Å²	34	12%	0.121	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-41.9	176.2	-67.3	171.8	154.3	0	0	111.1	K180 K208 F210 N211 R212 S217 I218	K180-E214 IonicContact NZ-OE1 3.6Å; K180-E214 PolarHBondContact NZ-OE1 2.78Å; K208-E214 VanDerWaalsContact CE-OE2 3.32Å; K208-E214 WeakPolarHBondContact CE-OE2 3.29Å; K208-E214 IonicContact NZ-OE1 3.39Å; K208-E214 PolarHBondContact NZ-OE1 3.4Å; K208-E214 IonicContact NZ-OE2 3.9Å; K208-E214 PolarHBondContact NZ-OE2 3.05Å; F210-E214 WeakPolarHBondContact CA-OE2 3.43Å; F210-E214 HydrophobicContact CD1-CB 3.99Å; N211-E214 PolarHBondContact N-OE2 2.88Å; N211-E214 PolarHBondContact O-N 3.14Å; N211-E214 WeakPolarHBondContact OD1-CG 3.2Å; N211-E214 PolarHBondContact OD1-N 2.84Å; R212-E214 PolarHBondContact O-N 2.82Å; E214-S217 PolarHBondContact O-N 2.95Å; E214-I218 VanDerWaalsContact O-CG1 3.31Å; E214-I218 WeakPolarHBondContact O-CG1 3.2Å; E214-I218 PolarHBondContact O-N 3.36Å; E214-I218 VanDerWaalsContact O-N 3.08Å
215	L	98.8	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.2	-38.6	177.4	-67.7	175.1	0	0	0	112.9	L199 F210 N211 R212 S217 I218 A219 I246 I248 L251	L199-L215 HydrophobicContact CD1-CD2 4.5Å; L199-L215 HydrophobicContact CD2-CD2 3.69Å; F210-L215 HydrophobicContact CB-CD2 3.66Å; F210-L215 HydrophobicContact CB-CG 3.87Å; F210-L215 HydrophobicContact CG-CD2 4.4Å; N211-L215 VanDerWaalsContact O-CG 3.28Å; N211-L215 WeakPolarHBondContact O-CG 3.4Å; N211-L215 PolarHBondContact O-N 2.82Å; R212-L215 PolarHBondContact O-N 2.98Å; L215-S217 VanDerWaalsContact C-N 3.34Å; L215-I218 PolarHBondContact O-N 3.12Å; L215-A219 VanDerWaalsContact O-CB 3.3Å; L215-A219 WeakPolarHBondContact O-CB 3.37Å; L215-A219 PolarHBondContact O-N 3.39Å; L215-I246 HydrophobicContact CD1-CB 3.57Å; L215-I246 HydrophobicContact CD1-CG2 3.68Å; L215-I246 VanDerWaalsContact CD1-O 3.29Å; L215-I246 WeakPolarHBondContact CD1-O 3.47Å; L215-I248 HydrophobicContact CB-CG1 4.5Å; L215-I248 HydrophobicContact CD2-CB 4.29Å; L215-I248 HydrophobicContact CD2-CD1 4.32Å; L215-I248 HydrophobicContact CD2-CG1 4.42Å; L215-L251 HydrophobicContact CB-CD1 3.88Å
216	E	98.5	Very high	98.4	Very high	68 Å²	68	42.9 Å²	42.9	32%	0.318	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-42.8	174	-76.6	168.4	178.2	0	0	110.5	R212 E213 I218 A219 D220 L251	R212-E216 WeakPolarHBondContact CD-OE1 3.48Å; R212-E216 VanDerWaalsContact CG-CD 3.48Å; R212-E216 HydrophobicContact CG-CG 4.21Å; R212-E216 WeakPolarHBondContact CG-OE1 3.43Å; R212-E216 IonicContact NH1-OE1 3.11Å; R212-E216 WeakPolarHBondContact O-CB 3.44Å; R212-E216 VanDerWaalsContact O-CG 3.32Å; R212-E216 WeakPolarHBondContact O-CG 3.36Å; R212-E216 PolarHBondContact O-N 3.41Å; E213-E216 PolarHBondContact O-N 2.77Å; E216-I218 VanDerWaalsContact C-N 3.35Å; E216-I218 PolarHBondContact O-N 2.84Å; E216-A219 WeakPolarHBondContact O-CB 3.33Å; E216-A219 PolarHBondContact O-N 2.9Å; E216-D220 PolarHBondContact O-N 3.42Å; E216-L251 HydrophobicContact CG-CD1 3.92Å; E216-L251 HydrophobicContact CG-CD2 4.33Å
217	S	98.6	Very high	98.4	Very high	37 Å²	37	42.8 Å²	42.8	26%	0.259	20%	0.203	S	C	.	.	H	α-helix	trans	-61.8	-40.7	175.2	-58.8	0	0	0	0	112.6	E213 E214 L215 V221	E213-S217 WeakPolarHBondContact O-CB 3.44Å; E213-S217 PolarHBondContact O-N 2.77Å; E213-S217 PolarHBondContact O-OG 3.47Å; E214-S217 PolarHBondContact O-N 2.95Å; L215-S217 VanDerWaalsContact C-N 3.34Å; S217-V221 WeakPolarHBondContact O-CG2 3.3Å; S217-V221 PolarHBondContact O-N 2.83Å
218	I	98.8	Very high	98.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-68.9	-39.6	175.4	-67.4	164.4	0	0	0	111	M141 L181 I183 L197 L199 F210 E214 L215 E216 V221 C222 I248	M141-I218 HydrophobicContact CE-CD1 4.23Å; L181-I218 HydrophobicContact CD2-CD1 3.91Å; L181-I218 HydrophobicContact CD2-CG1 3.84Å; I183-I218 HydrophobicContact CD1-CG1 4.42Å; L197-I218 HydrophobicContact CD1-CG2 4.23Å; L197-I218 HydrophobicContact CD2-CG2 3.92Å; L199-I218 HydrophobicContact CD1-CD1 4.13Å; F210-I218 HydrophobicContact CD1-CD1 3.86Å; F210-I218 HydrophobicContact CE1-CD1 3.82Å; E214-I218 VanDerWaalsContact O-CG1 3.31Å; E214-I218 WeakPolarHBondContact O-CG1 3.2Å; E214-I218 PolarHBondContact O-N 3.36Å; E214-I218 VanDerWaalsContact O-N 3.08Å; L215-I218 PolarHBondContact O-N 3.12Å; E216-I218 VanDerWaalsContact C-N 3.35Å; E216-I218 PolarHBondContact O-N 2.84Å; I218-V221 PolarHBondContact O-N 3.48Å; I218-C222 PolarHBondContact O-N 3.49Å; I218-C222 PolarHBondContact O-SG 2.94Å; I218-I248 HydrophobicContact CB-CD1 4.14Å; I218-I248 HydrophobicContact CG2-CD1 3.73Å
219	A	98.8	Very high	98.5	Very high	4 Å²	4	44 Å²	44	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-45.6	177	0	0	0	0	0	111.2	L215 E216 V221 C222 I223 I248 L251 M254	L215-A219 VanDerWaalsContact O-CB 3.3Å; L215-A219 WeakPolarHBondContact O-CB 3.37Å; L215-A219 PolarHBondContact O-N 3.39Å; E216-A219 WeakPolarHBondContact O-CB 3.33Å; E216-A219 PolarHBondContact O-N 2.9Å; A219-V221 VanDerWaalsContact C-N 3.27Å; A219-V221 PolarHBondContact O-N 2.81Å; A219-C222 PolarHBondContact O-N 2.81Å; A219-C222 VanDerWaalsContact O-N 3.1Å; A219-I223 WeakPolarHBondContact O-CB 3.21Å; A219-I223 VanDerWaalsContact O-CG1 3.29Å; A219-I223 WeakPolarHBondContact O-CG1 3.44Å; A219-I223 PolarHBondContact O-N 3.32Å; A219-I248 HydrophobicContact CB-CD1 4.45Å; A219-I248 HydrophobicContact CB-CG1 4.45Å; A219-L251 HydrophobicContact CB-CD1 4.02Å; A219-M254 HydrophobicContact CB-CE 4.36Å; A219-M254 HydrophobicContact CB-CG 3.55Å; A219-M254 HydrophobicContact CB-SD 3.6Å
220	D	98.5	Very high	98.5	Very high	89 Å²	89	43.8 Å²	43.8	48%	0.476	21%	0.209	S	C	.	.	H	α-helix	trans	-58.9	-39.1	177.5	-77.6	-14.6	0	0	0	112.3	E216 R224	E216-D220 PolarHBondContact O-N 3.42Å; D220-R224 VanDerWaalsContact O-CB 3.3Å; D220-R224 WeakPolarHBondContact O-CB 3.08Å; D220-R224 VanDerWaalsContact O-CG 3.31Å; D220-R224 WeakPolarHBondContact O-CG 3.24Å; D220-R224 PolarHBondContact O-N 2.94Å; D220-R224 PolarHBondContact O-NE 3.43Å
221	V	98.8	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-48.3	174.2	173.3	0	0	0	0	110.6	I183 L186 E187 I190 S217 I218 A219 I223 R224 H225	I183-V221 HydrophobicContact CG2-CG2 3.95Å; L186-V221 HydrophobicContact CD2-CB 4.39Å; L186-V221 HydrophobicContact CD2-CG1 4.08Å; L186-V221 HydrophobicContact CD2-CG2 4.31Å; L186-V221 HydrophobicContact CG-CG1 4.25Å; E187-V221 HydrophobicContact CG-CG1 4.43Å; E187-V221 HydrophobicContact CG-CG2 3.83Å; I190-V221 HydrophobicContact CD1-CG1 3.23Å; S217-V221 WeakPolarHBondContact O-CG2 3.3Å; S217-V221 PolarHBondContact O-N 2.83Å; I218-V221 PolarHBondContact O-N 3.48Å; A219-V221 VanDerWaalsContact C-N 3.27Å; A219-V221 PolarHBondContact O-N 2.81Å; V221-I223 VanDerWaalsContact C-N 3.31Å; V221-I223 PolarHBondContact O-N 3.3Å; V221-R224 PolarHBondContact O-N 2.63Å; V221-H225 WeakPolarHBondContact O-CB 3.32Å; V221-H225 PolarHBondContact O-CD2 3.44Å; V221-H225 PolarHBondContact O-N 3.23Å
222	C	98.8	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-41.8	178.3	-69.9	0	0	0	0	112.3	I218 A219 N226 L227 M254	I218-C222 PolarHBondContact O-N 3.49Å; I218-C222 PolarHBondContact O-SG 2.94Å; A219-C222 PolarHBondContact O-N 2.81Å; A219-C222 VanDerWaalsContact O-N 3.1Å; C222-N226 CarbonylContact O-C 3.57Å; C222-N226 VanDerWaalsContact O-CA 3.3Å; C222-N226 WeakPolarHBondContact O-CA 3.27Å; C222-N226 PolarHBondContact O-N 3.47Å; C222-L227 HydrophobicContact CB-CB 4.33Å; C222-L227 PolarHBondContact O-N 2.83Å; C222-M254 HydrophobicContact CB-CE 3.91Å; C222-M254 HydrophobicContact CB-SD 4.07Å
223	I	98.6	Very high	98.6	Very high	39 Å²	39	36.8 Å²	36.8	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-68.5	-52.4	-179.9	-68.5	163.7	0	0	0	110.3	L97 A219 V221 H225 N226 M254	L97-I223 HydrophobicContact CD1-CD1 4.25Å; L97-I223 HydrophobicContact CD2-CD1 4.37Å; L97-I223 HydrophobicContact CD2-CG2 3.95Å; A219-I223 WeakPolarHBondContact O-CB 3.21Å; A219-I223 VanDerWaalsContact O-CG1 3.29Å; A219-I223 WeakPolarHBondContact O-CG1 3.44Å; A219-I223 PolarHBondContact O-N 3.32Å; V221-I223 VanDerWaalsContact C-N 3.31Å; V221-I223 PolarHBondContact O-N 3.3Å; I223-H225 VanDerWaalsContact C-N 3.27Å; I223-H225 PolarHBondContact O-N 3Å; I223-N226 PolarHBondContact O-N 2.95Å; I223-M254 HydrophobicContact CD1-SD 4.15Å; I223-M254 HydrophobicContact CG1-SD 3.97Å
224	R	97.7	Very high	98.7	Very high	141 Å²	141	30.5 Å²	30.5	53%	0.532	15%	0.151	S	C	.	.	H	α-helix	trans	-60	-36.5	-177.7	-79.3	-178.6	-70.6	157.3	-1	113.2	E187 D220 V221	E187-R224 IonicContact OE1-CZ 2.95Å; E187-R224 IonicContact OE1-NH1 3.92Å; E187-R224 PolarHBondContact OE1-NH1 3.05Å; E187-R224 IonicContact OE1-NH2 2.65Å; E187-R224 PolarHBondContact OE1-NH2 3.44Å; D220-R224 VanDerWaalsContact O-CB 3.3Å; D220-R224 WeakPolarHBondContact O-CB 3.08Å; D220-R224 VanDerWaalsContact O-CG 3.31Å; D220-R224 WeakPolarHBondContact O-CG 3.24Å; D220-R224 PolarHBondContact O-N 2.94Å; D220-R224 PolarHBondContact O-NE 3.43Å; V221-R224 PolarHBondContact O-N 2.63Å
225	H	98.3	Very high	98.6	Very high	79 Å²	79	29.5 Å²	29.5	37%	0.366	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	6.8	-178	-64.2	-79.3	0	0	0	113.8	I190 V221 I223 L227	I190-H225 HydrophobicContact CD1-CB 4.25Å; I190-H225 HydrophobicContact CG2-CB 3.92Å; V221-H225 WeakPolarHBondContact O-CB 3.32Å; V221-H225 PolarHBondContact O-CD2 3.44Å; V221-H225 PolarHBondContact O-N 3.23Å; I223-H225 VanDerWaalsContact C-N 3.27Å; I223-H225 PolarHBondContact O-N 3Å; H225-L227 VanDerWaalsContact C-N 3.33Å; H225-L227 HydrophobicContact CB-CD1 4.4Å; H225-L227 HydrophobicContact CB-CD2 4.13Å; H225-L227 HydrophobicContact CB-CG 3.96Å; H225-L227 PolarHBondContact O-N 3.27Å
226	N	98.3	Very high	98.6	Very high	115 Å²	115	30 Å²	30	62%	0.615	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	44.8	-178.8	-168.5	38.2	0	0	0	114.3	C222 I223 R257	C222-N226 CarbonylContact O-C 3.57Å; C222-N226 VanDerWaalsContact O-CA 3.3Å; C222-N226 WeakPolarHBondContact O-CA 3.27Å; C222-N226 PolarHBondContact O-N 3.47Å; I223-N226 PolarHBondContact O-N 2.95Å; N226-R257 VanDerWaalsContact C-NH1 3.32Å; N226-R257 PolarHBondContact OD1-NH1 3.43Å; N226-R257 PolarHBondContact OD1-NH2 3.29Å
227	L	98.8	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-86.4	151.1	177.8	-49.5	-176.7	0	0	0	111.2	I190 T194 L197 C222 H225 R257	I190-L227 HydrophobicContact CD1-CD1 3.95Å; I190-L227 HydrophobicContact CG1-CD1 4.44Å; T194-L227 HydrophobicContact CG2-CD1 4.18Å; T194-L227 HydrophobicContact CG2-CD2 3.81Å; T194-L227 WeakPolarHBondContact O-CD2 3.5Å; L197-L227 HydrophobicContact CB-CD1 4.46Å; C222-L227 HydrophobicContact CB-CB 4.33Å; C222-L227 PolarHBondContact O-N 2.83Å; H225-L227 VanDerWaalsContact C-N 3.33Å; H225-L227 HydrophobicContact CB-CD1 4.4Å; H225-L227 HydrophobicContact CB-CD2 4.13Å; H225-L227 HydrophobicContact CB-CG 3.96Å; H225-L227 PolarHBondContact O-N 3.27Å; L227-R257 PolarHBondContact O-NH1 3.07Å
228	V	98.9	Very high	98.3	Very high	24 Å²	24	26.7 Å²	26.7	15%	0.145	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.8	163.5	177.8	0	0	0	0	108.9	L131 K195 V196 L197 R257 L284	L131-V228 HydrophobicContact CD1-CG1 3.83Å; K195-V228 PolarHBondContact O-N 2.97Å; V196-V228 CarbonylContact C-O 3.53Å; V196-V228 VanDerWaalsContact CA-O 3.3Å; V196-V228 WeakPolarHBondContact CA-O 3.28Å; V196-V228 HydrophobicContact CG2-CB 4.49Å; L197-V228 PolarHBondContact N-O 2.89Å; V228-R257 CarbonylContact C-O 3.47Å; V228-R257 WeakPolarHBondContact CA-O 3.31Å; V228-L284 HydrophobicContact CG1-CD1 3.97Å; V228-L284 HydrophobicContact CG2-CD1 4.47Å
229	C	99	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.7	171.5	-174.5	0	0	0	0	109.8	L197 M254 R257 T258 L259	L197-C229 WeakPolarHBondContact O-CA 3.45Å; C229-M254 HydrophobicContact CB-CE 3.88Å; C229-R257 PolarHBondContact N-O 3.26Å; C229-T258 HydrophobicContact CB-CG2 4.34Å; C229-T258 CarbonylContact O-C 3.44Å; C229-T258 VanDerWaalsContact O-CA 3.28Å; C229-T258 WeakPolarHBondContact O-CA 3.31Å; C229-L259 PolarHBondContact O-N 3.2Å
230	I	99	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	107	166.1	-61.7	175.8	0	0	0	106.7	L124 A127 I128 L131 V196 L197 L198 L199 L259 I261	L124-I230 HydrophobicContact CD2-CG2 4.25Å; A127-I230 HydrophobicContact CB-CD1 3.86Å; A127-I230 HydrophobicContact CB-CG1 4.48Å; I128-I230 HydrophobicContact CG1-CD1 4.03Å; L131-I230 HydrophobicContact CD1-CD1 4.2Å; L131-I230 HydrophobicContact CD1-CG1 4.41Å; V196-I230 HydrophobicContact CG1-CB 4.45Å; V196-I230 HydrophobicContact CG1-CD1 3.61Å; V196-I230 HydrophobicContact CG1-CG1 3.85Å; L197-I230 PolarHBondContact O-N 2.97Å; L198-I230 HydrophobicContact CD2-CB 3.64Å; L198-I230 HydrophobicContact CD2-CD1 4.29Å; L198-I230 HydrophobicContact CD2-CG2 3.68Å; L199-I230 PolarHBondContact N-O 3.41Å; I230-L259 HydrophobicContact CG1-CD1 4.45Å; I230-I261 HydrophobicContact CG2-CD1 3.64Å
231	S	99	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	102.1	-177.1	-165.4	0	0	0	0	110.1	L199 E233 L259 I261	L199-S231 CarbonylContact O-C 3.58Å; L199-S231 WeakPolarHBondContact O-CA 3.49Å; S231-E233 WeakPolarHBondContact CB-OE1 3.41Å; S231-E233 PolarHBondContact O-N 3.19Å; S231-E233 VanDerWaalsContact OG-CG 3.26Å; S231-E233 WeakPolarHBondContact OG-CG 3.2Å; S231-E233 PolarHBondContact OG-OE1 2.87Å; S231-L259 PolarHBondContact N-O 3.42Å; S231-I261 PolarHBondContact O-N 2.76Å
232	D	98.9	Very high	97.6	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	101.4	171.7	-172.5	-13.4	0	0	0	109.9	L124 Y148 L199 N200 T201 V234	L124-D232 HydrophobicContact CD2-CB 4.36Å; Y148-D232 VanDerWaalsContact OH-CB 3.31Å; Y148-D232 WeakPolarHBondContact OH-CB 3.23Å; Y148-D232 VanDerWaalsContact OH-CG 3.3Å; Y148-D232 PolarHBondContact OH-OD2 3.31Å; L199-D232 PolarHBondContact O-N 2.94Å; N200-D232 WeakPolarHBondContact CA-O 3.38Å; N200-D232 HydrophobicContact CB-CB 4.28Å; N200-D232 PolarHBondContact ND2-O 3.03Å; T201-D232 PolarHBondContact N-O 3.16Å; T201-D232 VanDerWaalsContact N-O 3.14Å; D232-V234 VanDerWaalsContact OD1-CG1 3.27Å; D232-V234 WeakPolarHBondContact OD1-CG1 3.34Å; D232-V234 WeakPolarHBondContact OD1-CG2 3.06Å; D232-V234 PolarHBondContact OD1-N 3.1Å
233	E	98.9	Very high	97.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.			trans	-116	28	-172.4	-60.5	-178.3	-159.6	0	0	112.4	T201 S231 Y235 E236 H245 K247 T260 I261	T201-E233 WeakPolarHBondContact O-CA 3.31Å; S231-E233 WeakPolarHBondContact CB-OE1 3.41Å; S231-E233 PolarHBondContact O-N 3.19Å; S231-E233 VanDerWaalsContact OG-CG 3.26Å; S231-E233 WeakPolarHBondContact OG-CG 3.2Å; S231-E233 PolarHBondContact OG-OE1 2.87Å; E233-Y235 PolarHBondContact O-N 3.1Å; E233-E236 VanDerWaalsContact O-CB 3.28Å; E233-E236 WeakPolarHBondContact O-CB 3.34Å; E233-E236 WeakPolarHBondContact O-CG 3.4Å; E233-E236 PolarHBondContact O-N 3.43Å; E233-H245 IonicContact OE2-CD2 3.95Å; E233-H245 IonicContact OE2-CE1 3.03Å; E233-H245 IonicContact OE2-NE2 2.76Å; E233-H245 PolarHBondContact OE2-NE2 3.3Å; E233-K247 VanDerWaalsContact OE2-CG 3.3Å; E233-K247 WeakPolarHBondContact OE2-CG 3.28Å; E233-K247 IonicContact OE2-NZ 2.76Å; E233-K247 PolarHBondContact OE2-NZ 3.1Å; E233-T260 HydrophobicContact CB-CG2 4.46Å; E233-T260 HydrophobicContact CG-CG2 4.28Å; E233-T260 WeakPolarHBondContact OE2-CG2 3.26Å; E233-I261 CarbonylContact C-O 3.57Å; E233-I261 WeakPolarHBondContact CA-O 3.11Å; E233-I261 PolarHBondContact N-O 3.44Å
234	V	98.6	Very high	97.3	Very high	11 Å²	11	40.3 Å²	40.3	7%	0.067	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.6	-174.8	-63.7	0	0	0	0	114.8	A120 D232 I261 K266	A120-V234 HydrophobicContact CB-CG1 3.25Å; D232-V234 VanDerWaalsContact OD1-CG1 3.27Å; D232-V234 WeakPolarHBondContact OD1-CG1 3.34Å; D232-V234 WeakPolarHBondContact OD1-CG2 3.06Å; D232-V234 PolarHBondContact OD1-N 3.1Å; V234-I261 HydrophobicContact CG1-CG2 4.47Å; V234-K266 HydrophobicContact CB-CB 4.17Å; V234-K266 HydrophobicContact CB-CG 3.9Å; V234-K266 HydrophobicContact CG2-CG 4.11Å; V234-K266 WeakPolarHBondContact O-CB 3.34Å
235	Y	98	Very high	97.3	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.02	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	10.8	178.5	-67.6	-64.2	0	0	0	113.6	P202 N204 E233 W237 L238 K266 Y357 F358	P202-Y235 VanDerWaalsContact CD-C 3.47Å; P202-Y235 WeakPolarHBondContact CG-O 3.3Å; P202-Y235 WeakPolarHBondContact O-CD2 3.3Å; N204-Y235 HydrophobicContact CB-CE2 3.82Å; E233-Y235 PolarHBondContact O-N 3.1Å; Y235-W237 PolarHBondContact O-N 2.81Å; Y235-L238 HydrophobicContact CD1-CD1 4.09Å; Y235-L238 WeakPolarHBondContact O-CA 3.15Å; Y235-L238 PolarHBondContact O-N 2.89Å; Y235-K266 HydrophobicContact CE1-CD 3.98Å; Y235-K266 PolarHBondContact OH-NZ 3.48Å; Y235-Y357 AromaticContact CE1-CD1 3.95Å; Y235-Y357 HydrophobicContact CE1-CD1 3.95Å; Y235-Y357 HydrophobicContact CE1-CD2 4.38Å; Y235-Y357 AromaticContact CE1-CE1 3.43Å; Y235-Y357 HydrophobicContact CE1-CE1 3.43Å; Y235-Y357 VanDerWaalsContact CE1-CE1 3.43Å; Y235-Y357 AromaticContact CE1-CE2 3.98Å; Y235-Y357 HydrophobicContact CE1-CE2 3.98Å; Y235-Y357 HydrophobicContact CE1-CG 4.41Å; Y235-Y357 AromaticContact CE1-CZ 3.47Å; Y235-Y357 VanDerWaalsContact CE1-CZ 3.47Å; Y235-Y357 AromaticContact CZ-CE1 3.65Å; Y235-Y357 AromaticContact CZ-CZ 3.94Å; Y235-Y357 WeakPolarHBondContact OH-CE1 3.03Å; Y235-Y357 PolarHBondContact OH-OH 3.18Å; Y235-Y357 VanDerWaalsContact OH-OH 3.14Å; Y235-F358 HydrophobicContact CE2-CE2 4.27Å; Y235-F358 AromaticContact CZ-CE2 3.8Å; Y235-F358 WeakPolarHBondContact OH-CE2 3.48Å
236	E	97.7	Very high	97.3	Very high	11 Å²	11	32.7 Å²	32.7	5%	0.051	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-31.1	-173.7	62.4	-174.7	126.2	0	0	115.7	Y80 E233 L238 H245 K247	Y80-E236 VanDerWaalsContact CE1-OE2 3.25Å; Y80-E236 WeakPolarHBondContact CE1-OE2 3.11Å; Y80-E236 PolarHBondContact OH-OE1 3.43Å; E233-E236 VanDerWaalsContact O-CB 3.28Å; E233-E236 WeakPolarHBondContact O-CB 3.34Å; E233-E236 WeakPolarHBondContact O-CG 3.4Å; E233-E236 PolarHBondContact O-N 3.43Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-H245 VanDerWaalsContact CB-CD2 3.41Å; E236-H245 WeakPolarHBondContact CB-CD2 3.35Å; E236-K247 WeakPolarHBondContact OE2-CE 3.36Å; E236-K247 IonicContact OE2-NZ 2.81Å; E236-K247 PolarHBondContact OE2-NZ 3.09Å
237	W	95.7	Very high	97.4	Very high	31 Å²	31	27.4 Å²	27.4	12%	0.117	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	2.7	-180	-52.4	108.6	0	0	0	113.7	L79 F83 Y235 F325 M328 C329	L79-W237 HydrophobicContact CD1-CH2 4.05Å; L79-W237 HydrophobicContact CD1-CZ2 4.2Å; L79-W237 HydrophobicContact CD2-CZ2 4.24Å; F83-W237 HydrophobicContact CD2-CH2 4.46Å; F83-W237 AromaticContact CE2-CH2 3.7Å; F83-W237 HydrophobicContact CE2-CH2 3.7Å; F83-W237 HydrophobicContact CE2-CZ3 4.38Å; F83-W237 AromaticContact CZ-CH2 3.72Å; F83-W237 HydrophobicContact CZ-CH2 3.72Å; F83-W237 AromaticContact CZ-CZ3 3.92Å; F83-W237 HydrophobicContact CZ-CZ3 3.92Å; Y235-W237 PolarHBondContact O-N 2.81Å; W237-F325 HydrophobicContact CB-CB 4.29Å; W237-F325 HydrophobicContact CB-CD1 4.43Å; W237-F325 HydrophobicContact CB-CG 4.47Å; W237-F325 HydrophobicContact CD2-CB 4.06Å; W237-F325 HydrophobicContact CD2-CD1 4.1Å; W237-F325 AromaticContact CD2-CD2 3.81Å; W237-F325 HydrophobicContact CD2-CD2 3.81Å; W237-F325 HydrophobicContact CD2-CE2 4.27Å; W237-F325 AromaticContact CD2-CG 3.72Å; W237-F325 HydrophobicContact CD2-CG 3.72Å; W237-F325 HydrophobicContact CE3-CB 3.72Å; W237-F325 AromaticContact CE3-CD2 3.63Å; W237-F325 HydrophobicContact CE3-CD2 3.63Å; W237-F325 HydrophobicContact CE3-CE2 4.39Å; W237-F325 AromaticContact CE3-CG 3.71Å; W237-F325 HydrophobicContact CE3-CG 3.71Å; W237-F325 HydrophobicContact CG-CB 4.33Å; W237-F325 HydrophobicContact CG-CD1 4.03Å; W237-F325 HydrophobicContact CG-CG 4.06Å; W237-F325 AromaticContact CH2-CD2 3.95Å; W237-F325 HydrophobicContact CH2-CD2 3.95Å; W237-F325 HydrophobicContact CH2-CE2 4.07Å; W237-F325 HydrophobicContact CZ2-CD2 4.13Å; W237-F325 AromaticContact CZ2-CE2 3.95Å; W237-F325 HydrophobicContact CZ2-CE2 3.95Å; W237-F325 HydrophobicContact CZ2-CZ 4.5Å; W237-F325 HydrophobicContact CZ3-CB 4.42Å; W237-F325 AromaticContact CZ3-CD2 3.69Å; W237-F325 HydrophobicContact CZ3-CD2 3.69Å; W237-F325 HydrophobicContact CZ3-CE2 4.29Å; W237-F325 HydrophobicContact CZ3-CG 4.26Å; W237-M328 HydrophobicContact CB-CE 4Å; W237-C329 PolarHBondContact O-SG 3.14Å
238	L	96.2	Very high	97.4	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	15%	0.15	C	C	.	.			trans	-115.8	71.2	177.8	-69.7	178.5	0	0	0	108.9	Y235 E236 M328 I332 G355 G356 Y357	Y235-L238 HydrophobicContact CD1-CD1 4.09Å; Y235-L238 WeakPolarHBondContact O-CA 3.15Å; Y235-L238 PolarHBondContact O-N 2.89Å; E236-L238 VanDerWaalsContact C-N 3.33Å; L238-M328 HydrophobicContact CD1-CE 4.38Å; L238-M328 HydrophobicContact CD1-SD 4.45Å; L238-M328 HydrophobicContact CD2-CB 4.49Å; L238-M328 HydrophobicContact CD2-CE 3.46Å; L238-M328 VanDerWaalsContact CD2-CE 3.46Å; L238-M328 HydrophobicContact CD2-CG 3.66Å; L238-M328 HydrophobicContact CD2-SD 3.74Å; L238-M328 HydrophobicContact CG-CE 3.69Å; L238-M328 HydrophobicContact CG-SD 4.26Å; L238-I332 HydrophobicContact CD1-CD1 4.5Å; L238-I332 HydrophobicContact CD2-CD1 3.66Å; L238-G355 CarbonylContact O-C 3.59Å; L238-G355 WeakPolarHBondContact O-CA 3.48Å; L238-G356 PolarHBondContact O-N 2.76Å; L238-Y357 HydrophobicContact CD1-CD2 3.91Å; L238-Y357 HydrophobicContact CD1-CG 4.38Å
239	V	96.9	Very high	97.4	Very high	19 Å²	19	26.2 Å²	26.2	12%	0.115	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-123.4	126.3	176	175.6	0	0	0	0	109.4	P202 V209 N243 H245 C329	P202-V239 HydrophobicContact CG-CG2 3.58Å; V209-V239 HydrophobicContact CG1-CG1 4.26Å; V209-V239 HydrophobicContact CG1-CG2 4.32Å; V209-V239 HydrophobicContact CG2-CG1 4.15Å; V209-V239 HydrophobicContact CG2-CG2 4.03Å; V239-N243 VanDerWaalsContact CG1-C 3.48Å; V239-N243 HydrophobicContact CG1-CB 3.68Å; V239-N243 WeakPolarHBondContact CG1-O 3.34Å; V239-H245 HydrophobicContact CG2-CB 3.82Å; V239-C329 PolarHBondContact N-SG 2.86Å; V239-C329 VanDerWaalsContact N-SG 3.43Å; V239-C329 PolarHBondContact O-SG 3.06Å
240	F	95.6	Very high	97.3	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.018	15%	0.149	C	C	.	.			trans	-93.7	131.7	-172.9	-55.7	-39.6	0	0	0	110.9	N243 I332 E333 P353 T354 G356 F420	F240-N243 VanDerWaalsContact O-CB 3.32Å; F240-N243 WeakPolarHBondContact O-CB 3.14Å; F240-N243 PolarHBondContact O-N 2.91Å; F240-N243 PolarHBondContact O-ND2 3.08Å; F240-I332 HydrophobicContact CE1-CG2 4.25Å; F240-I332 HydrophobicContact CZ-CG2 3.93Å; F240-E333 HydrophobicContact CB-CG 3.66Å; F240-E333 HydrophobicContact CD1-CB 3.46Å; F240-E333 VanDerWaalsContact CD1-CB 3.46Å; F240-E333 HydrophobicContact CD1-CG 3.49Å; F240-E333 VanDerWaalsContact CD1-CG 3.49Å; F240-E333 HydrophobicContact CD2-CG 4.14Å; F240-E333 HydrophobicContact CE1-CB 3.73Å; F240-E333 HydrophobicContact CE1-CG 4.16Å; F240-E333 HydrophobicContact CG-CB 4Å; F240-E333 HydrophobicContact CG-CG 3.48Å; F240-E333 VanDerWaalsContact CG-CG 3.48Å; F240-E333 HydrophobicContact CZ-CB 4.46Å; F240-P353 WeakPolarHBondContact CD2-O 3.33Å; F240-P353 HydrophobicContact CE2-CB 4.44Å; F240-P353 HydrophobicContact CE2-CG 4.12Å; F240-T354 WeakPolarHBondContact CB-O 3.45Å; F240-T354 PolarHBondContact N-O 3.17Å; F240-G356 WeakPolarHBondContact CZ-O 3.19Å; F240-F420 HydrophobicContact CE2-CE2 4.34Å; F240-F420 AromaticContact CE2-CZ 3.89Å; F240-F420 HydrophobicContact CE2-CZ 3.89Å; F240-F420 HydrophobicContact CZ-CE2 4.03Å; F240-F420 AromaticContact CZ-CZ 3.92Å; F240-F420 HydrophobicContact CZ-CZ 3.92Å
241	P	92.5	Very high	97.3	Very high	90 Å²	90	27.2 Å²	27.2	58%	0.584	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	144.2	176.7	-27.8	35.2	0	0	0	112.7
242	P	94.2	Very high	97.3	Very high	122 Å²	122	28.5 Å²	28.5	79%	0.792	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.4	9.3	5.6	36.9	-37.1	0	0	0	114.6
243	N	96.2	Very high	97.3	Very high	42 Å²	42	28.2 Å²	28.2	23%	0.225	16%	0.157	C	C	.	.			trans	-69.8	160.3	-174.9	-53	-74.1	0	0	0	111.9	V239 F240 T354	V239-N243 VanDerWaalsContact CG1-C 3.48Å; V239-N243 HydrophobicContact CG1-CB 3.68Å; V239-N243 WeakPolarHBondContact CG1-O 3.34Å; F240-N243 VanDerWaalsContact O-CB 3.32Å; F240-N243 WeakPolarHBondContact O-CB 3.14Å; F240-N243 PolarHBondContact O-N 2.91Å; F240-N243 PolarHBondContact O-ND2 3.08Å; N243-T354 WeakPolarHBondContact ND2-CB 3.19Å
244	Q	95.8	Very high	97.3	Very high	143 Å²	143	28.2 Å²	28.2	67%	0.668	16%	0.157	S	C	*	.			trans	-133.1	141.1	176.7	-64.6	-177.8	-4.7	0	0	109.9	V209 I246	V209-Q244 WeakPolarHBondContact CG1-O 3.27Å; Q244-I246 PolarHBondContact O-N 3.2Å
245	H	97.8	Very high	97.3	Very high	40 Å²	40	28.3 Å²	28.3	19%	0.185	16%	0.156	C	C	.	.			trans	-76.6	118.6	169.6	-171.5	55.8	0	0	0	109.5	T201 E233 E236 V239	T201-H245 PolarHBondContact O-CE1 3.31Å; E233-H245 IonicContact OE2-CD2 3.95Å; E233-H245 IonicContact OE2-CE1 3.03Å; E233-H245 IonicContact OE2-NE2 2.76Å; E233-H245 PolarHBondContact OE2-NE2 3.3Å; E236-H245 VanDerWaalsContact CB-CD2 3.41Å; E236-H245 WeakPolarHBondContact CB-CD2 3.35Å; V239-H245 HydrophobicContact CG2-CB 3.82Å
246	I	98.3	Very high	97.3	Very high	19 Å²	19	29.6 Å²	29.6	10%	0.097	17%	0.166	C	C	.	.			trans	-112.2	123.4	174.8	-61.2	170.4	0	0	0	107.5	R212 L215 Q244 I248	R212-I246 HydrophobicContact CB-CD1 3.7Å; L215-I246 HydrophobicContact CD1-CB 3.57Å; L215-I246 HydrophobicContact CD1-CG2 3.68Å; L215-I246 VanDerWaalsContact CD1-O 3.29Å; L215-I246 WeakPolarHBondContact CD1-O 3.47Å; Q244-I246 PolarHBondContact O-N 3.2Å; I246-I248 PolarHBondContact O-N 3.27Å
247	K	98.7	Very high	97.4	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.017	17%	0.168	C	C	.	.			trans	-78.4	120.7	175.3	-53.8	-164.8	168.3	-77.7	0	108.3	Y80 F83 L84 E233 E236 A249 S250	Y80-K247 HydrophobicContact CD1-CD 4.49Å; F83-K247 HydrophobicContact CB-CD 3.82Å; L84-K247 HydrophobicContact CD2-CB 3.95Å; L84-K247 HydrophobicContact CD2-CD 3.63Å; L84-K247 HydrophobicContact CD2-CG 4.42Å; L84-K247 HydrophobicContact CG-CD 3.96Å; E233-K247 VanDerWaalsContact OE2-CG 3.3Å; E233-K247 WeakPolarHBondContact OE2-CG 3.28Å; E233-K247 IonicContact OE2-NZ 2.76Å; E233-K247 PolarHBondContact OE2-NZ 3.1Å; E236-K247 WeakPolarHBondContact OE2-CE 3.36Å; E236-K247 IonicContact OE2-NZ 2.81Å; E236-K247 PolarHBondContact OE2-NZ 3.09Å; K247-A249 PolarHBondContact O-N 3.04Å; K247-A249 VanDerWaalsContact O-N 3.09Å; K247-S250 PolarHBondContact O-N 2.86Å; K247-S250 PolarHBondContact O-OG 3.31Å
248	I	98.9	Very high	97.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-58.8	-29.1	-179.3	-161.8	171.7	0	0	0	112.1	L199 L215 I218 A219 I246 S250 L251 M254 T258	L199-I248 HydrophobicContact CD2-CB 4.02Å; L199-I248 HydrophobicContact CD2-CD1 3.88Å; L199-I248 HydrophobicContact CD2-CG2 3.95Å; L215-I248 HydrophobicContact CB-CG1 4.5Å; L215-I248 HydrophobicContact CD2-CB 4.29Å; L215-I248 HydrophobicContact CD2-CD1 4.32Å; L215-I248 HydrophobicContact CD2-CG1 4.42Å; I218-I248 HydrophobicContact CB-CD1 4.14Å; I218-I248 HydrophobicContact CG2-CD1 3.73Å; A219-I248 HydrophobicContact CB-CD1 4.45Å; A219-I248 HydrophobicContact CB-CG1 4.45Å; I246-I248 PolarHBondContact O-N 3.27Å; I248-S250 PolarHBondContact O-N 2.74Å; I248-L251 HydrophobicContact CG1-CD1 4.12Å; I248-L251 WeakPolarHBondContact O-CB 3.46Å; I248-L251 PolarHBondContact O-N 3.44Å; I248-L251 VanDerWaalsContact O-N 3.08Å; I248-M254 HydrophobicContact CD1-CE 3.89Å; I248-M254 HydrophobicContact CG1-CE 3.97Å; I248-M254 HydrophobicContact CG1-CG 4.4Å; I248-M254 WeakPolarHBondContact O-CB 3.44Å; I248-T258 HydrophobicContact CG2-CG2 3.8Å
249	A	98.8	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-62.9	-17.6	174.9	0	0	0	0	0	114.8	L84 K247 W255 T258	L84-A249 HydrophobicContact CD2-CB 3.55Å; K247-A249 PolarHBondContact O-N 3.04Å; K247-A249 VanDerWaalsContact O-N 3.09Å; A249-W255 HydrophobicContact CB-CE3 4.45Å; A249-T258 HydrophobicContact CB-CG2 3.75Å
250	S	98.6	Very high	97.7	Very high	18 Å²	18	28 Å²	28	13%	0.126	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-85.8	-8.9	174.7	75.1	0	0	0	0	113.3	L84 C86 K247 I248	L84-S250 WeakPolarHBondContact O-CA 3.43Å; L84-S250 WeakPolarHBondContact O-CB 3.35Å; C86-S250 WeakPolarHBondContact CA-O 3.23Å; C86-S250 WeakPolarHBondContact CB-O 3.45Å; C86-S250 PolarHBondContact SG-O 2.93Å; C86-S250 VanDerWaalsContact SG-O 3.33Å; K247-S250 PolarHBondContact O-N 2.86Å; K247-S250 PolarHBondContact O-OG 3.31Å; I248-S250 PolarHBondContact O-N 2.74Å
251	L	98.6	Very high	97.9	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	16%	0.156	C	C	.	.	S	Bend	trans	-73.6	152.1	174.7	-60.2	-175	0	0	0	111.2	L215 E216 A219 I248 G253 M254	L215-L251 HydrophobicContact CB-CD1 3.88Å; E216-L251 HydrophobicContact CG-CD1 3.92Å; E216-L251 HydrophobicContact CG-CD2 4.33Å; A219-L251 HydrophobicContact CB-CD1 4.02Å; I248-L251 HydrophobicContact CG1-CD1 4.12Å; I248-L251 WeakPolarHBondContact O-CB 3.46Å; I248-L251 PolarHBondContact O-N 3.44Å; I248-L251 VanDerWaalsContact O-N 3.08Å; L251-G253 PolarHBondContact O-N 2.64Å; L251-M254 HydrophobicContact CB-CB 4.41Å; L251-M254 HydrophobicContact CB-CG 4.08Å; L251-M254 PolarHBondContact O-N 2.8Å
252	P	98.5	Very high	98.2	Very high	27 Å²	27	23.6 Å²	23.6	18%	0.175	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	130	175.7	-29.2	36.7	0	0	0	113.1	L90 L97 S101 M254	L90-P252 HydrophobicContact CB-CG 3.95Å; L97-P252 HydrophobicContact CB-CB 4.48Å; L97-P252 HydrophobicContact CD1-CB 4.36Å; S101-P252 WeakPolarHBondContact OG-CA 3.47Å; P252-M254 PolarHBondContact O-N 3.11Å
253	G	98.3	Very high	98.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	0.3	176.2	0	0	0	0	0	115.9	D100 S101 L251	D100-G253 CarbonylContact O-C 3.57Å; S101-G253 PolarHBondContact OG-N 3.47Å; L251-G253 PolarHBondContact O-N 2.64Å
254	M	98.8	Very high	98.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-22.3	-174	-73.6	-57.1	-66.7	0	0	114.5	A219 C222 I223 C229 I248 L251 P252 S256 R257 T258	A219-M254 HydrophobicContact CB-CE 4.36Å; A219-M254 HydrophobicContact CB-CG 3.55Å; A219-M254 HydrophobicContact CB-SD 3.6Å; C222-M254 HydrophobicContact CB-CE 3.91Å; C222-M254 HydrophobicContact CB-SD 4.07Å; I223-M254 HydrophobicContact CD1-SD 4.15Å; I223-M254 HydrophobicContact CG1-SD 3.97Å; C229-M254 HydrophobicContact CB-CE 3.88Å; I248-M254 HydrophobicContact CD1-CE 3.89Å; I248-M254 HydrophobicContact CG1-CE 3.97Å; I248-M254 HydrophobicContact CG1-CG 4.4Å; I248-M254 WeakPolarHBondContact O-CB 3.44Å; L251-M254 HydrophobicContact CB-CB 4.41Å; L251-M254 HydrophobicContact CB-CG 4.08Å; L251-M254 PolarHBondContact O-N 2.8Å; P252-M254 PolarHBondContact O-N 3.11Å; M254-S256 PolarHBondContact O-N 3.13Å; M254-R257 HydrophobicContact CE-CG 4.25Å; M254-R257 CarbonylContact O-C 3.57Å; M254-R257 WeakPolarHBondContact O-CG 3.41Å; M254-R257 PolarHBondContact O-N 3.16Å; M254-R257 HydrophobicContact SD-CG 4.09Å; M254-T258 VanDerWaalsContact O-CB 3.26Å; M254-T258 WeakPolarHBondContact O-CB 3.43Å; M254-T258 PolarHBondContact O-N 2.88Å; M254-T258 VanDerWaalsContact O-N 3.13Å; M254-T258 PolarHBondContact O-OG1 3.19Å
255	W	98.8	Very high	98.6	Very high	13 Å²	13	9.6 Å²	9.6	5%	0.049	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-59.9	-47.9	-177.5	169.1	-102.6	0	0	0	112.6	L84 D100 F102 R106 E113 A249 R257 T258 I279 G280 P281	L84-W255 HydrophobicContact CD1-CZ3 4.01Å; D100-W255 WeakPolarHBondContact O-CB 3.19Å; D100-W255 PolarHBondContact O-N 3.49Å; F102-W255 HydrophobicContact CB-CB 3.75Å; F102-W255 HydrophobicContact CB-CD2 3.86Å; F102-W255 HydrophobicContact CB-CE3 4.07Å; F102-W255 HydrophobicContact CB-CG 3.7Å; F102-W255 AromaticContact CD2-CD2 3.54Å; F102-W255 HydrophobicContact CD2-CD2 3.54Å; F102-W255 AromaticContact CD2-CE2 3.54Å; F102-W255 AromaticContact CD2-CE3 3.84Å; F102-W255 HydrophobicContact CD2-CE3 3.84Å; F102-W255 HydrophobicContact CD2-CG 4.02Å; F102-W255 HydrophobicContact CD2-CH2 4.11Å; F102-W255 AromaticContact CD2-CZ2 3.84Å; F102-W255 HydrophobicContact CD2-CZ2 3.84Å; F102-W255 HydrophobicContact CD2-CZ3 4.13Å; F102-W255 AromaticContact CD2-NE1 3.96Å; F102-W255 HydrophobicContact CE2-CH2 4.2Å; F102-W255 HydrophobicContact CE2-CZ2 4.03Å; F102-W255 HydrophobicContact CG-CD2 4.08Å; F102-W255 HydrophobicContact CG-CE3 4.18Å; F102-W255 HydrophobicContact CG-CG 4.35Å; R106-W255 VanDerWaalsContact NH1-CE2 3.32Å; E113-W255 HydrophobicContact CB-CZ2 4.42Å; E113-W255 HydrophobicContact CG-CZ2 4.33Å; E113-W255 WeakPolarHBondContact OE1-CZ2 3.46Å; A249-W255 HydrophobicContact CB-CE3 4.45Å; W255-R257 PolarHBondContact O-N 2.82Å; W255-T258 PolarHBondContact O-N 3.39Å; W255-I279 HydrophobicContact CH2-CG2 4.02Å; W255-I279 HydrophobicContact CZ3-CG2 4.17Å; W255-G280 VanDerWaalsContact CH2-C 3.44Å; W255-G280 WeakPolarHBondContact CH2-O 3.18Å; W255-G280 WeakPolarHBondContact CZ2-O 3.32Å; W255-P281 VanDerWaalsContact O-CD 3.28Å; W255-P281 WeakPolarHBondContact O-CD 3.49Å; W255-P281 WeakPolarHBondContact O-CG 3.32Å
256	S	98.5	Very high	98.5	Very high	31 Å²	31	10 Å²	10	22%	0.217	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-65.5	-8.3	-176.7	68.7	0	0	0	0	114.4	D100 M254	D100-S256 VanDerWaalsContact CB-OG 3.26Å; D100-S256 WeakPolarHBondContact CB-OG 2.96Å; D100-S256 PolarHBondContact O-N 3.41Å; D100-S256 VanDerWaalsContact O-N 3.09Å; D100-S256 VanDerWaalsContact OD1-CB 3.28Å; D100-S256 WeakPolarHBondContact OD1-CB 3.42Å; D100-S256 PolarHBondContact OD1-OG 3.48Å; M254-S256 PolarHBondContact O-N 3.13Å
257	R	98.8	Very high	98.5	Very high	28 Å²	28	9.1 Å²	9.1	11%	0.106	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-130.9	17.4	-177.2	65.1	179.2	61.3	-98.7	-2.3	114.4	N226 L227 V228 C229 M254 W255	N226-R257 VanDerWaalsContact C-NH1 3.32Å; N226-R257 PolarHBondContact OD1-NH1 3.43Å; N226-R257 PolarHBondContact OD1-NH2 3.29Å; L227-R257 PolarHBondContact O-NH1 3.07Å; V228-R257 CarbonylContact C-O 3.47Å; V228-R257 WeakPolarHBondContact CA-O 3.31Å; C229-R257 PolarHBondContact N-O 3.26Å; M254-R257 HydrophobicContact CE-CG 4.25Å; M254-R257 CarbonylContact O-C 3.57Å; M254-R257 WeakPolarHBondContact O-CG 3.41Å; M254-R257 PolarHBondContact O-N 3.16Å; M254-R257 HydrophobicContact SD-CG 4.09Å; W255-R257 PolarHBondContact O-N 2.82Å
258	T	99	Very high	98.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136	-178.9	-55.4	0	0	0	0	112.6	C229 I248 A249 M254 W255 P281	C229-T258 HydrophobicContact CB-CG2 4.34Å; C229-T258 CarbonylContact O-C 3.44Å; C229-T258 VanDerWaalsContact O-CA 3.28Å; C229-T258 WeakPolarHBondContact O-CA 3.31Å; I248-T258 HydrophobicContact CG2-CG2 3.8Å; A249-T258 HydrophobicContact CB-CG2 3.75Å; M254-T258 VanDerWaalsContact O-CB 3.26Å; M254-T258 WeakPolarHBondContact O-CB 3.43Å; M254-T258 PolarHBondContact O-N 2.88Å; M254-T258 VanDerWaalsContact O-N 3.13Å; M254-T258 PolarHBondContact O-OG1 3.19Å; W255-T258 PolarHBondContact O-N 3.39Å; T258-P281 WeakPolarHBondContact O-CD 3.42Å
259	L	99	Very high	98.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.6	163.9	-70.7	175.1	0	0	0	108.7	A127 L131 C229 I230 S231 T278 L284 I285 M288	A127-L259 HydrophobicContact CB-CD1 3.75Å; L131-L259 HydrophobicContact CD1-CD1 3.65Å; C229-L259 PolarHBondContact O-N 3.2Å; I230-L259 HydrophobicContact CG1-CD1 4.45Å; S231-L259 PolarHBondContact N-O 3.42Å; L259-T278 HydrophobicContact CB-CG2 3.78Å; L259-T278 HydrophobicContact CD2-CG2 3.8Å; L259-T278 HydrophobicContact CG-CG2 4.27Å; L259-L284 HydrophobicContact CD1-CB 4.47Å; L259-L284 HydrophobicContact CD2-CB 3.74Å; L259-L284 HydrophobicContact CD2-CD1 4.48Å; L259-L284 HydrophobicContact CG-CB 4.19Å; L259-L284 HydrophobicContact CG-CD1 4.23Å; L259-I285 HydrophobicContact CD2-CD1 3.79Å; L259-I285 HydrophobicContact CD2-CG1 4.32Å; L259-M288 HydrophobicContact CD1-CG 4.49Å; L259-M288 HydrophobicContact CD1-SD 3.76Å; L259-M288 HydrophobicContact CD2-SD 3.96Å; L259-M288 HydrophobicContact CG-SD 4.47Å
260	T	99	Very high	98.2	Very high	2 Å²	2	10 Å²	10	1%	0.012	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.7	176.8	-67	0	0	0	0	110.1	E233 T278 I279	E233-T260 HydrophobicContact CB-CG2 4.46Å; E233-T260 HydrophobicContact CG-CG2 4.28Å; E233-T260 WeakPolarHBondContact OE2-CG2 3.26Å; T260-T278 CarbonylContact O-C 3.52Å; T260-T278 WeakPolarHBondContact O-CA 3.39Å; T260-I279 PolarHBondContact N-O 2.68Å; T260-I279 PolarHBondContact O-N 2.65Å
261	I	98.9	Very high	98.1	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.6	-174.8	-65.2	175.6	0	0	0	110.6	A120 L124 I230 S231 E233 V234 W277 T278	A120-I261 HydrophobicContact CB-CG2 3.57Å; L124-I261 HydrophobicContact CD2-CD1 3.69Å; L124-I261 HydrophobicContact CG-CD1 3.9Å; I230-I261 HydrophobicContact CG2-CD1 3.64Å; S231-I261 PolarHBondContact O-N 2.76Å; E233-I261 CarbonylContact C-O 3.57Å; E233-I261 WeakPolarHBondContact CA-O 3.11Å; E233-I261 PolarHBondContact N-O 3.44Å; V234-I261 HydrophobicContact CG1-CG2 4.47Å; I261-W277 WeakPolarHBondContact CA-O 3.46Å; I261-T278 HydrophobicContact CG1-CG2 3.98Å
262	G	98.8	Very high	98	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	168.5	174	0	0	0	0	0	113.1	G276 W277	G262-G276 VanDerWaalsContact O-CA 3.32Å; G262-G276 WeakPolarHBondContact O-CA 3Å; G262-W277 PolarHBondContact N-O 2.83Å; G262-W277 VanDerWaalsContact N-O 3.08Å; G262-W277 PolarHBondContact O-N 3.13Å; G262-W277 VanDerWaalsContact O-N 3.14Å
263	S	98.7	Very high	98	Very high	11 Å²	11	14.6 Å²	14.6	8%	0.077	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	122.7	179.8	-176	0	0	0	0	113	G265 K266 T267 L275	S263-G265 PolarHBondContact O-N 3.23Å; S263-G265 PolarHBondContact OG-N 3.24Å; S263-K266 PolarHBondContact O-N 3.32Å; S263-T267 WeakPolarHBondContact O-CB 3.44Å; S263-T267 PolarHBondContact O-N 2.94Å; S263-T267 PolarHBondContact O-OG1 2.79Å; S263-L275 PolarHBondContact OG-O 2.98Å
264	A	98.4	Very high	98	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-54.1	-39.6	170.2	0	0	0	0	0	112	K266 T267 F268 L275 W277 V307	A264-K266 PolarHBondContact O-N 2.98Å; A264-T267 PolarHBondContact O-N 2.87Å; A264-F268 WeakPolarHBondContact O-CB 3.44Å; A264-F268 PolarHBondContact O-N 2.83Å; A264-L275 HydrophobicContact CB-CB 4.02Å; A264-L275 WeakPolarHBondContact CB-O 3.37Å; A264-L275 PolarHBondContact N-O 3.48Å; A264-W277 HydrophobicContact CB-CH2 4.33Å; A264-W277 HydrophobicContact CB-CZ3 3.84Å; A264-W277 VanDerWaalsContact N-CZ3 3.32Å; A264-V307 HydrophobicContact CB-CG1 4.02Å; A264-V307 HydrophobicContact CB-CG2 3.67Å
265	G	97.5	Very high	97.9	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-65.4	-26	-177.8	0	0	0	0	0	114	S263 S269 V270 T271	S263-G265 PolarHBondContact O-N 3.23Å; S263-G265 PolarHBondContact OG-N 3.24Å; G265-S269 CarbonylContact O-C 3.5Å; G265-S269 WeakPolarHBondContact O-CA 3.28Å; G265-S269 PolarHBondContact O-N 2.96Å; G265-V270 WeakPolarHBondContact CA-O 3.3Å; G265-V270 PolarHBondContact O-N 3.35Å; G265-T271 WeakPolarHBondContact O-CG2 3.41Å; G265-T271 PolarHBondContact O-N 3.32Å
266	K	96.5	Very high	97.9	Very high	48 Å²	48	18.8 Å²	18.8	21%	0.209	11%	0.112	C	C	.	.	H	α-helix	trans	-94.9	-35.6	177.1	-56.4	-64.5	178.5	148.9	0	111.4	V234 Y235 S263 A264 T271 Y357	V234-K266 HydrophobicContact CB-CB 4.17Å; V234-K266 HydrophobicContact CB-CG 3.9Å; V234-K266 HydrophobicContact CG2-CG 4.11Å; V234-K266 WeakPolarHBondContact O-CB 3.34Å; Y235-K266 HydrophobicContact CE1-CD 3.98Å; Y235-K266 PolarHBondContact OH-NZ 3.48Å; S263-K266 PolarHBondContact O-N 3.32Å; A264-K266 PolarHBondContact O-N 2.98Å; K266-T271 HydrophobicContact CD-CG2 4.42Å; K266-Y357 VanDerWaalsContact CD-OH 3.3Å; K266-Y357 WeakPolarHBondContact CD-OH 3.24Å; K266-Y357 PolarHBondContact NZ-OH 3.07Å
267	T	96.8	Very high	98	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-43.6	173.6	-60.1	0	0	0	0	112.8	S263 A264 Y324 F325	S263-T267 WeakPolarHBondContact O-CB 3.44Å; S263-T267 PolarHBondContact O-N 2.94Å; S263-T267 PolarHBondContact O-OG1 2.79Å; A264-T267 PolarHBondContact O-N 2.87Å; T267-Y324 WeakPolarHBondContact O-CD1 3.11Å; T267-Y324 WeakPolarHBondContact O-CE1 3.29Å; T267-F325 HydrophobicContact CG2-CD1 4.2Å; T267-F325 HydrophobicContact CG2-CE1 3.35Å; T267-F325 HydrophobicContact CG2-CZ 3.87Å
268	F	97	Very high	98	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-115.5	13.7	-171.7	-66.7	-67.5	0	0	0	113.6	P40 V44 A264 V270 V307 L311 E314 Y324 F325	P40-F268 WeakPolarHBondContact CB-O 3.49Å; V44-F268 HydrophobicContact CG1-CB 4.04Å; V44-F268 HydrophobicContact CG1-CG 4.43Å; V44-F268 HydrophobicContact CG2-CB 4.26Å; V44-F268 HydrophobicContact CG2-CD1 3.61Å; V44-F268 HydrophobicContact CG2-CE1 4.25Å; V44-F268 HydrophobicContact CG2-CG 4.21Å; A264-F268 WeakPolarHBondContact O-CB 3.44Å; A264-F268 PolarHBondContact O-N 2.83Å; F268-V270 HydrophobicContact CB-CG2 3.84Å; F268-V270 PolarHBondContact O-N 3.03Å; F268-V270 VanDerWaalsContact O-N 3.09Å; F268-V307 HydrophobicContact CE2-CG1 4.23Å; F268-L311 HydrophobicContact CE2-CD2 3.66Å; F268-L311 HydrophobicContact CE2-CG 3.82Å; F268-L311 HydrophobicContact CZ-CD2 3.54Å; F268-L311 HydrophobicContact CZ-CG 3.81Å; F268-E314 HydrophobicContact CE1-CG 3.85Å; F268-E314 HydrophobicContact CZ-CG 4.43Å; F268-Y324 HydrophobicContact CD1-CD1 4.21Å; F268-F325 HydrophobicContact CE1-CE1 4.02Å; F268-F325 HydrophobicContact CE1-CZ 4.45Å; F268-F325 HydrophobicContact CZ-CE1 4.27Å; F268-F325 HydrophobicContact CZ-CZ 4.34Å
269	S	96	Very high	98	Very high	10 Å²	10	16.1 Å²	16.1	7%	0.07	10%	0.097	C	C	.	.	S	Bend	trans	59.8	21.9	179.6	-63.2	0	0	0	0	115.2	G265 Y324 F421	G265-S269 CarbonylContact O-C 3.5Å; G265-S269 WeakPolarHBondContact O-CA 3.28Å; G265-S269 PolarHBondContact O-N 2.96Å; S269-Y324 VanDerWaalsContact CB-OH 3.27Å; S269-Y324 WeakPolarHBondContact CB-OH 3.32Å; S269-Y324 PolarHBondContact OG-OH 3.32Å; S269-F421 VanDerWaalsContact OG-CE1 3.23Å; S269-F421 WeakPolarHBondContact OG-CE1 3.44Å; S269-F421 WeakPolarHBondContact OG-CZ 3.48Å
270	V	97	Very high	98	Very high	12 Å²	12	16.1 Å²	16.1	7%	0.073	10%	0.097	C	C	.	.			trans	-111	56.1	-178.5	-70.9	0	0	0	0	111.4	P40 V44 G265 F268 G272 W273	P40-V270 HydrophobicContact CB-CG1 3.93Å; P40-V270 HydrophobicContact CG-CG1 3.67Å; V44-V270 HydrophobicContact CG1-CG1 4.05Å; G265-V270 WeakPolarHBondContact CA-O 3.3Å; G265-V270 PolarHBondContact O-N 3.35Å; F268-V270 HydrophobicContact CB-CG2 3.84Å; F268-V270 PolarHBondContact O-N 3.03Å; F268-V270 VanDerWaalsContact O-N 3.09Å; V270-G272 PolarHBondContact O-N 3.16Å; V270-W273 HydrophobicContact CB-CB 4.32Å; V270-W273 HydrophobicContact CB-CD2 3.78Å; V270-W273 HydrophobicContact CB-CE3 4.44Å; V270-W273 HydrophobicContact CB-CG 3.7Å; V270-W273 HydrophobicContact CG1-CD2 4.26Å; V270-W273 HydrophobicContact CG1-CZ2 4.15Å; V270-W273 HydrophobicContact CG2-CB 4.1Å; V270-W273 HydrophobicContact CG2-CD2 3.52Å; V270-W273 HydrophobicContact CG2-CE3 3.71Å; V270-W273 HydrophobicContact CG2-CG 3.72Å; V270-W273 HydrophobicContact CG2-CZ3 4.33Å; V270-W273 WeakPolarHBondContact O-CB 3.15Å; V270-W273 PolarHBondContact O-N 3.28Å
271	T	96.4	Very high	97.9	Very high	44 Å²	44	16.4 Å²	16.4	27%	0.27	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-54.3	-27	-172.4	60.6	0	0	0	0	114.4	F35 G265 K266 W273	F35-T271 HydrophobicContact CB-CG2 3.86Å; F35-T271 WeakPolarHBondContact CB-OG1 3.15Å; G265-T271 WeakPolarHBondContact O-CG2 3.41Å; G265-T271 PolarHBondContact O-N 3.32Å; K266-T271 HydrophobicContact CD-CG2 4.42Å; T271-W273 VanDerWaalsContact C-N 3.34Å; T271-W273 PolarHBondContact O-N 3.01Å
272	G	97.3	Very high	97.9	Very high	68 Å²	68	18.1 Å²	18.1	70%	0.701	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	-71.9	-16.5	174.7	0	0	0	0	0	115.6	V270 K274	V270-G272 PolarHBondContact O-N 3.16Å; G272-K274 PolarHBondContact O-N 3.15Å
273	W	97.9	Very high	97.9	Very high	33 Å²	33	22.6 Å²	22.6	13%	0.125	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-70.8	-20.3	177.3	-73	17.7	0	0	0	112.8	V44 L48 V270 T271 L275 L303 A306 V307	V44-W273 HydrophobicContact CG1-CH2 3.65Å; V44-W273 HydrophobicContact CG1-CZ2 4.09Å; V44-W273 HydrophobicContact CG1-CZ3 4.23Å; V44-W273 WeakPolarHBondContact O-CH2 3.39Å; L48-W273 HydrophobicContact CB-CH2 3.93Å; L48-W273 HydrophobicContact CB-CZ2 3.69Å; L48-W273 HydrophobicContact CD2-CZ2 3.65Å; L48-W273 HydrophobicContact CG-CZ2 4.23Å; V270-W273 HydrophobicContact CB-CB 4.32Å; V270-W273 HydrophobicContact CB-CD2 3.78Å; V270-W273 HydrophobicContact CB-CE3 4.44Å; V270-W273 HydrophobicContact CB-CG 3.7Å; V270-W273 HydrophobicContact CG1-CD2 4.26Å; V270-W273 HydrophobicContact CG1-CZ2 4.15Å; V270-W273 HydrophobicContact CG2-CB 4.1Å; V270-W273 HydrophobicContact CG2-CD2 3.52Å; V270-W273 HydrophobicContact CG2-CE3 3.71Å; V270-W273 HydrophobicContact CG2-CG 3.72Å; V270-W273 HydrophobicContact CG2-CZ3 4.33Å; V270-W273 WeakPolarHBondContact O-CB 3.15Å; V270-W273 PolarHBondContact O-N 3.28Å; T271-W273 VanDerWaalsContact C-N 3.34Å; T271-W273 PolarHBondContact O-N 3.01Å; W273-L275 PolarHBondContact O-N 2.82Å; W273-L275 VanDerWaalsContact O-N 3.09Å; W273-L303 HydrophobicContact CD2-CD2 4.35Å; W273-L303 HydrophobicContact CG-CD2 4.32Å; W273-L303 WeakPolarHBondContact O-CD1 3.26Å; W273-A306 HydrophobicContact CH2-CB 3.82Å; W273-A306 HydrophobicContact CZ3-CB 3.79Å; W273-V307 HydrophobicContact CE3-CG2 3.53Å; W273-V307 HydrophobicContact CZ3-CG2 3.6Å
274	K	98.1	Very high	97.9	Very high	102 Å²	102	22.9 Å²	22.9	44%	0.443	14%	0.138	S	C	.	.			trans	46.6	47.1	173.2	-68.1	-64.2	-56.2	-173.8	0	113.1	V118 G119 G272	V118-K274 CarbonylContact C-O 3.37Å; V118-K274 WeakPolarHBondContact CA-O 3.47Å; V118-K274 HydrophobicContact CG1-CB 4.42Å; G119-K274 VanDerWaalsContact N-C 3.35Å; G119-K274 PolarHBondContact N-O 3.48Å; G272-K274 PolarHBondContact O-N 3.15Å
275	L	98.5	Very high	98	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.138	C	C	.	.			trans	-116.2	139.1	173.2	-157.7	76.8	0	0	0	110.5	L72 I116 G119 S263 A264 W273 C299 Q304 V307	L72-L275 HydrophobicContact CD2-CD2 3.66Å; I116-L275 HydrophobicContact CG2-CD1 3.73Å; I116-L275 HydrophobicContact CG2-CD2 4.47Å; I116-L275 HydrophobicContact CG2-CG 4.05Å; G119-L275 VanDerWaalsContact CA-C 3.41Å; S263-L275 PolarHBondContact OG-O 2.98Å; A264-L275 HydrophobicContact CB-CB 4.02Å; A264-L275 WeakPolarHBondContact CB-O 3.37Å; A264-L275 PolarHBondContact N-O 3.48Å; W273-L275 PolarHBondContact O-N 2.82Å; W273-L275 VanDerWaalsContact O-N 3.09Å; L275-C299 HydrophobicContact CD1-CB 4.1Å; L275-Q304 HydrophobicContact CD1-CG 3.68Å; L275-Q304 HydrophobicContact CD2-CB 4.39Å; L275-Q304 HydrophobicContact CD2-CG 3.87Å; L275-Q304 HydrophobicContact CG-CG 4.39Å; L275-V307 HydrophobicContact CD2-CB 3.88Å; L275-V307 HydrophobicContact CD2-CG1 4.25Å; L275-V307 HydrophobicContact CD2-CG2 3.65Å
276	G	98.7	Very high	98	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	177.2	178.8	0	0	0	0	0	110.7	I116 T117 G262	I116-G276 WeakPolarHBondContact CG2-O 3.47Å; T117-G276 PolarHBondContact N-O 3.32Å; T117-G276 PolarHBondContact O-N 2.7Å; T117-G276 PolarHBondContact OG1-O 3.04Å; G262-G276 VanDerWaalsContact O-CA 3.32Å; G262-G276 WeakPolarHBondContact O-CA 3Å
277	W	98.9	Very high	98.1	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	162.9	-180	49.3	88.4	0	0	0	110.6	L76 Y80 I115 I116 S123 I261 G262 A264 V307	L76-W277 HydrophobicContact CD1-CB 3.89Å; L76-W277 HydrophobicContact CD1-CD2 3.96Å; L76-W277 HydrophobicContact CD1-CE3 4.09Å; L76-W277 HydrophobicContact CD1-CG 3.86Å; L76-W277 HydrophobicContact CD2-CD2 3.64Å; L76-W277 HydrophobicContact CD2-CE3 3.99Å; L76-W277 HydrophobicContact CD2-CG 4.04Å; L76-W277 HydrophobicContact CD2-CH2 4.29Å; L76-W277 HydrophobicContact CD2-CZ2 3.98Å; L76-W277 HydrophobicContact CD2-CZ3 4.28Å; L76-W277 HydrophobicContact CG-CD2 4.5Å; Y80-W277 AromaticContact CE2-CE2 3.94Å; Y80-W277 HydrophobicContact CE2-CZ2 4.25Å; Y80-W277 AromaticContact CE2-NE1 3.32Å; Y80-W277 VanDerWaalsContact CE2-NE1 3.32Å; Y80-W277 AromaticContact CZ-NE1 3.33Å; Y80-W277 VanDerWaalsContact CZ-NE1 3.33Å; Y80-W277 VanDerWaalsContact OH-CZ2 3.26Å; Y80-W277 WeakPolarHBondContact OH-CZ2 3.4Å; Y80-W277 PolarHBondContact OH-NE1 3.15Å; I115-W277 CarbonylContact O-C 3.45Å; I115-W277 WeakPolarHBondContact O-CA 3.05Å; I115-W277 WeakPolarHBondContact O-CB 3.38Å; I116-W277 HydrophobicContact CD1-CB 3.93Å; S123-W277 PolarHBondContact OG-O 3.35Å; S123-W277 VanDerWaalsContact OG-O 3.08Å; I261-W277 WeakPolarHBondContact CA-O 3.46Å; G262-W277 PolarHBondContact N-O 2.83Å; G262-W277 VanDerWaalsContact N-O 3.08Å; G262-W277 PolarHBondContact O-N 3.13Å; G262-W277 VanDerWaalsContact O-N 3.14Å; A264-W277 HydrophobicContact CB-CH2 4.33Å; A264-W277 HydrophobicContact CB-CZ3 3.84Å; A264-W277 VanDerWaalsContact N-CZ3 3.32Å; W277-V307 HydrophobicContact CZ3-CG1 4.2Å
278	T	98.9	Very high	98.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.2	166.1	-47.3	0	0	0	0	108.7	V114 I115 S123 L259 T260 I261 I285 M288	V114-T278 WeakPolarHBondContact CA-O 3.46Å; I115-T278 PolarHBondContact N-O 3.46Å; I115-T278 PolarHBondContact O-N 2.88Å; S123-T278 WeakPolarHBondContact CB-OG1 3.38Å; S123-T278 PolarHBondContact OG-OG1 2.66Å; L259-T278 HydrophobicContact CB-CG2 3.78Å; L259-T278 HydrophobicContact CD2-CG2 3.8Å; L259-T278 HydrophobicContact CG-CG2 4.27Å; T260-T278 CarbonylContact O-C 3.52Å; T260-T278 WeakPolarHBondContact O-CA 3.39Å; I261-T278 HydrophobicContact CG1-CG2 3.98Å; T278-I285 HydrophobicContact CG2-CD1 4.08Å; T278-M288 HydrophobicContact CG2-CE 4.09Å; T278-M288 HydrophobicContact CG2-SD 3.76Å; T278-M288 WeakPolarHBondContact OG1-CE 3.39Å
279	I	98.9	Very high	98.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.7	176.7	-58	179.8	0	0	0	107.9	Y80 L84 I108 E113 V114 W255 T260	Y80-I279 VanDerWaalsContact CB-CD1 3.45Å; Y80-I279 HydrophobicContact CD1-CD1 3.97Å; Y80-I279 HydrophobicContact CD2-CD1 3.26Å; Y80-I279 HydrophobicContact CE2-CD1 3.93Å; Y80-I279 HydrophobicContact CG-CD1 3.28Å; L84-I279 HydrophobicContact CD1-CB 4.4Å; L84-I279 HydrophobicContact CD1-CG2 3.58Å; I108-I279 HydrophobicContact CD1-CG2 3.93Å; I108-I279 HydrophobicContact CG2-CG2 4.26Å; E113-I279 VanDerWaalsContact O-CA 3.3Å; E113-I279 WeakPolarHBondContact O-CA 3.15Å; V114-I279 HydrophobicContact CG1-CG1 4.41Å; V114-I279 HydrophobicContact CG2-CG1 4.3Å; W255-I279 HydrophobicContact CH2-CG2 4.02Å; W255-I279 HydrophobicContact CZ3-CG2 4.17Å; T260-I279 PolarHBondContact N-O 2.68Å; T260-I279 PolarHBondContact O-N 2.65Å
280	G	98.9	Very high	98.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.			trans	176.6	-174.1	-178.7	0	0	0	0	0	112.5	E113 W255 I285	E113-G280 WeakPolarHBondContact CA-O 3.28Å; E113-G280 VanDerWaalsContact CB-O 3.25Å; E113-G280 WeakPolarHBondContact CB-O 3.33Å; E113-G280 PolarHBondContact O-N 2.95Å; W255-G280 VanDerWaalsContact CH2-C 3.44Å; W255-G280 WeakPolarHBondContact CH2-O 3.18Å; W255-G280 WeakPolarHBondContact CZ2-O 3.32Å; G280-I285 WeakPolarHBondContact O-CG1 3.28Å
281	P	98.8	Very high	98.4	Very high	7 Å²	7	34.1 Å²	34.1	5%	0.045	20%	0.196	C	C	.	.			trans	-68.6	145.5	-175.9	32.1	-36.8	0	0	0	110.2	W255 T258 N283 L284 I285	W255-P281 VanDerWaalsContact O-CD 3.28Å; W255-P281 WeakPolarHBondContact O-CD 3.49Å; W255-P281 WeakPolarHBondContact O-CG 3.32Å; T258-P281 WeakPolarHBondContact O-CD 3.42Å; P281-N283 WeakPolarHBondContact CB-OD1 3.07Å; P281-N283 PolarHBondContact O-N 3.43Å; P281-L284 HydrophobicContact CG-CB 4.11Å; P281-L284 HydrophobicContact CG-CD1 3.68Å; P281-L284 HydrophobicContact CG-CG 3.78Å; P281-L284 PolarHBondContact O-N 3.39Å; P281-I285 PolarHBondContact O-N 3.08Å
282	A	98.7	Very high	98.5	Very high	38 Å²	38	32.1 Å²	32.1	31%	0.314	18%	0.183	S	C	.	.	H	α-helix	trans	-54.9	-34.3	-168.6	0	0	0	0	0	114.3	K112 E113 Q286	K112-A282 HydrophobicContact CB-CB 4.05Å; K112-A282 WeakPolarHBondContact O-CA 3.46Å; E113-A282 HydrophobicContact CG-CB 4.26Å; A282-Q286 WeakPolarHBondContact O-CB 3.5Å; A282-Q286 PolarHBondContact O-N 3.15Å
283	N	98.7	Very high	98.5	Very high	95 Å²	95	32.9 Å²	32.9	51%	0.508	17%	0.169	S	C	.	.	H	α-helix	trans	-66.8	-42.7	177.6	62.1	-48.5	0	0	0	112.7	P281 Q286 A287	P281-N283 WeakPolarHBondContact CB-OD1 3.07Å; P281-N283 PolarHBondContact O-N 3.43Å; N283-Q286 PolarHBondContact O-N 2.86Å; N283-A287 PolarHBondContact O-N 3.12Å; N283-A287 VanDerWaalsContact O-N 3.15Å
284	L	98.8	Very high	98.5	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.089	20%	0.196	C	C	.	.	H	α-helix	trans	-73.1	-39.2	178.7	-59	-175.6	0	0	0	110.9	L131 V228 L259 P281 Q286 A287 M288	L131-L284 HydrophobicContact CD2-CD2 3.86Å; V228-L284 HydrophobicContact CG1-CD1 3.97Å; V228-L284 HydrophobicContact CG2-CD1 4.47Å; L259-L284 HydrophobicContact CD1-CB 4.47Å; L259-L284 HydrophobicContact CD2-CB 3.74Å; L259-L284 HydrophobicContact CD2-CD1 4.48Å; L259-L284 HydrophobicContact CG-CB 4.19Å; L259-L284 HydrophobicContact CG-CD1 4.23Å; P281-L284 HydrophobicContact CG-CB 4.11Å; P281-L284 HydrophobicContact CG-CD1 3.68Å; P281-L284 HydrophobicContact CG-CG 3.78Å; P281-L284 PolarHBondContact O-N 3.39Å; L284-Q286 VanDerWaalsContact C-N 3.34Å; L284-A287 WeakPolarHBondContact O-CB 3.48Å; L284-A287 PolarHBondContact O-N 3.02Å; L284-M288 PolarHBondContact O-N 3.08Å; L284-M288 VanDerWaalsContact O-N 3.16Å
285	I	98.8	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-40.5	173.6	-64.8	-66.7	0	0	0	110.7	K112 I115 L259 T278 G280 P281 A287 M288 Q289	K112-I285 WeakPolarHBondContact O-CB 3.48Å; K112-I285 WeakPolarHBondContact O-CG2 3.23Å; I115-I285 HydrophobicContact CB-CG2 4.24Å; I115-I285 HydrophobicContact CG2-CD1 4Å; I115-I285 HydrophobicContact CG2-CG2 4.41Å; L259-I285 HydrophobicContact CD2-CD1 3.79Å; L259-I285 HydrophobicContact CD2-CG1 4.32Å; T278-I285 HydrophobicContact CG2-CD1 4.08Å; G280-I285 WeakPolarHBondContact O-CG1 3.28Å; P281-I285 PolarHBondContact O-N 3.08Å; I285-A287 VanDerWaalsContact C-N 3.31Å; I285-A287 PolarHBondContact O-N 2.95Å; I285-M288 HydrophobicContact CD1-SD 4.32Å; I285-M288 CarbonylContact O-C 3.52Å; I285-M288 WeakPolarHBondContact O-CB 3.31Å; I285-M288 PolarHBondContact O-N 3.01Å; I285-M288 VanDerWaalsContact O-N 3.12Å; I285-Q289 HydrophobicContact CG2-CG 4.23Å; I285-Q289 VanDerWaalsContact O-CG 3.28Å; I285-Q289 WeakPolarHBondContact O-CG 3.45Å; I285-Q289 PolarHBondContact O-N 3.06Å
286	Q	98.6	Very high	98.4	Very high	115 Å²	115	39.7 Å²	39.7	54%	0.537	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-41.4	175.1	-176.5	-180	34	0	0	111.9	A282 N283 L284 M288 Q289 L290	A282-Q286 WeakPolarHBondContact O-CB 3.5Å; A282-Q286 PolarHBondContact O-N 3.15Å; N283-Q286 PolarHBondContact O-N 2.86Å; L284-Q286 VanDerWaalsContact C-N 3.34Å; Q286-M288 VanDerWaalsContact C-N 3.31Å; Q286-M288 PolarHBondContact O-N 2.87Å; Q286-Q289 WeakPolarHBondContact O-CB 3.11Å; Q286-Q289 PolarHBondContact O-N 2.98Å; Q286-Q289 VanDerWaalsContact O-N 3.15Å; Q286-L290 HydrophobicContact CG-CD1 4.44Å; Q286-L290 WeakPolarHBondContact O-CG 3.32Å; Q286-L290 PolarHBondContact O-N 3.04Å
287	A	98.6	Very high	98.4	Very high	30 Å²	30	46 Å²	46	25%	0.248	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-44.2	174.5	0	0	0	0	0	111.4	A130 N283 L284 I285 Q289 L290 H291	A130-A287 HydrophobicContact CB-CB 4.16Å; N283-A287 PolarHBondContact O-N 3.12Å; N283-A287 VanDerWaalsContact O-N 3.15Å; L284-A287 WeakPolarHBondContact O-CB 3.48Å; L284-A287 PolarHBondContact O-N 3.02Å; I285-A287 VanDerWaalsContact C-N 3.31Å; I285-A287 PolarHBondContact O-N 2.95Å; A287-Q289 PolarHBondContact O-N 2.97Å; A287-L290 PolarHBondContact O-N 2.73Å; A287-H291 PolarHBondContact O-N 2.85Å; A287-H291 VanDerWaalsContact O-N 3.12Å
288	M	98.6	Very high	98.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-39.7	174.1	-65.5	-176.5	70.4	0	0	112.7	I115 T126 A127 A130 L259 T278 L284 I285 Q286 H291 Q292	I115-M288 HydrophobicContact CD1-CB 4.01Å; I115-M288 HydrophobicContact CG2-CB 4.45Å; I115-M288 HydrophobicContact CG2-CE 4.06Å; I115-M288 HydrophobicContact CG2-SD 4.25Å; T126-M288 HydrophobicContact CG2-CB 3.67Å; T126-M288 HydrophobicContact CG2-CE 3.78Å; T126-M288 HydrophobicContact CG2-CG 4.04Å; T126-M288 WeakPolarHBondContact CG2-O 3.3Å; A127-M288 HydrophobicContact CB-CE 3.94Å; A127-M288 HydrophobicContact CB-SD 4.08Å; A130-M288 HydrophobicContact CB-CG 4.4Å; L259-M288 HydrophobicContact CD1-CG 4.49Å; L259-M288 HydrophobicContact CD1-SD 3.76Å; L259-M288 HydrophobicContact CD2-SD 3.96Å; L259-M288 HydrophobicContact CG-SD 4.47Å; T278-M288 HydrophobicContact CG2-CE 4.09Å; T278-M288 HydrophobicContact CG2-SD 3.76Å; T278-M288 WeakPolarHBondContact OG1-CE 3.39Å; L284-M288 PolarHBondContact O-N 3.08Å; L284-M288 VanDerWaalsContact O-N 3.16Å; I285-M288 HydrophobicContact CD1-SD 4.32Å; I285-M288 CarbonylContact O-C 3.52Å; I285-M288 WeakPolarHBondContact O-CB 3.31Å; I285-M288 PolarHBondContact O-N 3.01Å; I285-M288 VanDerWaalsContact O-N 3.12Å; Q286-M288 VanDerWaalsContact C-N 3.31Å; Q286-M288 PolarHBondContact O-N 2.87Å; M288-H291 PolarHBondContact O-N 3.44Å; M288-Q292 WeakPolarHBondContact O-CB 3.4Å; M288-Q292 PolarHBondContact O-N 2.83Å
289	Q	98.3	Very high	98.3	Very high	31 Å²	31	47.1 Å²	47.1	15%	0.145	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-42.9	177.5	-69.1	177.5	-2.6	0	0	111.6	M67 L111 I115 I285 Q286 A287 H291 Q292 Q293	M67-Q289 HydrophobicContact CB-CG 4.07Å; M67-Q289 HydrophobicContact CE-CB 3.97Å; M67-Q289 VanDerWaalsContact CE-O 3.31Å; M67-Q289 WeakPolarHBondContact CE-O 3.37Å; M67-Q289 HydrophobicContact CG-CB 4Å; M67-Q289 HydrophobicContact CG-CG 3.58Å; M67-Q289 HydrophobicContact SD-CB 3.59Å; M67-Q289 VanDerWaalsContact SD-CB 3.59Å; M67-Q289 HydrophobicContact SD-CG 3.64Å; L111-Q289 PolarHBondContact O-NE2 3.3Å; I115-Q289 HydrophobicContact CD1-CB 4.49Å; I115-Q289 HydrophobicContact CD1-CG 3.9Å; I115-Q289 HydrophobicContact CG1-CG 4.45Å; I285-Q289 HydrophobicContact CG2-CG 4.23Å; I285-Q289 VanDerWaalsContact O-CG 3.28Å; I285-Q289 WeakPolarHBondContact O-CG 3.45Å; I285-Q289 PolarHBondContact O-N 3.06Å; Q286-Q289 WeakPolarHBondContact O-CB 3.11Å; Q286-Q289 PolarHBondContact O-N 2.98Å; Q286-Q289 VanDerWaalsContact O-N 3.15Å; A287-Q289 PolarHBondContact O-N 2.97Å; Q289-H291 VanDerWaalsContact C-N 3.3Å; Q289-H291 PolarHBondContact O-N 2.92Å; Q289-Q292 PolarHBondContact O-N 2.66Å; Q289-Q293 PolarHBondContact O-N 3.42Å
290	L	98.1	Very high	98.3	Very high	92 Å²	92	50.2 Å²	50.2	48%	0.482	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-32	176.6	-69.3	173.4	0	0	0	112.8	Q286 A287 Q293 N294	Q286-L290 HydrophobicContact CG-CD1 4.44Å; Q286-L290 WeakPolarHBondContact O-CG 3.32Å; Q286-L290 PolarHBondContact O-N 3.04Å; A287-L290 PolarHBondContact O-N 2.73Å; L290-Q293 WeakPolarHBondContact O-CG 3.48Å; L290-N294 PolarHBondContact O-ND2 3.14Å
291	H	97.8	Very high	98.2	Very high	40 Å²	40	50.6 Å²	50.6	19%	0.185	27%	0.272	C	S	.	.	H	α-helix	trans	-72	-48	170.5	177.2	-85.9	0	0	0	111.4	F125 T126 S129 A130 A287 M288 Q289 Q293 N294 T295	F125-H291 AromaticContact CD1-CE1 3.92Å; F125-H291 AromaticContact CE1-CE1 3.62Å; F125-H291 AromaticContact CE1-NE2 3.93Å; T126-H291 HydrophobicContact CG2-CB 4.18Å; S129-H291 WeakPolarHBondContact CB-NE2 3.16Å; A130-H291 HydrophobicContact CB-CB 4.23Å; A287-H291 PolarHBondContact O-N 2.85Å; A287-H291 VanDerWaalsContact O-N 3.12Å; M288-H291 PolarHBondContact O-N 3.44Å; Q289-H291 VanDerWaalsContact C-N 3.3Å; Q289-H291 PolarHBondContact O-N 2.92Å; H291-Q293 PolarHBondContact O-N 3.42Å; H291-N294 PolarHBondContact O-N 2.93Å; H291-T295 PolarHBondContact O-N 3.24Å; H291-T295 PolarHBondContact O-OG1 2.91Å
292	Q	98.1	Very high	98.2	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-38.1	-175.2	-175.3	162.8	-66.6	0	0	113.1	S66 M67 I115 I116 M288 Q289 N294 T295 V296 Y297	S66-Q292 PolarHBondContact O-NE2 2.96Å; M67-Q292 HydrophobicContact SD-CB 4.48Å; I115-Q292 HydrophobicContact CD1-CB 4.07Å; I116-Q292 PolarHBondContact O-NE2 3.07Å; I116-Q292 PolarHBondContact O-OE1 3.45Å; M288-Q292 WeakPolarHBondContact O-CB 3.4Å; M288-Q292 PolarHBondContact O-N 2.83Å; Q289-Q292 PolarHBondContact O-N 2.66Å; Q292-N294 PolarHBondContact O-N 3.27Å; Q292-N294 VanDerWaalsContact O-N 3.08Å; Q292-T295 WeakPolarHBondContact CA-OG1 3.41Å; Q292-T295 PolarHBondContact O-N 3.06Å; Q292-T295 VanDerWaalsContact O-N 3.1Å; Q292-T295 PolarHBondContact O-OG1 3.28Å; Q292-V296 HydrophobicContact CG-CG2 3.74Å; Q292-V296 PolarHBondContact O-N 2.94Å; Q292-Y297 PolarHBondContact O-N 3.06Å
293	Q	97.5	Very high	98.2	Very high	84 Å²	84	52 Å²	52	39%	0.393	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-24	178.2	74.6	-174.5	5.6	0	0	113.1	M67 Q289 L290 H291	M67-Q293 HydrophobicContact CE-CB 3.71Å; Q289-Q293 PolarHBondContact O-N 3.42Å; L290-Q293 WeakPolarHBondContact O-CG 3.48Å; H291-Q293 PolarHBondContact O-N 3.42Å
294	N	97.8	Very high	98.2	Very high	129 Å²	129	47.5 Å²	47.5	69%	0.69	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	3.8	-177.8	-70.1	-63.5	0	0	0	113.7	L290 H291 Q292	L290-N294 PolarHBondContact O-ND2 3.14Å; H291-N294 PolarHBondContact O-N 2.93Å; Q292-N294 PolarHBondContact O-N 3.27Å; Q292-N294 VanDerWaalsContact O-N 3.08Å
295	T	97.8	Very high	98.2	Very high	75 Å²	75	47 Å²	47	46%	0.46	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-76.3	178.7	47.8	0	0	0	0	111.2	H291 Q292	H291-T295 PolarHBondContact O-N 3.24Å; H291-T295 PolarHBondContact O-OG1 2.91Å; Q292-T295 WeakPolarHBondContact CA-OG1 3.41Å; Q292-T295 PolarHBondContact O-N 3.06Å; Q292-T295 VanDerWaalsContact O-N 3.1Å; Q292-T295 PolarHBondContact O-OG1 3.28Å
296	V	97.4	Very high	98.2	Very high	75 Å²	75	47 Å²	47	46%	0.455	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-12.4	-179.9	-62.5	0	0	0	0	113.2	V118 Q292 T298	V118-V296 HydrophobicContact CG2-CG1 4.4Å; V118-V296 HydrophobicContact CG2-CG2 4.4Å; Q292-V296 HydrophobicContact CG-CG2 3.74Å; Q292-V296 PolarHBondContact O-N 2.94Å; V296-T298 PolarHBondContact O-N 3.21Å
297	Y	97.8	Very high	98.2	Very high	133 Å²	133	41.6 Å²	41.6	52%	0.522	22%	0.224	S	C	.	.			trans	61.8	-57.9	-174.8	-177.2	-98.9	0	0	0	114.5	S66 Q292	S66-Y297 CarbonylContact C-O 3.56Å; S66-Y297 VanDerWaalsContact CA-O 3.24Å; S66-Y297 WeakPolarHBondContact CA-O 3.3Å; S66-Y297 WeakPolarHBondContact CB-O 3.08Å; Q292-Y297 PolarHBondContact O-N 3.06Å
298	T	97.6	Very high	98.2	Very high	21 Å²	21	40.1 Å²	40.1	13%	0.129	21%	0.212	C	C	.	.	S	Bend	trans	-141.3	156.7	178.1	-171.7	0	0	0	0	111.8	Y63 V296	Y63-T298 HydrophobicContact CD1-CG2 3.76Å; Y63-T298 HydrophobicContact CE1-CG2 4.26Å; V296-T298 PolarHBondContact O-N 3.21Å
299	C	98.4	Very high	98.2	Very high	4 Å²	4	43 Å²	43	3%	0.027	22%	0.223	C	C	.	.			trans	-88.9	164.3	169.3	-66.2	0	0	0	0	111.6	I116 T117 L275 T301 Q304	I116-C299 HydrophobicContact CG2-CB 4.21Å; T117-C299 VanDerWaalsContact CA-SG 3.57Å; L275-C299 HydrophobicContact CD1-CB 4.1Å; C299-T301 PolarHBondContact O-N 2.97Å; C299-Q304 VanDerWaalsContact C-NE2 3.33Å; C299-Q304 HydrophobicContact CB-CG 4.42Å; C299-Q304 PolarHBondContact O-NE2 3.44Å
300	P	98.2	Very high	98.2	Very high	67 Å²	67	41.5 Å²	41.5	44%	0.435	22%	0.216	S	C	.	.			trans	-61.7	121.7	180	-24.4	34.9	0	0	0	113.1	L303 Q304	P300-L303 HydrophobicContact CB-CB 4.41Å; P300-L303 HydrophobicContact CB-CD1 4.19Å; P300-L303 HydrophobicContact CB-CG 4.34Å; P300-L303 HydrophobicContact CG-CD1 4.36Å; P300-Q304 WeakPolarHBondContact O-CG 3.08Å; P300-Q304 PolarHBondContact O-N 2.74Å; P300-Q304 PolarHBondContact O-NE2 3.44Å
301	T	98.7	Very high	98.2	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.049	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-47.1	-177.8	-51.9	0	0	0	0	113.6	L60 Q62 T64 C299 L303 Q304 E305	L60-T301 HydrophobicContact CD2-CG2 4.43Å; L60-T301 WeakPolarHBondContact O-CB 3.24Å; L60-T301 WeakPolarHBondContact O-CG2 3.48Å; Q62-T301 VanDerWaalsContact O-CB 3.31Å; Q62-T301 WeakPolarHBondContact O-CB 3.36Å; Q62-T301 PolarHBondContact O-OG1 3.33Å; T64-T301 WeakPolarHBondContact CB-OG1 3.25Å; T64-T301 HydrophobicContact CG2-CG2 4.24Å; T64-T301 WeakPolarHBondContact CG2-OG1 3.4Å; T64-T301 PolarHBondContact N-OG1 2.56Å; C299-T301 PolarHBondContact O-N 2.97Å; T301-L303 PolarHBondContact O-N 3.05Å; T301-Q304 PolarHBondContact O-N 2.84Å; T301-E305 PolarHBondContact O-N 3.17Å
302	P	98.2	Very high	98.2	Very high	34 Å²	34	38.6 Å²	38.6	22%	0.221	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-43.4	-177.7	-23.6	33	0	0	0	112.8	L51 L60 Q304 E305 A306	L51-P302 HydrophobicContact CD1-CB 3.78Å; L51-P302 WeakPolarHBondContact CD1-O 3.5Å; L60-P302 WeakPolarHBondContact O-CD 3.42Å; L60-P302 WeakPolarHBondContact O-CG 3.45Å; P302-Q304 VanDerWaalsContact C-N 3.3Å; P302-Q304 PolarHBondContact O-N 2.85Å; P302-E305 PolarHBondContact O-N 2.68Å; P302-A306 PolarHBondContact O-N 3.49Å
303	L	98.2	Very high	98.2	Very high	41 Å²	41	41.6 Å²	41.6	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-37.3	179.2	-63.2	179.6	0	0	0	111.6	L48 W273 P300 T301 A306 V307	L48-L303 HydrophobicContact CD1-CD2 3.86Å; L48-L303 HydrophobicContact CD2-CD2 4.49Å; W273-L303 HydrophobicContact CD2-CD2 4.35Å; W273-L303 HydrophobicContact CG-CD2 4.32Å; W273-L303 WeakPolarHBondContact O-CD1 3.26Å; P300-L303 HydrophobicContact CB-CB 4.41Å; P300-L303 HydrophobicContact CB-CD1 4.19Å; P300-L303 HydrophobicContact CB-CG 4.34Å; P300-L303 HydrophobicContact CG-CD1 4.36Å; T301-L303 PolarHBondContact O-N 3.05Å; L303-A306 PolarHBondContact O-N 2.85Å; L303-V307 WeakPolarHBondContact O-CG2 3.38Å; L303-V307 PolarHBondContact O-N 2.96Å
304	Q	98.8	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-41.3	174.9	-70.4	179.5	85.8	0	0	112.4	H69 L72 I116 L275 C299 P300 T301 P302 V307 A308	H69-Q304 HydrophobicContact CB-CB 3.58Å; H69-Q304 HydrophobicContact CB-CG 4.27Å; L72-Q304 HydrophobicContact CD2-CB 3.78Å; L72-Q304 HydrophobicContact CD2-CG 3.82Å; I116-Q304 HydrophobicContact CG2-CG 4.05Å; L275-Q304 HydrophobicContact CD1-CG 3.68Å; L275-Q304 HydrophobicContact CD2-CB 4.39Å; L275-Q304 HydrophobicContact CD2-CG 3.87Å; L275-Q304 HydrophobicContact CG-CG 4.39Å; C299-Q304 VanDerWaalsContact C-NE2 3.33Å; C299-Q304 HydrophobicContact CB-CG 4.42Å; C299-Q304 PolarHBondContact O-NE2 3.44Å; P300-Q304 WeakPolarHBondContact O-CG 3.08Å; P300-Q304 PolarHBondContact O-N 2.74Å; P300-Q304 PolarHBondContact O-NE2 3.44Å; T301-Q304 PolarHBondContact O-N 2.84Å; P302-Q304 VanDerWaalsContact C-N 3.3Å; P302-Q304 PolarHBondContact O-N 2.85Å; Q304-V307 PolarHBondContact O-N 3.09Å; Q304-A308 WeakPolarHBondContact O-CB 3.23Å; Q304-A308 PolarHBondContact O-N 3.19Å
305	E	98.7	Very high	98.1	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-42.7	176	177	65.3	-178.1	0	0	111.7	L51 L60 H69 R71 T301 P302 V307 A308 R309	L51-E305 HydrophobicContact CD1-CB 4.18Å; L51-E305 HydrophobicContact CD1-CG 4.32Å; L51-E305 HydrophobicContact CD2-CB 4.35Å; L51-E305 HydrophobicContact CD2-CG 3.68Å; L60-E305 HydrophobicContact CD1-CG 4.18Å; L60-E305 HydrophobicContact CD2-CB 4.18Å; L60-E305 HydrophobicContact CD2-CG 3.94Å; H69-E305 IonicContact CD2-OE2 2.83Å; H69-E305 IonicContact NE2-OE2 3.65Å; H69-E305 PolarHBondContact NE2-OE2 2.79Å; H69-E305 VanDerWaalsContact NE2-OE2 3.11Å; R71-E305 WeakPolarHBondContact CD-OE2 3.49Å; R71-E305 IonicContact CZ-OE1 2.7Å; R71-E305 IonicContact NH1-OE1 2.67Å; R71-E305 PolarHBondContact NH1-OE1 3.04Å; R71-E305 IonicContact NH1-OE2 3.42Å; T301-E305 PolarHBondContact O-N 3.17Å; P302-E305 PolarHBondContact O-N 2.68Å; E305-V307 PolarHBondContact O-N 3.36Å; E305-A308 PolarHBondContact O-N 3.28Å; E305-R309 WeakPolarHBondContact O-CG 3.44Å; E305-R309 PolarHBondContact O-N 2.96Å; E305-R309 IonicContact OE1-CZ 2.68Å; E305-R309 IonicContact OE1-NE 3.17Å; E305-R309 PolarHBondContact OE1-NE 3.17Å; E305-R309 IonicContact OE1-NH2 3.73Å; E305-R309 PolarHBondContact OE1-NH2 3.35Å
306	A	98.6	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-44	176.7	0	0	0	0	0	112	S47 L48 L51 W273 P302 L303 S310	S47-A306 VanDerWaalsContact CB-O 3.3Å; S47-A306 WeakPolarHBondContact CB-O 3.27Å; S47-A306 WeakPolarHBondContact O-CB 3.39Å; L48-A306 HydrophobicContact CB-CB 4.02Å; L48-A306 HydrophobicContact CD1-CB 4.16Å; L51-A306 HydrophobicContact CD1-CB 4.11Å; W273-A306 HydrophobicContact CH2-CB 3.82Å; W273-A306 HydrophobicContact CZ3-CB 3.79Å; P302-A306 PolarHBondContact O-N 3.49Å; L303-A306 PolarHBondContact O-N 2.85Å; A306-S310 PolarHBondContact O-N 3.26Å; A306-S310 PolarHBondContact O-OG 2.7Å
307	V	98.7	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-40.8	175.6	174.4	0	0	0	0	111.1	L72 A264 F268 W273 L275 W277 L303 Q304 E305 R309 S310 L311	L72-V307 HydrophobicContact CD1-CB 4.23Å; L72-V307 HydrophobicContact CD1-CG1 3.71Å; A264-V307 HydrophobicContact CB-CG1 4.02Å; A264-V307 HydrophobicContact CB-CG2 3.67Å; F268-V307 HydrophobicContact CE2-CG1 4.23Å; W273-V307 HydrophobicContact CE3-CG2 3.53Å; W273-V307 HydrophobicContact CZ3-CG2 3.6Å; L275-V307 HydrophobicContact CD2-CB 3.88Å; L275-V307 HydrophobicContact CD2-CG1 4.25Å; L275-V307 HydrophobicContact CD2-CG2 3.65Å; W277-V307 HydrophobicContact CZ3-CG1 4.2Å; L303-V307 WeakPolarHBondContact O-CG2 3.38Å; L303-V307 PolarHBondContact O-N 2.96Å; Q304-V307 PolarHBondContact O-N 3.09Å; E305-V307 PolarHBondContact O-N 3.36Å; V307-R309 PolarHBondContact O-N 2.72Å; V307-S310 PolarHBondContact O-N 3.26Å; V307-L311 HydrophobicContact CG1-CD1 3.81Å; V307-L311 HydrophobicContact CG1-CG 4.23Å; V307-L311 WeakPolarHBondContact O-CB 3.42Å; V307-L311 VanDerWaalsContact O-CG 3.31Å; V307-L311 WeakPolarHBondContact O-CG 3.34Å; V307-L311 PolarHBondContact O-N 3.33Å
308	A	98.8	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-48	178.8	0	0	0	0	0	111.5	R71 L72 V75 Q304 E305 S310 L311 E312	R71-A308 HydrophobicContact CB-CB 4.12Å; R71-A308 HydrophobicContact CG-CB 3.89Å; L72-A308 HydrophobicContact CB-CB 3.97Å; L72-A308 HydrophobicContact CD1-CB 4.17Å; V75-A308 HydrophobicContact CG1-CB 4.28Å; Q304-A308 WeakPolarHBondContact O-CB 3.23Å; Q304-A308 PolarHBondContact O-N 3.19Å; E305-A308 PolarHBondContact O-N 3.28Å; A308-S310 PolarHBondContact O-N 3.47Å; A308-L311 PolarHBondContact O-N 2.84Å; A308-E312 WeakPolarHBondContact O-CG 3.11Å; A308-E312 PolarHBondContact O-N 3.21Å
309	R	98.4	Very high	97.2	Very high	60 Å²	60	35 Å²	35	23%	0.226	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-43.7	177.1	-69.7	172.6	179.1	-99.9	-2.5	112.5	M50 R71 E305 V307 L311 E312 I313	M50-R309 WeakPolarHBondContact SD-CD 3.29Å; M50-R309 VanDerWaalsContact SD-CZ 3.6Å; M50-R309 PolarHBondContact SD-NH1 3.09Å; R71-R309 VanDerWaalsContact NH1-NH2 3.18Å; E305-R309 WeakPolarHBondContact O-CG 3.44Å; E305-R309 PolarHBondContact O-N 2.96Å; E305-R309 IonicContact OE1-CZ 2.68Å; E305-R309 IonicContact OE1-NE 3.17Å; E305-R309 PolarHBondContact OE1-NE 3.17Å; E305-R309 IonicContact OE1-NH2 3.73Å; E305-R309 PolarHBondContact OE1-NH2 3.35Å; V307-R309 PolarHBondContact O-N 2.72Å; R309-L311 VanDerWaalsContact C-N 3.31Å; R309-L311 PolarHBondContact O-N 3.3Å; R309-E312 PolarHBondContact O-N 3.18Å; R309-I313 WeakPolarHBondContact O-CG1 3.5Å; R309-I313 PolarHBondContact O-N 3.37Å; R309-I313 VanDerWaalsContact O-N 3.07Å
310	S	98.4	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-43	177.2	-53.7	0	0	0	0	111	S47 A306 V307 A308 I313 E314	S47-S310 WeakPolarHBondContact CB-OG 3.26Å; S47-S310 PolarHBondContact OG-OG 3.16Å; A306-S310 PolarHBondContact O-N 3.26Å; A306-S310 PolarHBondContact O-OG 2.7Å; V307-S310 PolarHBondContact O-N 3.26Å; A308-S310 PolarHBondContact O-N 3.47Å; S310-I313 PolarHBondContact O-N 3.27Å; S310-E314 WeakPolarHBondContact O-CG 3.28Å; S310-E314 PolarHBondContact O-N 3.21Å
311	L	98.3	Very high	96.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-36.5	176.3	-70.1	169.5	0	0	0	112.7	L72 V75 L76 L79 F268 V307 A308 R309 I313 E314 L315 F325	L72-L311 HydrophobicContact CD1-CD1 3.72Å; V75-L311 HydrophobicContact CG1-CB 3.85Å; V75-L311 HydrophobicContact CG1-CD1 3.95Å; V75-L311 HydrophobicContact CG2-CB 3.83Å; L76-L311 HydrophobicContact CD2-CD1 3.65Å; L76-L311 HydrophobicContact CG-CD1 4.07Å; L79-L311 HydrophobicContact CD2-CD2 3.78Å; F268-L311 HydrophobicContact CE2-CD2 3.66Å; F268-L311 HydrophobicContact CE2-CG 3.82Å; F268-L311 HydrophobicContact CZ-CD2 3.54Å; F268-L311 HydrophobicContact CZ-CG 3.81Å; V307-L311 HydrophobicContact CG1-CD1 3.81Å; V307-L311 HydrophobicContact CG1-CG 4.23Å; V307-L311 WeakPolarHBondContact O-CB 3.42Å; V307-L311 VanDerWaalsContact O-CG 3.31Å; V307-L311 WeakPolarHBondContact O-CG 3.34Å; V307-L311 PolarHBondContact O-N 3.33Å; A308-L311 PolarHBondContact O-N 2.84Å; R309-L311 VanDerWaalsContact C-N 3.31Å; R309-L311 PolarHBondContact O-N 3.3Å; L311-I313 VanDerWaalsContact C-N 3.34Å; L311-E314 PolarHBondContact O-N 3.27Å; L311-L315 WeakPolarHBondContact O-CB 3.43Å; L311-L315 PolarHBondContact O-N 3.09Å; L311-F325 HydrophobicContact CD2-CZ 4.19Å
312	E	98.3	Very high	96.2	Very high	68 Å²	68	46.1 Å²	46.1	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-64.3	-40.2	176.9	-74.7	169.4	178.4	0	0	111.8	R71 V75 A308 R309 S316	R71-E312 VanDerWaalsContact CG-OE1 3.27Å; R71-E312 WeakPolarHBondContact CG-OE1 3.42Å; R71-E312 IonicContact CZ-OE1 3.27Å; R71-E312 IonicContact CZ-OE2 2.7Å; R71-E312 VanDerWaalsContact CZ-OE2 3.27Å; R71-E312 VanDerWaalsContact NE-CD 3.31Å; R71-E312 IonicContact NE-OE1 3.12Å; R71-E312 PolarHBondContact NE-OE1 2.9Å; R71-E312 IonicContact NE-OE2 3.88Å; R71-E312 PolarHBondContact NE-OE2 2.94Å; R71-E312 VanDerWaalsContact NE-OE2 3.12Å; R71-E312 IonicContact NH2-OE1 2.66Å; R71-E312 IonicContact NH2-OE2 2.81Å; R71-E312 PolarHBondContact NH2-OE2 3.04Å; V75-E312 HydrophobicContact CB-CG 4.09Å; V75-E312 HydrophobicContact CG2-CB 4.49Å; V75-E312 HydrophobicContact CG2-CG 3.72Å; A308-E312 WeakPolarHBondContact O-CG 3.11Å; A308-E312 PolarHBondContact O-N 3.21Å; R309-E312 PolarHBondContact O-N 3.18Å; E312-S316 PolarHBondContact O-N 3.08Å
313	I	97.8	Very high	96.1	Very high	66 Å²	66	44.5 Å²	44.5	34%	0.338	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-53.5	173.6	-66.7	168.3	0	0	0	109.5	H43 R309 S310 L311 L315 S316 L317	H43-I313 HydrophobicContact CB-CD1 4.05Å; R309-I313 WeakPolarHBondContact O-CG1 3.5Å; R309-I313 PolarHBondContact O-N 3.37Å; R309-I313 VanDerWaalsContact O-N 3.07Å; S310-I313 PolarHBondContact O-N 3.27Å; L311-I313 VanDerWaalsContact C-N 3.34Å; I313-L315 VanDerWaalsContact C-N 3.31Å; I313-L315 PolarHBondContact O-N 3.06Å; I313-S316 WeakPolarHBondContact O-CB 3.38Å; I313-S316 PolarHBondContact O-N 3.07Å; I313-S316 VanDerWaalsContact O-N 3.1Å; I313-S316 PolarHBondContact O-OG 2.83Å; I313-L317 HydrophobicContact CG2-CD1 4.04Å; I313-L317 PolarHBondContact O-N 3.17Å
314	E	97.3	Very high	95.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-36.4	-179	-75.2	-59.9	135.4	0	0	113.2	H43 F268 S310 L311 S316 L317 M318 S323 Y324 F325	H43-E314 IonicContact CE1-OE1 3.3Å; H43-E314 PolarHBondContact CE1-OE1 3.44Å; H43-E314 IonicContact NE2-OE1 3.8Å; F268-E314 HydrophobicContact CE1-CG 3.85Å; F268-E314 HydrophobicContact CZ-CG 4.43Å; S310-E314 WeakPolarHBondContact O-CG 3.28Å; S310-E314 PolarHBondContact O-N 3.21Å; L311-E314 PolarHBondContact O-N 3.27Å; E314-S316 PolarHBondContact O-N 2.92Å; E314-L317 CarbonylContact O-C 3.48Å; E314-L317 PolarHBondContact O-N 3.09Å; E314-M318 WeakPolarHBondContact O-CA 3.28Å; E314-M318 PolarHBondContact O-N 2.7Å; E314-S323 VanDerWaalsContact OE2-CA 3.23Å; E314-S323 WeakPolarHBondContact OE2-CA 3.34Å; E314-S323 WeakPolarHBondContact OE2-CB 3.41Å; E314-S323 PolarHBondContact OE2-OG 2.93Å; E314-Y324 VanDerWaalsContact CD-N 3.25Å; E314-Y324 VanDerWaalsContact OE1-CB 3.31Å; E314-Y324 WeakPolarHBondContact OE1-CB 3.38Å; E314-Y324 PolarHBondContact OE1-N 2.53Å; E314-Y324 VanDerWaalsContact OE1-N 3.08Å; E314-Y324 PolarHBondContact OE2-N 2.98Å; E314-F325 HydrophobicContact CB-CE1 4.3Å; E314-F325 HydrophobicContact CB-CE2 3.89Å; E314-F325 HydrophobicContact CB-CZ 3.71Å; E314-F325 HydrophobicContact CG-CE1 4.06Å; E314-F325 HydrophobicContact CG-CE2 4.49Å; E314-F325 HydrophobicContact CG-CZ 3.97Å
315	L	96.3	Very high	95.6	Very high	59 Å²	59	43.3 Å²	43.3	31%	0.309	22%	0.222	S	C	.	.	H	α-helix	trans	-59.4	-35.8	176.4	-178.2	61.4	0	0	0	111.7	V75 K78 L79 L311 I313 L317 M318	V75-L315 HydrophobicContact CG2-CD2 4.17Å; K78-L315 HydrophobicContact CB-CD2 4.06Å; L79-L315 HydrophobicContact CD1-CD1 4.39Å; L311-L315 WeakPolarHBondContact O-CB 3.43Å; L311-L315 PolarHBondContact O-N 3.09Å; I313-L315 VanDerWaalsContact C-N 3.31Å; I313-L315 PolarHBondContact O-N 3.06Å; L315-L317 VanDerWaalsContact C-N 3.3Å; L315-M318 HydrophobicContact CD1-CE 3.41Å; L315-M318 VanDerWaalsContact CD1-CE 3.41Å
316	S	96.3	Very high	95.3	Very high	93 Å²	93	46.4 Å²	46.4	65%	0.65	24%	0.239	S	C	*	.	H	α-helix	trans	-72.9	-21.9	175.5	76.9	0	0	0	0	113.8	E312 I313 E314	E312-S316 PolarHBondContact O-N 3.08Å; I313-S316 WeakPolarHBondContact O-CB 3.38Å; I313-S316 PolarHBondContact O-N 3.07Å; I313-S316 VanDerWaalsContact O-N 3.1Å; I313-S316 PolarHBondContact O-OG 2.83Å; E314-S316 PolarHBondContact O-N 2.92Å
317	L	96.1	Very high	94.9	Very high	39 Å²	39	50.2 Å²	50.2	20%	0.204	26%	0.257	C	S	.	.	H	α-helix	trans	-105.1	-6.7	-175.5	-60.3	176.6	0	0	0	113.4	I313 E314 L315 N319 T320 S323	I313-L317 HydrophobicContact CG2-CD1 4.04Å; I313-L317 PolarHBondContact O-N 3.17Å; E314-L317 CarbonylContact O-C 3.48Å; E314-L317 PolarHBondContact O-N 3.09Å; L315-L317 VanDerWaalsContact C-N 3.3Å; L317-N319 PolarHBondContact O-N 2.81Å; L317-T320 WeakPolarHBondContact O-CA 3.22Å; L317-T320 WeakPolarHBondContact O-CB 3.43Å; L317-T320 PolarHBondContact O-N 3.46Å; L317-T320 PolarHBondContact O-OG1 2.7Å; L317-S323 WeakPolarHBondContact O-CB 3.43Å
318	M	90.9	Very high	94.5	Very high	27 Å²	27	50.3 Å²	50.3	13%	0.133	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-33.3	-163	-171.1	-175.1	-59.8	0	0	115.7	L79 F83 E314 L315 N326	L79-M318 HydrophobicContact CD1-CE 3.11Å; L79-M318 HydrophobicContact CD1-SD 4.39Å; F83-M318 HydrophobicContact CE2-CE 4.31Å; F83-M318 HydrophobicContact CE2-SD 3.86Å; F83-M318 HydrophobicContact CZ-SD 3.67Å; E314-M318 WeakPolarHBondContact O-CA 3.28Å; E314-M318 PolarHBondContact O-N 2.7Å; L315-M318 HydrophobicContact CD1-CE 3.41Å; L315-M318 VanDerWaalsContact CD1-CE 3.41Å; M318-N326 PolarHBondContact O-ND2 3.39Å
319	N	88.4	Confident	94.2	Very high	159 Å²	159	51.3 Å²	51.3	85%	0.85	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	15.4	-179.8	-61.8	-46	0	0	0	113.4	L317	L317-N319 PolarHBondContact O-N 2.81Å
320	T	93.9	Very high	93.8	Very high	51 Å²	51	51.8 Å²	51.8	31%	0.313	28%	0.281	S	S	.	.	S	Bend	trans	-118.9	159.4	179.9	85.1	0	0	0	0	110.9	L317 E322 S323 N326	L317-T320 WeakPolarHBondContact O-CA 3.22Å; L317-T320 WeakPolarHBondContact O-CB 3.43Å; L317-T320 PolarHBondContact O-N 3.46Å; L317-T320 PolarHBondContact O-OG1 2.7Å; T320-E322 PolarHBondContact O-N 2.82Å; T320-E322 WeakPolarHBondContact OG1-CB 3.38Å; T320-E322 PolarHBondContact OG1-N 3.01Å; T320-S323 PolarHBondContact O-N 3.37Å; T320-N326 PolarHBondContact O-ND2 3.4Å
321	H	90	Very high	93.5	Very high	154 Å²	154	55.4 Å²	55.4	71%	0.713	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.4	173.9	64.2	-81.4	0	0	0	112.9
322	E	90.9	Very high	93.2	Very high	108 Å²	108	55.3 Å²	55.3	51%	0.505	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.6	179.1	-57.3	176.4	148.4	0	0	112.5	K41 T320 Y324	K41-E322 PolarHBondContact NZ-O 2.91Å; T320-E322 PolarHBondContact O-N 2.82Å; T320-E322 WeakPolarHBondContact OG1-CB 3.38Å; T320-E322 PolarHBondContact OG1-N 3.01Å; E322-Y324 PolarHBondContact O-N 3.43Å
323	S	94.9	Very high	93.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-62.4	132.3	171.2	170.7	0	0	0	0	110.1	E314 L317 T320 F325 N326 E327	E314-S323 VanDerWaalsContact OE2-CA 3.23Å; E314-S323 WeakPolarHBondContact OE2-CA 3.34Å; E314-S323 WeakPolarHBondContact OE2-CB 3.41Å; E314-S323 PolarHBondContact OE2-OG 2.93Å; L317-S323 WeakPolarHBondContact O-CB 3.43Å; T320-S323 PolarHBondContact O-N 3.37Å; S323-F325 PolarHBondContact O-N 3.31Å; S323-F325 PolarHBondContact OG-N 2.98Å; S323-F325 VanDerWaalsContact OG-N 3.15Å; S323-N326 PolarHBondContact O-N 3Å; S323-N326 VanDerWaalsContact O-N 3.17Å; S323-E327 WeakPolarHBondContact O-CB 3.48Å; S323-E327 PolarHBondContact O-N 3Å
324	Y	94.5	Very high	93	Very high	11 Å²	11	53.9 Å²	53.9	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-54.5	-33.9	170.6	-167.2	-120.9	0	0	0	112.8	K41 T267 F268 S269 E314 E322 N326 M328	K41-Y324 HydrophobicContact CB-CD2 3.91Å; K41-Y324 HydrophobicContact CB-CE2 4.22Å; K41-Y324 HydrophobicContact CB-CG 4.45Å; K41-Y324 HydrophobicContact CD-CD2 3.57Å; K41-Y324 HydrophobicContact CD-CG 4.11Å; K41-Y324 HydrophobicContact CG-CD2 3.58Å; K41-Y324 HydrophobicContact CG-CE2 4.04Å; K41-Y324 HydrophobicContact CG-CG 4.41Å; T267-Y324 WeakPolarHBondContact O-CD1 3.11Å; T267-Y324 WeakPolarHBondContact O-CE1 3.29Å; F268-Y324 HydrophobicContact CD1-CD1 4.21Å; S269-Y324 VanDerWaalsContact CB-OH 3.27Å; S269-Y324 WeakPolarHBondContact CB-OH 3.32Å; S269-Y324 PolarHBondContact OG-OH 3.32Å; E314-Y324 VanDerWaalsContact CD-N 3.25Å; E314-Y324 VanDerWaalsContact OE1-CB 3.31Å; E314-Y324 WeakPolarHBondContact OE1-CB 3.38Å; E314-Y324 PolarHBondContact OE1-N 2.53Å; E314-Y324 VanDerWaalsContact OE1-N 3.08Å; E314-Y324 PolarHBondContact OE2-N 2.98Å; E322-Y324 PolarHBondContact O-N 3.43Å; Y324-N326 VanDerWaalsContact C-N 3.29Å; Y324-N326 PolarHBondContact O-N 2.97Å; Y324-M328 HydrophobicContact CE1-SD 3.96Å; Y324-M328 HydrophobicContact CE2-CB 4.44Å; Y324-M328 WeakPolarHBondContact O-CB 3.34Å; Y324-M328 PolarHBondContact O-N 2.99Å
325	F	92.5	Very high	92.9	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.022	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-38	-179.8	-54.4	-21.4	0	0	0	111.5	W237 T267 F268 L311 E314 S323	W237-F325 HydrophobicContact CB-CB 4.29Å; W237-F325 HydrophobicContact CB-CD1 4.43Å; W237-F325 HydrophobicContact CB-CG 4.47Å; W237-F325 HydrophobicContact CD2-CB 4.06Å; W237-F325 HydrophobicContact CD2-CD1 4.1Å; W237-F325 AromaticContact CD2-CD2 3.81Å; W237-F325 HydrophobicContact CD2-CD2 3.81Å; W237-F325 HydrophobicContact CD2-CE2 4.27Å; W237-F325 AromaticContact CD2-CG 3.72Å; W237-F325 HydrophobicContact CD2-CG 3.72Å; W237-F325 HydrophobicContact CE3-CB 3.72Å; W237-F325 AromaticContact CE3-CD2 3.63Å; W237-F325 HydrophobicContact CE3-CD2 3.63Å; W237-F325 HydrophobicContact CE3-CE2 4.39Å; W237-F325 AromaticContact CE3-CG 3.71Å; W237-F325 HydrophobicContact CE3-CG 3.71Å; W237-F325 HydrophobicContact CG-CB 4.33Å; W237-F325 HydrophobicContact CG-CD1 4.03Å; W237-F325 HydrophobicContact CG-CG 4.06Å; W237-F325 AromaticContact CH2-CD2 3.95Å; W237-F325 HydrophobicContact CH2-CD2 3.95Å; W237-F325 HydrophobicContact CH2-CE2 4.07Å; W237-F325 HydrophobicContact CZ2-CD2 4.13Å; W237-F325 AromaticContact CZ2-CE2 3.95Å; W237-F325 HydrophobicContact CZ2-CE2 3.95Å; W237-F325 HydrophobicContact CZ2-CZ 4.5Å; W237-F325 HydrophobicContact CZ3-CB 4.42Å; W237-F325 AromaticContact CZ3-CD2 3.69Å; W237-F325 HydrophobicContact CZ3-CD2 3.69Å; W237-F325 HydrophobicContact CZ3-CE2 4.29Å; W237-F325 HydrophobicContact CZ3-CG 4.26Å; T267-F325 HydrophobicContact CG2-CD1 4.2Å; T267-F325 HydrophobicContact CG2-CE1 3.35Å; T267-F325 HydrophobicContact CG2-CZ 3.87Å; F268-F325 HydrophobicContact CE1-CE1 4.02Å; F268-F325 HydrophobicContact CE1-CZ 4.45Å; F268-F325 HydrophobicContact CZ-CE1 4.27Å; F268-F325 HydrophobicContact CZ-CZ 4.34Å; L311-F325 HydrophobicContact CD2-CZ 4.19Å; E314-F325 HydrophobicContact CB-CE1 4.3Å; E314-F325 HydrophobicContact CB-CE2 3.89Å; E314-F325 HydrophobicContact CB-CZ 3.71Å; E314-F325 HydrophobicContact CG-CE1 4.06Å; E314-F325 HydrophobicContact CG-CE2 4.49Å; E314-F325 HydrophobicContact CG-CZ 3.97Å; S323-F325 PolarHBondContact O-N 3.31Å; S323-F325 PolarHBondContact OG-N 2.98Å; S323-F325 VanDerWaalsContact OG-N 3.15Å
326	N	91.3	Very high	92.9	Very high	72 Å²	72	51.9 Å²	51.9	39%	0.385	29%	0.287	S	S	.	.	H	α-helix	trans	-80.7	-44.3	177.7	-64.3	-34.5	0	0	0	111.9	M318 T320 S323 Y324 M328 C329 A330	M318-N326 PolarHBondContact O-ND2 3.39Å; T320-N326 PolarHBondContact O-ND2 3.4Å; S323-N326 PolarHBondContact O-N 3Å; S323-N326 VanDerWaalsContact O-N 3.17Å; Y324-N326 VanDerWaalsContact C-N 3.29Å; Y324-N326 PolarHBondContact O-N 2.97Å; N326-M328 VanDerWaalsContact C-N 3.34Å; N326-M328 PolarHBondContact O-N 2.91Å; N326-C329 PolarHBondContact O-N 3.41Å; N326-A330 PolarHBondContact O-N 3.19Å
327	E	91.1	Very high	92.8	Very high	81 Å²	81	52.3 Å²	52.3	38%	0.379	27%	0.274	S	S	.	.	H	α-helix	trans	-61.4	-42	179.5	-177	-176.6	137.6	0	0	112.2	K41 S323 C329 A330 L331	K41-E327 VanDerWaalsContact CE-CD 3.48Å; K41-E327 WeakPolarHBondContact CE-OE2 3.19Å; K41-E327 IonicContact NZ-OE2 3.8Å; K41-E327 PolarHBondContact NZ-OE2 2.96Å; S323-E327 WeakPolarHBondContact O-CB 3.48Å; S323-E327 PolarHBondContact O-N 3Å; E327-C329 VanDerWaalsContact C-N 3.32Å; E327-C329 PolarHBondContact O-N 2.98Å; E327-A330 PolarHBondContact O-N 2.73Å; E327-A330 VanDerWaalsContact O-N 3.12Å; E327-L331 WeakPolarHBondContact O-CB 3.45Å; E327-L331 PolarHBondContact O-N 3.45Å
328	M	91.1	Very high	92.8	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-61.7	-41.7	-178.3	-174.2	-178.6	49.1	0	0	111.2	W237 L238 Y324 N326 L331 I332 F421	W237-M328 HydrophobicContact CB-CE 4Å; L238-M328 HydrophobicContact CD1-CE 4.38Å; L238-M328 HydrophobicContact CD1-SD 4.45Å; L238-M328 HydrophobicContact CD2-CB 4.49Å; L238-M328 HydrophobicContact CD2-CE 3.46Å; L238-M328 VanDerWaalsContact CD2-CE 3.46Å; L238-M328 HydrophobicContact CD2-CG 3.66Å; L238-M328 HydrophobicContact CD2-SD 3.74Å; L238-M328 HydrophobicContact CG-CE 3.69Å; L238-M328 HydrophobicContact CG-SD 4.26Å; Y324-M328 HydrophobicContact CE1-SD 3.96Å; Y324-M328 HydrophobicContact CE2-CB 4.44Å; Y324-M328 WeakPolarHBondContact O-CB 3.34Å; Y324-M328 PolarHBondContact O-N 2.99Å; N326-M328 VanDerWaalsContact C-N 3.34Å; N326-M328 PolarHBondContact O-N 2.91Å; M328-L331 PolarHBondContact O-N 3.19Å; M328-I332 HydrophobicContact CG-CD1 3.45Å; M328-I332 VanDerWaalsContact CG-CD1 3.45Å; M328-I332 HydrophobicContact CG-CG1 4.35Å; M328-I332 VanDerWaalsContact O-CB 3.28Å; M328-I332 WeakPolarHBondContact O-CB 3.45Å; M328-I332 VanDerWaalsContact O-CG1 3.24Å; M328-I332 WeakPolarHBondContact O-CG1 3.25Å; M328-I332 PolarHBondContact O-N 3.38Å; M328-I332 HydrophobicContact SD-CD1 4.23Å; M328-F421 HydrophobicContact CG-CZ 4.29Å; M328-F421 HydrophobicContact SD-CE1 4.26Å; M328-F421 HydrophobicContact SD-CZ 4.4Å
329	C	91.2	Very high	93.1	Very high	20 Å²	20	52.8 Å²	52.8	14%	0.135	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-47.8	172	-84.2	0	0	0	0	112	W237 V239 N326 E327 L331 I332 E333	W237-C329 PolarHBondContact O-SG 3.14Å; V239-C329 PolarHBondContact N-SG 2.86Å; V239-C329 VanDerWaalsContact N-SG 3.43Å; V239-C329 PolarHBondContact O-SG 3.06Å; N326-C329 PolarHBondContact O-N 3.41Å; E327-C329 VanDerWaalsContact C-N 3.32Å; E327-C329 PolarHBondContact O-N 2.98Å; C329-L331 VanDerWaalsContact C-N 3.26Å; C329-L331 PolarHBondContact O-N 3.3Å; C329-I332 PolarHBondContact O-N 3.09Å; C329-E333 VanDerWaalsContact O-CB 3.3Å; C329-E333 WeakPolarHBondContact O-CB 3.38Å; C329-E333 PolarHBondContact O-N 3.29Å
330	A	90.7	Very high	93.5	Very high	71 Å²	71	45.4 Å²	45.4	59%	0.587	24%	0.238	S	C	*	.	H	α-helix	trans	-62.6	-31.5	-179.6	0	0	0	0	0	113.1	N326 E327 P334	N326-A330 PolarHBondContact O-N 3.19Å; E327-A330 PolarHBondContact O-N 2.73Å; E327-A330 VanDerWaalsContact O-N 3.12Å; A330-P334 WeakPolarHBondContact O-CD 3.47Å; A330-P334 WeakPolarHBondContact O-CG 3.3Å
331	L	91	Very high	93.6	Very high	76 Å²	76	49 Å²	49	40%	0.398	25%	0.249	S	C	.	.	H	α-helix	trans	-77.3	-41.4	176.6	179.8	65.8	0	0	0	112.8	I38 E327 M328 C329	I38-L331 HydrophobicContact CD1-CD2 4.09Å; E327-L331 WeakPolarHBondContact O-CB 3.45Å; E327-L331 PolarHBondContact O-N 3.45Å; M328-L331 PolarHBondContact O-N 3.19Å; C329-L331 VanDerWaalsContact C-N 3.26Å; C329-L331 PolarHBondContact O-N 3.3Å
332	I	93.5	Very high	93.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-87.4	-35	-168.3	-68.9	174.4	0	0	0	112.2	L238 F240 M328 C329 K335 G336 F420 F421	L238-I332 HydrophobicContact CD1-CD1 4.5Å; L238-I332 HydrophobicContact CD2-CD1 3.66Å; F240-I332 HydrophobicContact CE1-CG2 4.25Å; F240-I332 HydrophobicContact CZ-CG2 3.93Å; M328-I332 HydrophobicContact CG-CD1 3.45Å; M328-I332 VanDerWaalsContact CG-CD1 3.45Å; M328-I332 HydrophobicContact CG-CG1 4.35Å; M328-I332 VanDerWaalsContact O-CB 3.28Å; M328-I332 WeakPolarHBondContact O-CB 3.45Å; M328-I332 VanDerWaalsContact O-CG1 3.24Å; M328-I332 WeakPolarHBondContact O-CG1 3.25Å; M328-I332 PolarHBondContact O-N 3.38Å; M328-I332 HydrophobicContact SD-CD1 4.23Å; C329-I332 PolarHBondContact O-N 3.09Å; I332-K335 WeakPolarHBondContact O-CB 3.44Å; I332-K335 PolarHBondContact O-N 2.92Å; I332-G336 PolarHBondContact O-N 3.18Å; I332-F420 HydrophobicContact CG2-CD2 3.82Å; I332-F420 HydrophobicContact CG2-CE2 3.29Å; I332-F420 HydrophobicContact CG2-CZ 4.2Å; I332-F420 WeakPolarHBondContact O-CE2 3.41Å; I332-F421 HydrophobicContact CD1-CB 4.37Å; I332-F421 HydrophobicContact CD1-CD1 3.73Å; I332-F421 HydrophobicContact CD1-CD2 3.51Å; I332-F421 HydrophobicContact CD1-CE1 3.59Å; I332-F421 HydrophobicContact CD1-CE2 3.4Å; I332-F421 HydrophobicContact CD1-CG 3.65Å; I332-F421 HydrophobicContact CD1-CZ 3.44Å; I332-F421 VanDerWaalsContact CD1-CZ 3.44Å; I332-F421 HydrophobicContact CG1-CD2 3.6Å; I332-F421 HydrophobicContact CG1-CE2 3.6Å; I332-F421 HydrophobicContact CG1-CG 4.14Å; I332-F421 HydrophobicContact CG1-CZ 4.15Å
333	E	95.3	Very high	94.1	Very high	34 Å²	34	37.9 Å²	37.9	16%	0.159	20%	0.197	C	C	.	.	H	α-helix	trans	-56.9	-48.4	-178.2	-164.6	-85	-176.9	0	0	112.8	F240 C329 K335 G336 R337	F240-E333 HydrophobicContact CB-CG 3.66Å; F240-E333 HydrophobicContact CD1-CB 3.46Å; F240-E333 VanDerWaalsContact CD1-CB 3.46Å; F240-E333 HydrophobicContact CD1-CG 3.49Å; F240-E333 VanDerWaalsContact CD1-CG 3.49Å; F240-E333 HydrophobicContact CD2-CG 4.14Å; F240-E333 HydrophobicContact CE1-CB 3.73Å; F240-E333 HydrophobicContact CE1-CG 4.16Å; F240-E333 HydrophobicContact CG-CB 4Å; F240-E333 HydrophobicContact CG-CG 3.48Å; F240-E333 VanDerWaalsContact CG-CG 3.48Å; F240-E333 HydrophobicContact CZ-CB 4.46Å; C329-E333 VanDerWaalsContact O-CB 3.3Å; C329-E333 WeakPolarHBondContact O-CB 3.38Å; C329-E333 PolarHBondContact O-N 3.29Å; E333-K335 VanDerWaalsContact C-N 3.28Å; E333-K335 PolarHBondContact O-N 3.21Å; E333-G336 WeakPolarHBondContact O-CA 3.3Å; E333-G336 PolarHBondContact O-N 3.31Å; E333-R337 PolarHBondContact O-N 3.37Å; E333-R337 IonicContact OE1-CZ 2.6Å; E333-R337 IonicContact OE1-NE 3.4Å; E333-R337 PolarHBondContact OE1-NE 2.71Å; E333-R337 IonicContact OE1-NH2 3.19Å; E333-R337 PolarHBondContact OE1-NH2 2.86Å; E333-R337 IonicContact OE2-NE 2.74Å; E333-R337 PolarHBondContact OE2-NE 3.32Å
334	P	95.6	Very high	94.1	Very high	69 Å²	69	41.3 Å²	41.3	45%	0.448	22%	0.215	S	C	.	.	H	α-helix	trans	-65.7	-32.5	-179.3	-22.7	36	0	0	0	112.4	A330 G336 R337 N338	A330-P334 WeakPolarHBondContact O-CD 3.47Å; A330-P334 WeakPolarHBondContact O-CG 3.3Å; P334-G336 VanDerWaalsContact C-N 3.34Å; P334-R337 PolarHBondContact O-N 3.29Å; P334-N338 VanDerWaalsContact O-CB 3.3Å; P334-N338 WeakPolarHBondContact O-CB 3.41Å; P334-N338 PolarHBondContact O-N 3.1Å
335	K	95.6	Very high	94.2	Very high	16 Å²	16	45.7 Å²	45.7	7%	0.07	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-43.1	173.8	-66.5	172.1	-179.9	-77.8	0	110.7	I332 E333 N338 M339 F420 K422 D424 L427	I332-K335 WeakPolarHBondContact O-CB 3.44Å; I332-K335 PolarHBondContact O-N 2.92Å; E333-K335 VanDerWaalsContact C-N 3.28Å; E333-K335 PolarHBondContact O-N 3.21Å; K335-N338 PolarHBondContact O-N 3.13Å; K335-M339 WeakPolarHBondContact O-CB 3.47Å; K335-M339 PolarHBondContact O-N 2.79Å; K335-F420 HydrophobicContact CB-CD2 4.34Å; K335-K422 PolarHBondContact NZ-O 2.76Å; K335-K422 VanDerWaalsContact NZ-O 3.17Å; K335-D424 IonicContact NZ-OD1 2.63Å; K335-D424 PolarHBondContact NZ-OD1 3.21Å; K335-D424 IonicContact NZ-OD2 2.97Å; K335-D424 PolarHBondContact NZ-OD2 3.18Å; K335-L427 HydrophobicContact CB-CD1 4.04Å; K335-L427 HydrophobicContact CD-CD1 4.43Å; K335-L427 HydrophobicContact CG-CD1 4.25Å
336	G	95.4	Very high	94.2	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-51.1	174.6	0	0	0	0	0	112.1	I332 E333 P334 N338 M339 V340 F420	I332-G336 PolarHBondContact O-N 3.18Å; E333-G336 WeakPolarHBondContact O-CA 3.3Å; E333-G336 PolarHBondContact O-N 3.31Å; P334-G336 VanDerWaalsContact C-N 3.34Å; G336-N338 PolarHBondContact O-N 2.98Å; G336-M339 PolarHBondContact O-N 3.3Å; G336-V340 WeakPolarHBondContact O-CG2 3.25Å; G336-V340 PolarHBondContact O-N 3.26Å; G336-F420 VanDerWaalsContact CA-CD2 3.45Å
337	R	95.6	Very high	94.4	Very high	101 Å²	101	44.6 Å²	44.6	38%	0.381	24%	0.237	S	C	.	.	H	α-helix	trans	-58.8	-46.2	176.6	-71.8	-166.8	-174.5	-96.8	-7.5	112.8	E333 P334 M339 V340 K341	E333-R337 PolarHBondContact O-N 3.37Å; E333-R337 IonicContact OE1-CZ 2.6Å; E333-R337 IonicContact OE1-NE 3.4Å; E333-R337 PolarHBondContact OE1-NE 2.71Å; E333-R337 IonicContact OE1-NH2 3.19Å; E333-R337 PolarHBondContact OE1-NH2 2.86Å; E333-R337 IonicContact OE2-NE 2.74Å; E333-R337 PolarHBondContact OE2-NE 3.32Å; P334-R337 PolarHBondContact O-N 3.29Å; R337-M339 VanDerWaalsContact C-N 3.29Å; R337-M339 PolarHBondContact O-N 3.04Å; R337-V340 PolarHBondContact O-N 3.06Å; R337-K341 PolarHBondContact O-N 2.67Å
338	N	96	Very high	94.5	Very high	62 Å²	62	40.9 Å²	40.9	33%	0.332	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-40.9	179.1	-174.1	39.4	0	0	0	111.1	P334 K335 G336 K341 K342	P334-N338 VanDerWaalsContact O-CB 3.3Å; P334-N338 WeakPolarHBondContact O-CB 3.41Å; P334-N338 PolarHBondContact O-N 3.1Å; K335-N338 PolarHBondContact O-N 3.13Å; G336-N338 PolarHBondContact O-N 2.98Å; N338-K341 PolarHBondContact O-N 2.85Å; N338-K342 WeakPolarHBondContact O-CB 3.3Å; N338-K342 VanDerWaalsContact O-CG 3.28Å; N338-K342 WeakPolarHBondContact O-CG 3.42Å; N338-K342 PolarHBondContact O-N 2.68Å
339	M	96.1	Very high	94.7	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.069	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-41.4	177.3	-169.9	168.2	-176.6	0	0	112.3	L31 K335 G336 R337 K341 K342 L343 L359 F418 F420 L427	L31-M339 HydrophobicContact CD1-CE 3.72Å; K335-M339 WeakPolarHBondContact O-CB 3.47Å; K335-M339 PolarHBondContact O-N 2.79Å; G336-M339 PolarHBondContact O-N 3.3Å; R337-M339 VanDerWaalsContact C-N 3.29Å; R337-M339 PolarHBondContact O-N 3.04Å; M339-K341 PolarHBondContact O-N 3.28Å; M339-K342 PolarHBondContact O-N 2.77Å; M339-L343 HydrophobicContact CE-CD1 4.15Å; M339-L343 HydrophobicContact CG-CD1 4.15Å; M339-L343 HydrophobicContact CG-CG 4.23Å; M339-L343 WeakPolarHBondContact O-CB 3.49Å; M339-L343 VanDerWaalsContact O-CG 3.3Å; M339-L343 WeakPolarHBondContact O-CG 3.17Å; M339-L343 PolarHBondContact O-N 3.16Å; M339-L359 HydrophobicContact CB-CD2 3.88Å; M339-L359 HydrophobicContact CG-CD2 3.82Å; M339-L359 HydrophobicContact SD-CD2 3.93Å; M339-F418 HydrophobicContact CE-CB 3.39Å; M339-F418 HydrophobicContact CE-CD1 3.59Å; M339-F418 HydrophobicContact CE-CG 3.61Å; M339-F418 HydrophobicContact SD-CB 4.29Å; M339-F420 HydrophobicContact CB-CB 4.48Å; M339-F420 HydrophobicContact SD-CB 3.6Å; M339-F420 VanDerWaalsContact SD-CB 3.6Å; M339-L427 HydrophobicContact SD-CD2 4.12Å
340	V	96.6	Very high	94.9	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-50.7	173.5	170.2	0	0	0	0	110.8	G336 R337 K342 L343 N344 A350 R352 L359	G336-V340 WeakPolarHBondContact O-CG2 3.25Å; G336-V340 PolarHBondContact O-N 3.26Å; R337-V340 PolarHBondContact O-N 3.06Å; V340-K342 VanDerWaalsContact C-N 3.34Å; V340-K342 PolarHBondContact O-N 3.23Å; V340-L343 PolarHBondContact O-N 3.33Å; V340-N344 WeakPolarHBondContact O-CB 3.26Å; V340-N344 PolarHBondContact O-N 3.03Å; V340-N344 PolarHBondContact O-ND2 3.46Å; V340-A350 HydrophobicContact CB-CB 4.31Å; V340-A350 HydrophobicContact CG1-CB 4Å; V340-A350 HydrophobicContact CG2-CB 4.42Å; V340-R352 HydrophobicContact CG1-CB 4.45Å; V340-R352 HydrophobicContact CG2-CB 3.98Å; V340-R352 HydrophobicContact CG2-CG 4.34Å; V340-L359 HydrophobicContact CG2-CD2 4.09Å
341	K	96.3	Very high	95.2	Very high	127 Å²	127	39.2 Å²	39.2	55%	0.552	20%	0.2	S	C	*	.	H	α-helix	trans	-55.1	-49.9	177	177.7	-179.3	172.2	-178.6	0	111.4	R337 N338 M339 L343 N344 E345	R337-K341 PolarHBondContact O-N 2.67Å; N338-K341 PolarHBondContact O-N 2.85Å; M339-K341 PolarHBondContact O-N 3.28Å; K341-L343 PolarHBondContact O-N 3.47Å; K341-N344 PolarHBondContact O-N 3.37Å; K341-E345 WeakPolarHBondContact CE-OE1 3.46Å; K341-E345 WeakPolarHBondContact O-CG 3.15Å; K341-E345 PolarHBondContact O-N 3.27Å
342	K	96.2	Very high	95.4	Very high	25 Å²	25	37 Å²	37	11%	0.109	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-43.2	-179.1	-81.2	178.1	170.4	-164.1	0	113.5	N338 M339 V340 E345 I346 N428 Y431	N338-K342 WeakPolarHBondContact O-CB 3.3Å; N338-K342 VanDerWaalsContact O-CG 3.28Å; N338-K342 WeakPolarHBondContact O-CG 3.42Å; N338-K342 PolarHBondContact O-N 2.68Å; M339-K342 PolarHBondContact O-N 2.77Å; V340-K342 VanDerWaalsContact C-N 3.34Å; V340-K342 PolarHBondContact O-N 3.23Å; K342-E345 PolarHBondContact O-N 2.83Å; K342-I346 WeakPolarHBondContact O-CD1 3.42Å; K342-I346 WeakPolarHBondContact O-CG1 3.49Å; K342-I346 PolarHBondContact O-N 3.23Å; K342-N428 PolarHBondContact NZ-OD1 3.39Å; K342-Y431 HydrophobicContact CB-CD2 3.4Å; K342-Y431 HydrophobicContact CB-CE2 3.6Å; K342-Y431 HydrophobicContact CB-CG 4.1Å; K342-Y431 HydrophobicContact CD-CD1 4.04Å; K342-Y431 HydrophobicContact CD-CD2 3.84Å; K342-Y431 HydrophobicContact CD-CE2 4.33Å; K342-Y431 HydrophobicContact CD-CG 3.64Å; K342-Y431 HydrophobicContact CG-CD1 4.3Å; K342-Y431 HydrophobicContact CG-CD2 3.59Å; K342-Y431 HydrophobicContact CG-CE1 4.37Å; K342-Y431 HydrophobicContact CG-CE2 3.65Å; K342-Y431 HydrophobicContact CG-CG 3.9Å; K342-Y431 WeakPolarHBondContact O-CE2 3.34Å
343	L	96	Very high	95.6	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-67.3	-38.6	176.9	-68.3	179.8	0	0	0	111.7	M339 V340 K341 E345 I346 G347 M348 A350 L359 A361 F418 L434	M339-L343 HydrophobicContact CE-CD1 4.15Å; M339-L343 HydrophobicContact CG-CD1 4.15Å; M339-L343 HydrophobicContact CG-CG 4.23Å; M339-L343 WeakPolarHBondContact O-CB 3.49Å; M339-L343 VanDerWaalsContact O-CG 3.3Å; M339-L343 WeakPolarHBondContact O-CG 3.17Å; M339-L343 PolarHBondContact O-N 3.16Å; V340-L343 PolarHBondContact O-N 3.33Å; K341-L343 PolarHBondContact O-N 3.47Å; L343-E345 VanDerWaalsContact C-N 3.34Å; L343-E345 PolarHBondContact O-N 3.18Å; L343-I346 PolarHBondContact O-N 3.05Å; L343-G347 PolarHBondContact O-N 2.84Å; L343-M348 HydrophobicContact CB-CB 4.27Å; L343-M348 HydrophobicContact CD2-SD 3.81Å; L343-M348 WeakPolarHBondContact O-CB 3.37Å; L343-M348 PolarHBondContact O-N 3.08Å; L343-M348 VanDerWaalsContact O-N 3.1Å; L343-A350 HydrophobicContact CB-CB 3.87Å; L343-A350 HydrophobicContact CD1-CB 4.22Å; L343-L359 HydrophobicContact CD1-CD1 3.48Å; L343-L359 VanDerWaalsContact CD1-CD1 3.48Å; L343-A361 HydrophobicContact CD1-CB 4.02Å; L343-F418 HydrophobicContact CD1-CD2 3.94Å; L343-F418 HydrophobicContact CD1-CE2 4.08Å; L343-F418 HydrophobicContact CD1-CG 4.39Å; L343-F418 HydrophobicContact CD2-CZ 4.34Å; L343-L434 HydrophobicContact CD2-CD1 4.35Å
344	N	95.2	Very high	95.7	Very high	71 Å²	71	35.5 Å²	35.5	38%	0.38	18%	0.179	S	C	.	.	H	α-helix	trans	-62	-39.8	173.9	-73.9	-27.5	0	0	0	112.3	V340 K341 I346 G347 M348 A350	V340-N344 WeakPolarHBondContact O-CB 3.26Å; V340-N344 PolarHBondContact O-N 3.03Å; V340-N344 PolarHBondContact O-ND2 3.46Å; K341-N344 PolarHBondContact O-N 3.37Å; N344-I346 VanDerWaalsContact C-N 3.26Å; N344-I346 PolarHBondContact O-N 2.85Å; N344-G347 PolarHBondContact O-N 2.86Å; N344-M348 WeakPolarHBondContact CA-O 3.46Å; N344-M348 PolarHBondContact OD1-O 3.21Å; N344-M348 VanDerWaalsContact OD1-O 3.08Å; N344-A350 PolarHBondContact OD1-N 3.42Å
345	E	95.2	Very high	95.8	Very high	104 Å²	104	32.2 Å²	32.2	49%	0.486	16%	0.158	S	C	.	.	H	α-helix	trans	-62	-30.9	175.4	-73.5	172	-172.7	0	0	113.4	K341 K342 L343 G347 Y431	K341-E345 WeakPolarHBondContact CE-OE1 3.46Å; K341-E345 WeakPolarHBondContact O-CG 3.15Å; K341-E345 PolarHBondContact O-N 3.27Å; K342-E345 PolarHBondContact O-N 2.83Å; L343-E345 VanDerWaalsContact C-N 3.34Å; L343-E345 PolarHBondContact O-N 3.18Å; E345-G347 VanDerWaalsContact C-N 3.27Å; E345-Y431 PolarHBondContact OE2-OH 2.94Å
346	I	94	Very high	95.8	Very high	25 Å²	25	31.5 Å²	31.5	13%	0.128	16%	0.156	C	C	.	.	H	α-helix	trans	-79.1	-13.4	176.8	-64.9	155.3	0	0	0	111.6	K342 L343 N344 L366 Y431 L434 W437	K342-I346 WeakPolarHBondContact O-CD1 3.42Å; K342-I346 WeakPolarHBondContact O-CG1 3.49Å; K342-I346 PolarHBondContact O-N 3.23Å; L343-I346 PolarHBondContact O-N 3.05Å; N344-I346 VanDerWaalsContact C-N 3.26Å; N344-I346 PolarHBondContact O-N 2.85Å; I346-L366 WeakPolarHBondContact O-CD2 3.48Å; I346-Y431 HydrophobicContact CD1-CD2 3.63Å; I346-Y431 HydrophobicContact CD1-CE2 3.89Å; I346-Y431 HydrophobicContact CG1-CD2 4.39Å; I346-Y431 HydrophobicContact CG1-CE2 4.16Å; I346-L434 HydrophobicContact CD1-CB 3.5Å; I346-L434 VanDerWaalsContact CD1-CB 3.5Å; I346-L434 HydrophobicContact CD1-CD1 4.45Å; I346-L434 HydrophobicContact CG1-CB 4.47Å; I346-W437 HydrophobicContact CG2-CE3 4.41Å
347	G	93.6	Very high	95.8	Very high	29 Å²	29	31.6 Å²	31.6	30%	0.299	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	8.5	-179.2	0	0	0	0	0	114.6	L343 N344 E345	L343-G347 PolarHBondContact O-N 2.84Å; N344-G347 PolarHBondContact O-N 2.86Å; E345-G347 VanDerWaalsContact C-N 3.27Å
348	M	94.8	Very high	95.9	Very high	3 Å²	3	27 Å²	27	2%	0.015	14%	0.138	C	C	.	.			trans	-74	157	162.1	-58.9	-173.7	-176.7	0	0	109.6	L343 N344 A361 D362 I363 L366 F418	L343-M348 HydrophobicContact CB-CB 4.27Å; L343-M348 HydrophobicContact CD2-SD 3.81Å; L343-M348 WeakPolarHBondContact O-CB 3.37Å; L343-M348 PolarHBondContact O-N 3.08Å; L343-M348 VanDerWaalsContact O-N 3.1Å; N344-M348 WeakPolarHBondContact CA-O 3.46Å; N344-M348 PolarHBondContact OD1-O 3.21Å; N344-M348 VanDerWaalsContact OD1-O 3.08Å; M348-A361 HydrophobicContact CB-CB 3.99Å; M348-A361 HydrophobicContact SD-CB 4.12Å; M348-D362 CarbonylContact C-O 3.58Å; M348-D362 VanDerWaalsContact CA-O 3.3Å; M348-D362 WeakPolarHBondContact CA-O 3.48Å; M348-I363 HydrophobicContact CE-CG2 4.19Å; M348-I363 HydrophobicContact CG-CG2 4.27Å; M348-I363 HydrophobicContact SD-CG2 4.09Å; M348-L366 HydrophobicContact CE-CD1 3.63Å; M348-L366 HydrophobicContact CG-CD1 3.43Å; M348-L366 VanDerWaalsContact CG-CD1 3.43Å; M348-L366 HydrophobicContact CG-CG 4.39Å; M348-L366 HydrophobicContact SD-CD1 4.37Å; M348-F418 HydrophobicContact CE-CZ 4.22Å; M348-F418 HydrophobicContact SD-CE2 4.09Å; M348-F418 HydrophobicContact SD-CZ 3.93Å
349	I	94.4	Very high	96	Very high	52 Å²	52	24 Å²	24	27%	0.267	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	92.5	171.3	-46.6	169.5	0	0	0	107.5	L174 A361 D362 K365	L174-I349 HydrophobicContact CD1-CG2 3.67Å; I349-A361 WeakPolarHBondContact O-CA 3.24Å; I349-D362 HydrophobicContact CB-CB 3.84Å; I349-D362 HydrophobicContact CD1-CB 4.38Å; I349-D362 HydrophobicContact CG1-CB 4.34Å; I349-D362 PolarHBondContact N-O 2.96Å; I349-D362 PolarHBondContact O-N 2.94Å; I349-K365 HydrophobicContact CD1-CD 4.02Å; I349-K365 HydrophobicContact CD1-CG 4.41Å; I349-K365 HydrophobicContact CG1-CD 4.26Å
350	A	96	Very high	96	Very high	3 Å²	3	23.4 Å²	23.4	3%	0.025	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138	-175.9	0	0	0	0	0	112	V340 L343 N344 A361	V340-A350 HydrophobicContact CB-CB 4.31Å; V340-A350 HydrophobicContact CG1-CB 4Å; V340-A350 HydrophobicContact CG2-CB 4.42Å; L343-A350 HydrophobicContact CB-CB 3.87Å; L343-A350 HydrophobicContact CD1-CB 4.22Å; N344-A350 PolarHBondContact OD1-N 3.42Å; A350-A361 HydrophobicContact CB-CB 4.12Å
351	V	96	Very high	96.1	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.2	176.6	-178.9	0	0	0	0	107.8	L174 W179 P353 V360	L174-V351 HydrophobicContact CB-CG2 4.33Å; L174-V351 CarbonylContact O-C 3.39Å; L174-V351 WeakPolarHBondContact O-CA 3.28Å; W179-V351 HydrophobicContact CE3-CG1 4.31Å; W179-V351 HydrophobicContact CH2-CG1 4.47Å; W179-V351 HydrophobicContact CH2-CG2 3.56Å; W179-V351 HydrophobicContact CZ3-CB 4.1Å; W179-V351 HydrophobicContact CZ3-CG1 3.61Å; W179-V351 HydrophobicContact CZ3-CG2 3.49Å; W179-V351 VanDerWaalsContact CZ3-CG2 3.49Å; V351-P353 WeakPolarHBondContact O-CD 3.46Å; V351-V360 WeakPolarHBondContact CB-O 3.08Å; V351-V360 PolarHBondContact N-O 3.27Å
352	R	96.2	Very high	96	Very high	30 Å²	30	17.6 Å²	17.6	11%	0.113	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-70.9	122.8	175.9	-176.3	170.1	59	76.5	-2.5	110.1	E173 L174 I175 S176 V340	E173-R352 VanDerWaalsContact OE1-CD 3.3Å; E173-R352 WeakPolarHBondContact OE1-CD 3.48Å; E173-R352 IonicContact OE1-NE 3.05Å; E173-R352 PolarHBondContact OE1-NE 3.4Å; E173-R352 IonicContact OE2-CZ 3.55Å; E173-R352 VanDerWaalsContact OE2-CZ 3.25Å; E173-R352 IonicContact OE2-NE 3.62Å; E173-R352 PolarHBondContact OE2-NE 3.35Å; E173-R352 IonicContact OE2-NH2 2.76Å; E173-R352 PolarHBondContact OE2-NH2 3.41Å; L174-R352 PolarHBondContact O-N 2.89Å; I175-R352 CarbonylContact C-O 3.33Å; I175-R352 VanDerWaalsContact CA-O 3.27Å; I175-R352 WeakPolarHBondContact CA-O 3.37Å; I175-R352 HydrophobicContact CG2-CB 4.33Å; S176-R352 PolarHBondContact N-O 2.99Å; V340-R352 HydrophobicContact CG1-CB 4.45Å; V340-R352 HydrophobicContact CG2-CB 3.98Å; V340-R352 HydrophobicContact CG2-CG 4.34Å
353	P	97.4	Very high	96.1	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-71	147.6	176.9	30.6	-35.2	0	0	0	110.7	F240 V351 F358 L359 F420	F240-P353 WeakPolarHBondContact CD2-O 3.33Å; F240-P353 HydrophobicContact CE2-CB 4.44Å; F240-P353 HydrophobicContact CE2-CG 4.12Å; V351-P353 WeakPolarHBondContact O-CD 3.46Å; P353-F358 VanDerWaalsContact CB-O 3.31Å; P353-F358 WeakPolarHBondContact CB-O 3.01Å; P353-L359 HydrophobicContact CG-CB 4.09Å; P353-F420 HydrophobicContact CB-CE1 4.49Å; P353-F420 HydrophobicContact CG-CE1 3.61Å; P353-F420 HydrophobicContact CG-CZ 3.66Å
354	T	97	Very high	95.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	11%	0.11	C	C	.	.	S	Bend	trans	-90.3	-12.1	170.1	48.5	0	0	0	0	112.6	S176 G207 K208 V209 F240 N243	S176-T354 WeakPolarHBondContact OG-CG2 3.27Å; S176-T354 PolarHBondContact OG-N 3.37Å; S176-T354 PolarHBondContact OG-OG1 3.34Å; G207-T354 CarbonylContact O-C 3.38Å; G207-T354 PolarHBondContact O-N 3.37Å; G207-T354 PolarHBondContact O-OG1 2.93Å; K208-T354 WeakPolarHBondContact CA-OG1 3.33Å; V209-T354 WeakPolarHBondContact CG2-O 3.46Å; V209-T354 PolarHBondContact N-OG1 2.89Å; F240-T354 WeakPolarHBondContact CB-O 3.45Å; F240-T354 PolarHBondContact N-O 3.17Å; N243-T354 WeakPolarHBondContact ND2-CB 3.19Å
355	G	97.7	Very high	95.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-171.6	-177.2	176.3	0	0	0	0	0	112.8	G207 L238	G207-G355 WeakPolarHBondContact CA-O 3.45Å; G207-G355 PolarHBondContact O-N 2.82Å; L238-G355 CarbonylContact O-C 3.59Å; L238-G355 WeakPolarHBondContact O-CA 3.48Å
356	G	96.7	Very high	95.6	Very high	2 Å²	2	19.3 Å²	19.3	2%	0.021	11%	0.105	C	C	.	.	S	Bend	trans	65.7	-160.4	-172.2	0	0	0	0	0	112.4	L238 F240	L238-G356 PolarHBondContact O-N 2.76Å; F240-G356 WeakPolarHBondContact CZ-O 3.19Å
357	Y	95	Very high	95.3	Very high	4 Å²	4	25 Å²	25	2%	0.016	13%	0.131	C	C	.	.	S	Bend	trans	-129.4	23.5	177.4	54.1	29.3	0	0	0	113.5	G34 Y235 L238 K266 C419 F420 F421	G34-Y357 PolarHBondContact O-OH 3.38Å; Y235-Y357 AromaticContact CE1-CD1 3.95Å; Y235-Y357 HydrophobicContact CE1-CD1 3.95Å; Y235-Y357 HydrophobicContact CE1-CD2 4.38Å; Y235-Y357 AromaticContact CE1-CE1 3.43Å; Y235-Y357 HydrophobicContact CE1-CE1 3.43Å; Y235-Y357 VanDerWaalsContact CE1-CE1 3.43Å; Y235-Y357 AromaticContact CE1-CE2 3.98Å; Y235-Y357 HydrophobicContact CE1-CE2 3.98Å; Y235-Y357 HydrophobicContact CE1-CG 4.41Å; Y235-Y357 AromaticContact CE1-CZ 3.47Å; Y235-Y357 VanDerWaalsContact CE1-CZ 3.47Å; Y235-Y357 AromaticContact CZ-CE1 3.65Å; Y235-Y357 AromaticContact CZ-CZ 3.94Å; Y235-Y357 WeakPolarHBondContact OH-CE1 3.03Å; Y235-Y357 PolarHBondContact OH-OH 3.18Å; Y235-Y357 VanDerWaalsContact OH-OH 3.14Å; L238-Y357 HydrophobicContact CD1-CD2 3.91Å; L238-Y357 HydrophobicContact CD1-CG 4.38Å; K266-Y357 VanDerWaalsContact CD-OH 3.3Å; K266-Y357 WeakPolarHBondContact CD-OH 3.24Å; K266-Y357 PolarHBondContact NZ-OH 3.07Å; Y357-C419 WeakPolarHBondContact O-CA 2.76Å; Y357-F420 VanDerWaalsContact C-CD1 3.4Å; Y357-F420 VanDerWaalsContact CA-CE1 3.47Å; Y357-F420 VanDerWaalsContact CA-CZ 3.44Å; Y357-F420 WeakPolarHBondContact O-CD1 3.43Å; Y357-F420 WeakPolarHBondContact O-CE1 3.38Å; Y357-F420 PolarHBondContact O-N 3.43Å; Y357-F421 HydrophobicContact CD2-CB 3.61Å; Y357-F421 AromaticContact CD2-CD1 3.38Å; Y357-F421 HydrophobicContact CD2-CD1 3.38Å; Y357-F421 HydrophobicContact CD2-CE1 4.34Å; Y357-F421 AromaticContact CD2-CG 3.96Å; Y357-F421 HydrophobicContact CD2-CG 3.96Å; Y357-F421 HydrophobicContact CE2-CB 4.47Å; Y357-F421 AromaticContact CE2-CD1 3.8Å; Y357-F421 HydrophobicContact CE2-CD1 3.8Å; Y357-F421 HydrophobicContact CG-CB 3.86Å; Y357-F421 HydrophobicContact CG-CD1 4.42Å
358	F	97.9	Very high	95.2	Very high	4 Å²	4	24 Å²	24	2%	0.018	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.9	175.8	-58.9	-60.1	0	0	0	109.9	N204 P205 Y235 P353 R417 F418 C419 F420	N204-F358 HydrophobicContact CB-CD2 3.93Å; N204-F358 HydrophobicContact CB-CE2 3.84Å; N204-F358 WeakPolarHBondContact OD1-CD2 3.46Å; N204-F358 VanDerWaalsContact OD1-CE2 3.24Å; N204-F358 WeakPolarHBondContact OD1-CE2 3.3Å; P205-F358 WeakPolarHBondContact O-CB 3.31Å; Y235-F358 HydrophobicContact CE2-CE2 4.27Å; Y235-F358 AromaticContact CZ-CE2 3.8Å; Y235-F358 WeakPolarHBondContact OH-CE2 3.48Å; P353-F358 VanDerWaalsContact CB-O 3.31Å; P353-F358 WeakPolarHBondContact CB-O 3.01Å; F358-R417 HydrophobicContact CB-CG 3.98Å; F358-R417 HydrophobicContact CD1-CG 4.19Å; F358-R417 VanDerWaalsContact CE1-CZ 3.4Å; F358-R417 HydrophobicContact CG-CG 4.25Å; F358-F418 CarbonylContact C-O 3.16Å; F358-F418 VanDerWaalsContact CA-O 3.23Å; F358-F418 WeakPolarHBondContact CA-O 3.5Å; F358-C419 HydrophobicContact CD1-CB 3.9Å; F358-C419 HydrophobicContact CE1-CB 3.91Å; F358-F420 VanDerWaalsContact C-CE1 3.47Å; F358-F420 VanDerWaalsContact N-CE1 3.29Å
359	L	97.3	Very high	95	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	158.8	168.5	64.9	82.5	0	0	0	109	M339 V340 L343 P353 R417 F418 F420	M339-L359 HydrophobicContact CB-CD2 3.88Å; M339-L359 HydrophobicContact CG-CD2 3.82Å; M339-L359 HydrophobicContact SD-CD2 3.93Å; V340-L359 HydrophobicContact CG2-CD2 4.09Å; L343-L359 HydrophobicContact CD1-CD1 3.48Å; L343-L359 VanDerWaalsContact CD1-CD1 3.48Å; P353-L359 HydrophobicContact CG-CB 4.09Å; L359-R417 CarbonylContact O-C 3.18Å; L359-R417 WeakPolarHBondContact O-CA 3.48Å; L359-F418 HydrophobicContact CD1-CB 3.96Å; L359-F418 HydrophobicContact CD1-CD2 3.95Å; L359-F418 HydrophobicContact CD1-CG 4.34Å; L359-F418 HydrophobicContact CG-CB 4.24Å; L359-F418 PolarHBondContact N-O 3.12Å; L359-F418 PolarHBondContact O-N 3.04Å; L359-F420 HydrophobicContact CB-CD1 4.28Å; L359-F420 HydrophobicContact CB-CE1 4.28Å; L359-F420 HydrophobicContact CD2-CD1 3.85Å; L359-F420 HydrophobicContact CD2-CE1 4.45Å; L359-F420 HydrophobicContact CD2-CG 4.45Å; L359-F420 HydrophobicContact CG-CD1 4.11Å
360	V	97.6	Very high	94.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.9	-180	-178.2	0	0	0	0	108.6	P205 L206 V351 M400 Y415 L416	P205-V360 WeakPolarHBondContact O-CG2 3.24Å; L206-V360 HydrophobicContact CD2-CG2 4.33Å; V351-V360 WeakPolarHBondContact CB-O 3.08Å; V351-V360 PolarHBondContact N-O 3.27Å; V360-M400 HydrophobicContact CG1-CE 4.17Å; V360-M400 HydrophobicContact CG1-CG 3.91Å; V360-M400 HydrophobicContact CG1-SD 4.12Å; V360-M400 HydrophobicContact CG2-CE 3.96Å; V360-M400 HydrophobicContact CG2-SD 3.7Å; V360-Y415 HydrophobicContact CG1-CD1 3.69Å; V360-Y415 HydrophobicContact CG1-CG 3.9Å; V360-L416 CarbonylContact C-O 3.56Å; V360-L416 WeakPolarHBondContact CA-O 3.41Å
361	A	96.9	Very high	94.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.2	174.5	0	0	0	0	0	111.4	L343 M348 I349 A350 Y415 L416 F418	L343-A361 HydrophobicContact CD1-CB 4.02Å; M348-A361 HydrophobicContact CB-CB 3.99Å; M348-A361 HydrophobicContact SD-CB 4.12Å; I349-A361 WeakPolarHBondContact O-CA 3.24Å; A350-A361 HydrophobicContact CB-CB 4.12Å; A361-Y415 WeakPolarHBondContact O-CA 3.33Å; A361-L416 PolarHBondContact N-O 3.07Å; A361-L416 PolarHBondContact O-N 3.06Å; A361-F418 HydrophobicContact CB-CD2 4.41Å; A361-F418 HydrophobicContact CB-CE2 4.01Å
362	D	96	Very high	94.4	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.048	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.3	172.8	-162.6	-46.5	0	0	0	109.2	M348 I349 S364 K414 Y415	M348-D362 CarbonylContact C-O 3.58Å; M348-D362 VanDerWaalsContact CA-O 3.3Å; M348-D362 WeakPolarHBondContact CA-O 3.48Å; I349-D362 HydrophobicContact CB-CB 3.84Å; I349-D362 HydrophobicContact CD1-CB 4.38Å; I349-D362 HydrophobicContact CG1-CB 4.34Å; I349-D362 PolarHBondContact N-O 2.96Å; I349-D362 PolarHBondContact O-N 2.94Å; D362-S364 WeakPolarHBondContact OD1-CB 3.48Å; D362-S364 PolarHBondContact OD1-N 3.32Å; D362-S364 PolarHBondContact OD1-OG 3.15Å; D362-K414 WeakPolarHBondContact CA-O 3.34Å; D362-K414 WeakPolarHBondContact OD2-CD 3.49Å; D362-K414 WeakPolarHBondContact OD2-CE 3.46Å; D362-K414 IonicContact OD2-NZ 3.25Å; D362-K414 PolarHBondContact OD2-NZ 3.28Å; D362-Y415 HydrophobicContact CB-CD1 3.85Å; D362-Y415 HydrophobicContact CB-CE1 3.63Å
363	I	96.4	Very high	94.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.			trans	-107.9	8.3	-178.8	53.8	159.1	0	0	0	112.5	M348 K365 L366 Y381 D382 F385 K414 L416	M348-I363 HydrophobicContact CE-CG2 4.19Å; M348-I363 HydrophobicContact CG-CG2 4.27Å; M348-I363 HydrophobicContact SD-CG2 4.09Å; I363-K365 PolarHBondContact O-N 3.25Å; I363-L366 HydrophobicContact CG2-CD1 4.45Å; I363-L366 PolarHBondContact O-N 3.29Å; I363-L366 VanDerWaalsContact O-N 3.13Å; I363-Y381 HydrophobicContact CD1-CD1 3.99Å; I363-Y381 HydrophobicContact CD1-CE1 3.78Å; I363-Y381 HydrophobicContact CG1-CE1 4.17Å; I363-D382 HydrophobicContact CD1-CB 4.36Å; I363-F385 HydrophobicContact CB-CE1 4.27Å; I363-F385 HydrophobicContact CB-CE2 4.06Å; I363-F385 HydrophobicContact CB-CZ 3.89Å; I363-F385 HydrophobicContact CD1-CB 3.65Å; I363-F385 HydrophobicContact CD1-CD1 3.69Å; I363-F385 HydrophobicContact CD1-CD2 3.71Å; I363-F385 HydrophobicContact CD1-CE1 4.14Å; I363-F385 HydrophobicContact CD1-CE2 4.13Å; I363-F385 HydrophobicContact CD1-CG 3.42Å; I363-F385 VanDerWaalsContact CD1-CG 3.42Å; I363-F385 HydrophobicContact CD1-CZ 4.28Å; I363-F385 HydrophobicContact CG2-CE1 3.95Å; I363-F385 HydrophobicContact CG2-CZ 3.91Å; I363-K414 WeakPolarHBondContact CG1-O 3.15Å; I363-K414 PolarHBondContact N-O 3.44Å; I363-L416 HydrophobicContact CD1-CD1 4.48Å; I363-L416 HydrophobicContact CD1-CD2 4.43Å; I363-L416 HydrophobicContact CD1-CG 4.09Å; I363-L416 HydrophobicContact CG2-CD1 3.86Å; I363-L416 HydrophobicContact CG2-CG 3.92Å
364	S	93.5	Very high	94.2	Very high	68 Å²	68	41.7 Å²	41.7	48%	0.476	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.3	-176.4	58.3	0	0	0	0	114.2	D362 L366	D362-S364 WeakPolarHBondContact OD1-CB 3.48Å; D362-S364 PolarHBondContact OD1-N 3.32Å; D362-S364 PolarHBondContact OD1-OG 3.15Å; S364-L366 VanDerWaalsContact C-N 3.34Å
365	K	92.1	Very high	94	Very high	157 Å²	157	50 Å²	50	68%	0.683	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-11.2	177.2	-71.6	-171.7	173.7	176.6	0	113.8	I349 I363	I349-K365 HydrophobicContact CD1-CD 4.02Å; I349-K365 HydrophobicContact CD1-CG 4.41Å; I349-K365 HydrophobicContact CG1-CD 4.26Å; I363-K365 PolarHBondContact O-N 3.25Å
366	L	92.2	Very high	93.8	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.079	28%	0.278	C	S	.	.			trans	-91	121.7	-178.1	-63.6	-179.1	0	0	0	110	I346 M348 I363 S364 Y381 F385 W437	I346-L366 WeakPolarHBondContact O-CD2 3.48Å; M348-L366 HydrophobicContact CE-CD1 3.63Å; M348-L366 HydrophobicContact CG-CD1 3.43Å; M348-L366 VanDerWaalsContact CG-CD1 3.43Å; M348-L366 HydrophobicContact CG-CG 4.39Å; M348-L366 HydrophobicContact SD-CD1 4.37Å; I363-L366 HydrophobicContact CG2-CD1 4.45Å; I363-L366 PolarHBondContact O-N 3.29Å; I363-L366 VanDerWaalsContact O-N 3.13Å; S364-L366 VanDerWaalsContact C-N 3.34Å; L366-Y381 PolarHBondContact O-OH 3.26Å; L366-Y381 VanDerWaalsContact O-OH 3.14Å; L366-F385 HydrophobicContact CB-CE2 3.86Å; L366-F385 HydrophobicContact CB-CZ 4.06Å; L366-F385 HydrophobicContact CD1-CE2 4.41Å; L366-F385 HydrophobicContact CD1-CZ 3.76Å; L366-W437 HydrophobicContact CB-CH2 3.93Å; L366-W437 HydrophobicContact CB-CZ2 3.9Å; L366-W437 HydrophobicContact CB-CZ3 4.5Å; L366-W437 HydrophobicContact CD1-CE3 4.13Å; L366-W437 HydrophobicContact CD1-CH2 3.93Å; L366-W437 HydrophobicContact CD1-CZ2 4.5Å; L366-W437 HydrophobicContact CD1-CZ3 3.67Å; L366-W437 HydrophobicContact CG-CH2 4.47Å
367	H	87.2	Confident	93.6	Very high	146 Å²	146	62.1 Å²	62.1	68%	0.676	32%	0.318	S	S	*	.			trans	-87.8	123.8	179	-173.9	69	0	0	0	110.7
368	V	91.4	Very high	93.4	Very high	7 Å²	7	66.3 Å²	66.3	4%	0.042	35%	0.348	C	S	.	.			trans	-116.5	127.2	165.2	-177.7	0	0	0	0	107.4	S370 E372 L373 F385 W388 W437	V368-S370 PolarHBondContact O-N 2.9Å; V368-E372 HydrophobicContact CG1-CB 4.27Å; V368-L373 HydrophobicContact CB-CD1 4.37Å; V368-L373 HydrophobicContact CB-CD2 4.09Å; V368-L373 HydrophobicContact CB-CG 4.24Å; V368-L373 HydrophobicContact CG1-CD1 4.47Å; V368-L373 HydrophobicContact CG1-CD2 3.66Å; V368-L373 HydrophobicContact CG1-CG 3.82Å; V368-F385 HydrophobicContact CG2-CD2 3.81Å; V368-F385 HydrophobicContact CG2-CE2 3.83Å; V368-W388 HydrophobicContact CG1-CD2 3.74Å; V368-W388 HydrophobicContact CG1-CE3 4.31Å; V368-W388 HydrophobicContact CG1-CG 3.95Å; V368-W388 HydrophobicContact CG1-CZ2 4.03Å; V368-W388 HydrophobicContact CG2-CD2 4.17Å; V368-W388 HydrophobicContact CG2-CE3 3.87Å; V368-W388 HydrophobicContact CG2-CH2 4.09Å; V368-W388 HydrophobicContact CG2-CZ2 4.38Å; V368-W388 HydrophobicContact CG2-CZ3 3.86Å; V368-W437 HydrophobicContact CG2-CH2 4.02Å; V368-W437 HydrophobicContact CG2-CZ2 3.79Å
369	P	89.7	Confident	93.1	Very high	43 Å²	43	68.3 Å²	68.3	28%	0.279	36%	0.358	S	S	.	.			trans	-53.4	130.6	176.5	-27.3	36.4	0	0	0	111.2	N371 E372	P369-N371 WeakPolarHBondContact CB-OD1 3.42Å; P369-N371 PolarHBondContact O-N 2.94Å; P369-N371 VanDerWaalsContact O-N 3.09Å; P369-E372 HydrophobicContact CB-CG 4.18Å; P369-E372 WeakPolarHBondContact O-CB 3.44Å; P369-E372 PolarHBondContact O-N 3.18Å
370	S	88.3	Confident	93	Very high	101 Å²	101	69.5 Å²	69.5	71%	0.706	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.7	-173.2	57.4	0	0	0	0	113.8	V368 E372 L373	V368-S370 PolarHBondContact O-N 2.9Å; S370-E372 VanDerWaalsContact C-N 3.3Å; S370-L373 PolarHBondContact O-N 2.89Å
371	N	92.9	Very high	92.9	Very high	122 Å²	122	72.9 Å²	72.9	65%	0.652	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-16.5	175.3	63.1	-44.3	0	0	0	113.9	P369	P369-N371 WeakPolarHBondContact CB-OD1 3.42Å; P369-N371 PolarHBondContact O-N 2.94Å; P369-N371 VanDerWaalsContact O-N 3.09Å
372	E	94	Very high	92.9	Very high	93 Å²	93	72.9 Å²	72.9	44%	0.435	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-15.8	175.4	-63.6	-178.1	-155.6	0	0	112.9	V368 P369 S370 W388	V368-E372 HydrophobicContact CG1-CB 4.27Å; P369-E372 HydrophobicContact CB-CG 4.18Å; P369-E372 WeakPolarHBondContact O-CB 3.44Å; P369-E372 PolarHBondContact O-N 3.18Å; S370-E372 VanDerWaalsContact C-N 3.3Å; E372-W388 PolarHBondContact OE2-NE1 3.26Å
373	L	94.6	Very high	92.8	Very high	23 Å²	23	73.6 Å²	73.6	12%	0.12	38%	0.384	C	S	.	.	S	Bend	trans	-84	153.6	177.9	-66.5	175.7	0	0	0	111.8	V368 S370 K375 Y381 K384 W388	V368-L373 HydrophobicContact CB-CD1 4.37Å; V368-L373 HydrophobicContact CB-CD2 4.09Å; V368-L373 HydrophobicContact CB-CG 4.24Å; V368-L373 HydrophobicContact CG1-CD1 4.47Å; V368-L373 HydrophobicContact CG1-CD2 3.66Å; V368-L373 HydrophobicContact CG1-CG 3.82Å; S370-L373 PolarHBondContact O-N 2.89Å; L373-K375 PolarHBondContact O-N 2.97Å; L373-Y381 HydrophobicContact CD1-CD2 4.32Å; L373-Y381 HydrophobicContact CD1-CE2 3.86Å; L373-K384 HydrophobicContact CD2-CB 4.16Å; L373-W388 HydrophobicContact CD2-CB 4.05Å; L373-W388 HydrophobicContact CD2-CG 4.38Å
374	D	93.3	Very high	92.8	Very high	81 Å²	81	75.3 Å²	75.3	43%	0.433	39%	0.392	S	S	.	.			trans	-60	128.8	173.5	-165.3	-45.7	0	0	0	110.6	N376 L379 K384	D374-N376 VanDerWaalsContact C-N 3.27Å; D374-N376 PolarHBondContact O-N 2.89Å; D374-N376 VanDerWaalsContact OD1-CB 3.23Å; D374-N376 WeakPolarHBondContact OD1-CB 3.24Å; D374-N376 PolarHBondContact OD1-N 3.46Å; D374-L379 HydrophobicContact CB-CD1 4.23Å; D374-K384 HydrophobicContact CB-CG 4.22Å; D374-K384 VanDerWaalsContact O-CD 3.31Å; D374-K384 WeakPolarHBondContact O-CD 3.44Å; D374-K384 WeakPolarHBondContact O-CE 3.36Å; D374-K384 PolarHBondContact O-NZ 3.4Å
375	K	93.9	Very high	92.9	Very high	174 Å²	174	72 Å²	72	76%	0.757	37%	0.369	S	S	*	.			trans	-79.1	-7.7	-176.8	-63.2	-174.7	179.5	-179.3	0	113.3	L373 E377	L373-K375 PolarHBondContact O-N 2.97Å; K375-E377 PolarHBondContact O-N 3.3Å; K375-E377 VanDerWaalsContact O-N 3.08Å
376	N	93.5	Very high	93	Very high	75 Å²	75	64.8 Å²	64.8	40%	0.401	34%	0.338	S	S	.	.			trans	-65.4	109.5	176.7	-175.8	-1.4	0	0	0	110.6	D374 S378 L379 K384	D374-N376 VanDerWaalsContact C-N 3.27Å; D374-N376 PolarHBondContact O-N 2.89Å; D374-N376 VanDerWaalsContact OD1-CB 3.23Å; D374-N376 WeakPolarHBondContact OD1-CB 3.24Å; D374-N376 PolarHBondContact OD1-N 3.46Å; N376-S378 PolarHBondContact ND2-OG 3.49Å; N376-S378 VanDerWaalsContact ND2-OG 3.09Å; N376-S378 PolarHBondContact O-N 3.45Å; N376-S378 WeakPolarHBondContact OD1-CB 3.47Å; N376-S378 PolarHBondContact OD1-N 3.26Å; N376-S378 PolarHBondContact OD1-OG 2.91Å; N376-L379 HydrophobicContact CB-CD1 4.14Å; N376-L379 HydrophobicContact CB-CG 4.12Å; N376-L379 PolarHBondContact O-N 3.02Å; N376-K384 WeakPolarHBondContact O-CE 3.29Å; N376-K384 PolarHBondContact O-NZ 3.4Å
377	E	91.4	Very high	93.2	Very high	182 Å²	182	66 Å²	66	85%	0.85	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.1	179.6	-64	-173.5	170.5	0	0	113.4	K375 L379	K375-E377 PolarHBondContact O-N 3.3Å; K375-E377 VanDerWaalsContact O-N 3.08Å; E377-L379 PolarHBondContact O-N 3.39Å
378	S	91	Very high	93.5	Very high	92 Å²	92	59.7 Å²	59.7	64%	0.643	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.2	175.5	84.8	0	0	0	0	113.3	N376	N376-S378 PolarHBondContact ND2-OG 3.49Å; N376-S378 VanDerWaalsContact ND2-OG 3.09Å; N376-S378 PolarHBondContact O-N 3.45Å; N376-S378 WeakPolarHBondContact OD1-CB 3.47Å; N376-S378 PolarHBondContact OD1-N 3.26Å; N376-S378 PolarHBondContact OD1-OG 2.91Å
379	L	92.2	Very high	93.7	Very high	47 Å²	47	59.4 Å²	59.4	25%	0.246	31%	0.313	C	S	.	.	S	Bend	trans	-89.5	133	177.9	-58.9	-180	0	0	0	110.1	D374 N376 E377 V383 K384	D374-L379 HydrophobicContact CB-CD1 4.23Å; N376-L379 HydrophobicContact CB-CD1 4.14Å; N376-L379 HydrophobicContact CB-CG 4.12Å; N376-L379 PolarHBondContact O-N 3.02Å; E377-L379 PolarHBondContact O-N 3.39Å; L379-V383 HydrophobicContact CB-CG1 4.41Å; L379-V383 HydrophobicContact CD1-CG1 4.39Å; L379-V383 HydrophobicContact CD2-CG1 4.1Å; L379-K384 HydrophobicContact CB-CD 4.46Å; L379-K384 HydrophobicContact CB-CG 3.88Å; L379-K384 WeakPolarHBondContact O-CE 3.42Å
380	S	94.5	Very high	94	Very high	24 Å²	24	57.5 Å²	57.5	17%	0.168	30%	0.3	C	S	.	.			trans	-68.5	158.2	170.6	55.3	0	0	0	0	111.6	D382 V383 K384 S401	S380-D382 WeakPolarHBondContact CB-OD1 3.41Å; S380-D382 PolarHBondContact O-N 2.67Å; S380-D382 PolarHBondContact OG-OD1 2.8Å; S380-V383 PolarHBondContact O-N 3.23Å; S380-V383 VanDerWaalsContact O-N 3.13Å; S380-V383 VanDerWaalsContact OG-CG2 3.27Å; S380-V383 WeakPolarHBondContact OG-CG2 3.37Å; S380-K384 WeakPolarHBondContact O-CG 3.37Å; S380-K384 PolarHBondContact O-N 3.37Å; S380-K384 VanDerWaalsContact O-N 3.13Å; S380-S401 WeakPolarHBondContact OG-CB 3.49Å; S380-S401 PolarHBondContact OG-OG 2.9Å
381	Y	95.6	Very high	94.2	Very high	72 Å²	72	57.3 Å²	57.3	28%	0.282	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-44.3	-173.9	175.9	-104.8	0	0	0	113.2	I363 L366 L373 V383 K384 F385 S413	I363-Y381 HydrophobicContact CD1-CD1 3.99Å; I363-Y381 HydrophobicContact CD1-CE1 3.78Å; I363-Y381 HydrophobicContact CG1-CE1 4.17Å; L366-Y381 PolarHBondContact O-OH 3.26Å; L366-Y381 VanDerWaalsContact O-OH 3.14Å; L373-Y381 HydrophobicContact CD1-CD2 4.32Å; L373-Y381 HydrophobicContact CD1-CE2 3.86Å; Y381-V383 VanDerWaalsContact C-N 3.3Å; Y381-V383 PolarHBondContact O-N 2.98Å; Y381-K384 PolarHBondContact O-N 3.09Å; Y381-F385 HydrophobicContact CE1-CD2 4.05Å; Y381-F385 AromaticContact CZ-CD2 3.87Å; Y381-F385 VanDerWaalsContact O-CB 3.26Å; Y381-F385 WeakPolarHBondContact O-CB 3.47Å; Y381-F385 PolarHBondContact O-N 3.21Å; Y381-S413 WeakPolarHBondContact CB-O 3.49Å
382	D	96.8	Very high	94.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.8	-37.5	174.3	61.8	-31.6	0	0	0	113.8	I363 S380 N386 P399 M400 S401 S413 Y415 L416	I363-D382 HydrophobicContact CD1-CB 4.36Å; S380-D382 WeakPolarHBondContact CB-OD1 3.41Å; S380-D382 PolarHBondContact O-N 2.67Å; S380-D382 PolarHBondContact OG-OD1 2.8Å; D382-N386 VanDerWaalsContact O-CB 3.25Å; D382-N386 WeakPolarHBondContact O-CB 3.19Å; D382-N386 PolarHBondContact O-N 3.44Å; D382-P399 HydrophobicContact CB-CB 4.06Å; D382-P399 VanDerWaalsContact OD2-C 3.25Å; D382-P399 WeakPolarHBondContact OD2-CA 3.43Å; D382-P399 WeakPolarHBondContact OD2-CB 3.47Å; D382-M400 PolarHBondContact OD2-N 2.93Å; D382-S401 PolarHBondContact OD1-OG 3.09Å; D382-S401 WeakPolarHBondContact OD2-CB 3.38Å; D382-S401 PolarHBondContact OD2-N 3.29Å; D382-S401 PolarHBondContact OD2-OG 3.39Å; D382-S413 WeakPolarHBondContact CB-O 3.29Å; D382-S413 PolarHBondContact N-O 2.6Å; D382-S413 WeakPolarHBondContact OD1-CA 3.43Å; D382-Y415 WeakPolarHBondContact CB-O 3.23Å; D382-L416 HydrophobicContact CB-CD2 4.2Å
383	V	95.3	Very high	94.2	Very high	24 Å²	24	54 Å²	54	15%	0.145	27%	0.271	C	S	.	.	H	α-helix	trans	-67.1	-47.7	175.3	176.2	0	0	0	0	110.3	L379 S380 Y381 F385 N386 N387 P399	L379-V383 HydrophobicContact CB-CG1 4.41Å; L379-V383 HydrophobicContact CD1-CG1 4.39Å; L379-V383 HydrophobicContact CD2-CG1 4.1Å; S380-V383 PolarHBondContact O-N 3.23Å; S380-V383 VanDerWaalsContact O-N 3.13Å; S380-V383 VanDerWaalsContact OG-CG2 3.27Å; S380-V383 WeakPolarHBondContact OG-CG2 3.37Å; Y381-V383 VanDerWaalsContact C-N 3.3Å; Y381-V383 PolarHBondContact O-N 2.98Å; V383-F385 VanDerWaalsContact C-N 3.33Å; V383-F385 PolarHBondContact O-N 2.97Å; V383-N386 PolarHBondContact O-N 3.39Å; V383-N387 WeakPolarHBondContact O-CB 3.28Å; V383-N387 VanDerWaalsContact O-CG 3.26Å; V383-N387 PolarHBondContact O-N 3.18Å; V383-P399 HydrophobicContact CB-CB 4.33Å; V383-P399 HydrophobicContact CB-CG 4.24Å; V383-P399 HydrophobicContact CG2-CB 3.57Å; V383-P399 HydrophobicContact CG2-CG 3.79Å
384	K	95.1	Very high	94.2	Very high	35 Å²	35	54 Å²	54	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-46.7	177.4	-62.9	179.1	173.4	-178.8	0	111.1	L373 D374 N376 L379 S380 Y381 N387 W388	L373-K384 HydrophobicContact CD2-CB 4.16Å; D374-K384 HydrophobicContact CB-CG 4.22Å; D374-K384 VanDerWaalsContact O-CD 3.31Å; D374-K384 WeakPolarHBondContact O-CD 3.44Å; D374-K384 WeakPolarHBondContact O-CE 3.36Å; D374-K384 PolarHBondContact O-NZ 3.4Å; N376-K384 WeakPolarHBondContact O-CE 3.29Å; N376-K384 PolarHBondContact O-NZ 3.4Å; L379-K384 HydrophobicContact CB-CD 4.46Å; L379-K384 HydrophobicContact CB-CG 3.88Å; L379-K384 WeakPolarHBondContact O-CE 3.42Å; S380-K384 WeakPolarHBondContact O-CG 3.37Å; S380-K384 PolarHBondContact O-N 3.37Å; S380-K384 VanDerWaalsContact O-N 3.13Å; Y381-K384 PolarHBondContact O-N 3.09Å; K384-N387 PolarHBondContact O-N 3.43Å; K384-W388 WeakPolarHBondContact O-CB 3.31Å; K384-W388 PolarHBondContact O-N 2.88Å
385	F	95.8	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-46.6	179.3	-173.7	-74.2	0	0	0	111.6	I363 L366 V368 Y381 V383 N387 W388 M389 L416 W437	I363-F385 HydrophobicContact CB-CE1 4.27Å; I363-F385 HydrophobicContact CB-CE2 4.06Å; I363-F385 HydrophobicContact CB-CZ 3.89Å; I363-F385 HydrophobicContact CD1-CB 3.65Å; I363-F385 HydrophobicContact CD1-CD1 3.69Å; I363-F385 HydrophobicContact CD1-CD2 3.71Å; I363-F385 HydrophobicContact CD1-CE1 4.14Å; I363-F385 HydrophobicContact CD1-CE2 4.13Å; I363-F385 HydrophobicContact CD1-CG 3.42Å; I363-F385 VanDerWaalsContact CD1-CG 3.42Å; I363-F385 HydrophobicContact CD1-CZ 4.28Å; I363-F385 HydrophobicContact CG2-CE1 3.95Å; I363-F385 HydrophobicContact CG2-CZ 3.91Å; L366-F385 HydrophobicContact CB-CE2 3.86Å; L366-F385 HydrophobicContact CB-CZ 4.06Å; L366-F385 HydrophobicContact CD1-CE2 4.41Å; L366-F385 HydrophobicContact CD1-CZ 3.76Å; V368-F385 HydrophobicContact CG2-CD2 3.81Å; V368-F385 HydrophobicContact CG2-CE2 3.83Å; Y381-F385 HydrophobicContact CE1-CD2 4.05Å; Y381-F385 AromaticContact CZ-CD2 3.87Å; Y381-F385 VanDerWaalsContact O-CB 3.26Å; Y381-F385 WeakPolarHBondContact O-CB 3.47Å; Y381-F385 PolarHBondContact O-N 3.21Å; V383-F385 VanDerWaalsContact C-N 3.33Å; V383-F385 PolarHBondContact O-N 2.97Å; F385-N387 VanDerWaalsContact C-N 3.33Å; F385-N387 PolarHBondContact O-N 3.31Å; F385-W388 PolarHBondContact O-N 3.04Å; F385-M389 HydrophobicContact CD1-CB 4.47Å; F385-M389 HydrophobicContact CE1-SD 4.22Å; F385-M389 VanDerWaalsContact O-CB 3.31Å; F385-M389 WeakPolarHBondContact O-CB 3.31Å; F385-M389 PolarHBondContact O-N 3.26Å; F385-L416 HydrophobicContact CD1-CD1 3.77Å; F385-L416 HydrophobicContact CE1-CD1 3.78Å; F385-W437 AromaticContact CE1-CH2 3.96Å; F385-W437 HydrophobicContact CE1-CH2 3.96Å; F385-W437 HydrophobicContact CE1-CZ3 4.07Å; F385-W437 AromaticContact CE2-CH2 3.42Å; F385-W437 HydrophobicContact CE2-CH2 3.42Å; F385-W437 VanDerWaalsContact CE2-CH2 3.42Å; F385-W437 HydrophobicContact CE2-CZ2 4.21Å; F385-W437 HydrophobicContact CE2-CZ3 4.26Å; F385-W437 AromaticContact CZ-CH2 3.09Å; F385-W437 HydrophobicContact CZ-CH2 3.09Å; F385-W437 HydrophobicContact CZ-CZ2 4.23Å; F385-W437 AromaticContact CZ-CZ3 3.48Å; F385-W437 HydrophobicContact CZ-CZ3 3.48Å; F385-W437 VanDerWaalsContact CZ-CZ3 3.48Å
386	N	95.4	Very high	94.5	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-41.2	179	-175	68.1	0	0	0	111.7	D382 V383 M389 M390 A397 P399 L416	D382-N386 VanDerWaalsContact O-CB 3.25Å; D382-N386 WeakPolarHBondContact O-CB 3.19Å; D382-N386 PolarHBondContact O-N 3.44Å; V383-N386 PolarHBondContact O-N 3.39Å; N386-M389 PolarHBondContact O-N 3.46Å; N386-M390 VanDerWaalsContact O-CB 3.27Å; N386-M390 WeakPolarHBondContact O-CB 3.36Å; N386-M390 PolarHBondContact O-N 3.08Å; N386-A397 PolarHBondContact ND2-O 3.27Å; N386-A397 WeakPolarHBondContact OD1-CA 3.3Å; N386-A397 PolarHBondContact OD1-N 3.15Å; N386-A397 PolarHBondContact OD1-O 2.97Å; N386-P399 HydrophobicContact CB-CG 3.84Å; N386-L416 HydrophobicContact CB-CD2 3.92Å
387	N	94.5	Very high	94.6	Very high	42 Å²	42	38.3 Å²	38.3	23%	0.225	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-44.3	175.7	-71.9	-11.7	0	0	0	111.2	V383 K384 F385 M390 Q391	V383-N387 WeakPolarHBondContact O-CB 3.28Å; V383-N387 VanDerWaalsContact O-CG 3.26Å; V383-N387 PolarHBondContact O-N 3.18Å; K384-N387 PolarHBondContact O-N 3.43Å; F385-N387 VanDerWaalsContact C-N 3.33Å; F385-N387 PolarHBondContact O-N 3.31Å; N387-M390 PolarHBondContact O-N 3.08Å; N387-Q391 WeakPolarHBondContact O-CB 3.38Å; N387-Q391 WeakPolarHBondContact O-CG 3.48Å; N387-Q391 PolarHBondContact O-N 3.39Å
388	W	94.9	Very high	94.9	Very high	13 Å²	13	29.8 Å²	29.8	5%	0.049	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-45.1	174.8	173.3	93.3	0	0	0	112.3	V368 E372 L373 K384 F385 M390 Q391 N392 K393 W437	V368-W388 HydrophobicContact CG1-CD2 3.74Å; V368-W388 HydrophobicContact CG1-CE3 4.31Å; V368-W388 HydrophobicContact CG1-CG 3.95Å; V368-W388 HydrophobicContact CG1-CZ2 4.03Å; V368-W388 HydrophobicContact CG2-CD2 4.17Å; V368-W388 HydrophobicContact CG2-CE3 3.87Å; V368-W388 HydrophobicContact CG2-CH2 4.09Å; V368-W388 HydrophobicContact CG2-CZ2 4.38Å; V368-W388 HydrophobicContact CG2-CZ3 3.86Å; E372-W388 PolarHBondContact OE2-NE1 3.26Å; L373-W388 HydrophobicContact CD2-CB 4.05Å; L373-W388 HydrophobicContact CD2-CG 4.38Å; K384-W388 WeakPolarHBondContact O-CB 3.31Å; K384-W388 PolarHBondContact O-N 2.88Å; F385-W388 PolarHBondContact O-N 3.04Å; W388-M390 VanDerWaalsContact C-N 3.32Å; W388-M390 PolarHBondContact O-N 3.04Å; W388-Q391 PolarHBondContact O-N 2.89Å; W388-N392 HydrophobicContact CZ2-CB 4.46Å; W388-N392 PolarHBondContact NE1-ND2 3.31Å; W388-N392 WeakPolarHBondContact O-CB 3.36Å; W388-N392 PolarHBondContact O-N 3.06Å; W388-N392 PolarHBondContact O-ND2 3.12Å; W388-N392 VanDerWaalsContact O-ND2 3.09Å; W388-K393 HydrophobicContact CH2-CD 4.28Å; W388-K393 HydrophobicContact CH2-CG 4.06Å; W388-K393 HydrophobicContact CZ3-CG 3.99Å; W388-W437 HydrophobicContact CE3-CH2 4.44Å; W388-W437 HydrophobicContact CH2-CH2 4.04Å; W388-W437 AromaticContact CH2-CZ2 3.88Å; W388-W437 HydrophobicContact CH2-CZ2 3.88Å; W388-W437 AromaticContact CZ3-CH2 3.49Å; W388-W437 HydrophobicContact CZ3-CH2 3.49Å; W388-W437 VanDerWaalsContact CZ3-CH2 3.49Å; W388-W437 AromaticContact CZ3-CZ2 3.82Å; W388-W437 HydrophobicContact CZ3-CZ2 3.82Å; W388-W437 HydrophobicContact CZ3-CZ3 4.03Å
389	M	95.3	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	I	π-helix	trans	-61.8	-42.9	180	-176.7	-179.9	69.4	0	0	110.8	F385 N386 K393 G394 V395 A397 L416 L434	F385-M389 HydrophobicContact CD1-CB 4.47Å; F385-M389 HydrophobicContact CE1-SD 4.22Å; F385-M389 VanDerWaalsContact O-CB 3.31Å; F385-M389 WeakPolarHBondContact O-CB 3.31Å; F385-M389 PolarHBondContact O-N 3.26Å; N386-M389 PolarHBondContact O-N 3.46Å; M389-K393 HydrophobicContact CG-CB 4.33Å; M389-K393 CarbonylContact O-C 3.44Å; M389-K393 WeakPolarHBondContact O-CA 3.33Å; M389-K393 VanDerWaalsContact O-CB 3.29Å; M389-K393 WeakPolarHBondContact O-CB 3.46Å; M389-K393 PolarHBondContact O-N 3Å; M389-G394 PolarHBondContact O-N 3.04Å; M389-V395 CarbonylContact C-O 3.58Å; M389-V395 HydrophobicContact CE-CG1 4.46Å; M389-V395 WeakPolarHBondContact CE-O 3.41Å; M389-V395 WeakPolarHBondContact CG-O 3.31Å; M389-A397 HydrophobicContact CE-CB 3.85Å; M389-L416 HydrophobicContact CE-CD1 4Å; M389-L416 HydrophobicContact SD-CD1 4.32Å; M389-L434 HydrophobicContact CG-CD2 4.1Å; M389-L434 HydrophobicContact SD-CD2 3.78Å
390	M	94.7	Very high	95.4	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.02	12%	0.12	C	C	.	.	I	π-helix	trans	-65.3	-39.1	176.2	174.9	166.7	43.9	0	0	112.2	A22 V23 Y26 P28 N386 N387 W388 G394 V395	A22-M390 HydrophobicContact CB-CE 3.42Å; A22-M390 VanDerWaalsContact CB-CE 3.42Å; A22-M390 HydrophobicContact CB-SD 4.02Å; V23-M390 HydrophobicContact CG2-SD 4.16Å; Y26-M390 HydrophobicContact CD2-CE 4.22Å; Y26-M390 HydrophobicContact CD2-CG 3.78Å; Y26-M390 HydrophobicContact CD2-SD 4.02Å; Y26-M390 HydrophobicContact CG-CG 4.05Å; P28-M390 HydrophobicContact CB-CG 4Å; P28-M390 HydrophobicContact CG-CG 3.77Å; P28-M390 HydrophobicContact CG-SD 3.92Å; N386-M390 VanDerWaalsContact O-CB 3.27Å; N386-M390 WeakPolarHBondContact O-CB 3.36Å; N386-M390 PolarHBondContact O-N 3.08Å; N387-M390 PolarHBondContact O-N 3.08Å; W388-M390 VanDerWaalsContact C-N 3.32Å; W388-M390 PolarHBondContact O-N 3.04Å; M390-G394 WeakPolarHBondContact O-CA 3.48Å; M390-V395 VanDerWaalsContact CA-O 3.23Å; M390-V395 WeakPolarHBondContact CA-O 3.46Å; M390-V395 PolarHBondContact N-O 3.44Å
391	Q	93.9	Very high	95.5	Very high	96 Å²	96	22.3 Å²	22.3	45%	0.449	11%	0.113	S	C	.	.	I	π-helix	trans	-73.3	-46.6	-179.8	-75.6	175.4	31.6	0	0	113.6	Y26 N387 W388	Y26-Q391 HydrophobicContact CD1-CG 3.87Å; Y26-Q391 HydrophobicContact CD2-CG 4.02Å; Y26-Q391 HydrophobicContact CE1-CB 4.44Å; Y26-Q391 HydrophobicContact CE1-CG 3.45Å; Y26-Q391 VanDerWaalsContact CE1-CG 3.45Å; Y26-Q391 HydrophobicContact CE2-CG 3.62Å; Y26-Q391 HydrophobicContact CG-CG 4.14Å; Y26-Q391 PolarHBondContact OH-NE2 3.46Å; N387-Q391 WeakPolarHBondContact O-CB 3.38Å; N387-Q391 WeakPolarHBondContact O-CG 3.48Å; N387-Q391 PolarHBondContact O-N 3.39Å; W388-Q391 PolarHBondContact O-N 2.89Å
392	N	93.2	Very high	95.4	Very high	93 Å²	93	20.6 Å²	20.6	50%	0.497	11%	0.109	S	C	.	.	I	π-helix	trans	-103.7	-27.6	-166.4	-64.5	-73.7	0	0	0	113.2	W388	W388-N392 HydrophobicContact CZ2-CB 4.46Å; W388-N392 PolarHBondContact NE1-ND2 3.31Å; W388-N392 WeakPolarHBondContact O-CB 3.36Å; W388-N392 PolarHBondContact O-N 3.06Å; W388-N392 PolarHBondContact O-ND2 3.12Å; W388-N392 VanDerWaalsContact O-ND2 3.09Å
393	K	93.5	Very high	95.4	Very high	54 Å²	54	20.7 Å²	20.7	24%	0.235	11%	0.11	C	C	.	.	I	π-helix	trans	-103.6	-31.6	177.7	-54.3	-60.1	-169.8	172.1	0	111.3	W388 M389 I433 W437	W388-K393 HydrophobicContact CH2-CD 4.28Å; W388-K393 HydrophobicContact CH2-CG 4.06Å; W388-K393 HydrophobicContact CZ3-CG 3.99Å; M389-K393 HydrophobicContact CG-CB 4.33Å; M389-K393 CarbonylContact O-C 3.44Å; M389-K393 WeakPolarHBondContact O-CA 3.33Å; M389-K393 VanDerWaalsContact O-CB 3.29Å; M389-K393 WeakPolarHBondContact O-CB 3.46Å; M389-K393 PolarHBondContact O-N 3Å; K393-I433 HydrophobicContact CB-CG2 4.13Å; K393-I433 WeakPolarHBondContact O-CG2 3.32Å; K393-W437 PolarHBondContact NZ-OXT 2.99Å
394	G	95.2	Very high	95.5	Very high	21 Å²	21	20.2 Å²	20.2	22%	0.216	11%	0.105	C	C	.	.			trans	85.1	25.2	179.8	0	0	0	0	0	113.5	P28 I29 M389 M390	P28-G394 CarbonylContact C-O 3.48Å; P28-G394 VanDerWaalsContact CA-O 3.27Å; P28-G394 WeakPolarHBondContact CA-O 3.26Å; P28-G394 WeakPolarHBondContact CB-O 3.43Å; I29-G394 PolarHBondContact N-O 2.86Å; M389-G394 PolarHBondContact O-N 3.04Å; M390-G394 WeakPolarHBondContact O-CA 3.48Å
395	V	96.6	Very high	95.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.8	170.3	-179.4	0	0	0	0	108.6	L31 M389 M390 A430 I433 L434	L31-V395 HydrophobicContact CD1-CG1 4.02Å; L31-V395 HydrophobicContact CG-CG1 4.34Å; M389-V395 CarbonylContact C-O 3.58Å; M389-V395 HydrophobicContact CE-CG1 4.46Å; M389-V395 WeakPolarHBondContact CE-O 3.41Å; M389-V395 WeakPolarHBondContact CG-O 3.31Å; M390-V395 VanDerWaalsContact CA-O 3.23Å; M390-V395 WeakPolarHBondContact CA-O 3.46Å; M390-V395 PolarHBondContact N-O 3.44Å; V395-A430 HydrophobicContact CG1-CB 4.22Å; V395-A430 HydrophobicContact CG2-CB 4.16Å; V395-I433 HydrophobicContact CG2-CB 4.01Å; V395-I433 HydrophobicContact CG2-CD1 4.32Å; V395-I433 HydrophobicContact CG2-CG2 3.69Å; V395-L434 HydrophobicContact CB-CD2 4.17Å; V395-L434 HydrophobicContact CB-CG 4.38Å; V395-L434 HydrophobicContact CG1-CD1 4.24Å; V395-L434 HydrophobicContact CG1-CG 4.46Å; V395-L434 HydrophobicContact CG2-CD2 4.3Å; V395-L434 HydrophobicContact CG2-CG 4.12Å
396	S	95.9	Very high	95.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.3	174.4	57.3	0	0	0	0	111.6	P28 I29 N30 L31 G32	P28-S396 VanDerWaalsContact CG-OG 3.3Å; P28-S396 WeakPolarHBondContact CG-OG 3.31Å; I29-S396 PolarHBondContact O-N 2.65Å; I29-S396 PolarHBondContact O-OG 2.88Å; N30-S396 WeakPolarHBondContact CA-OG 2.91Å; N30-S396 PolarHBondContact OD1-OG 3.03Å; L31-S396 CarbonylContact C-O 3.6Å; L31-S396 WeakPolarHBondContact CA-O 3.37Å; L31-S396 WeakPolarHBondContact CB-O 3.42Å; L31-S396 PolarHBondContact N-O 3.22Å; G32-S396 PolarHBondContact N-O 3.19Å
397	A	96.6	Very high	95.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	16%	0.156	C	C	.	.			trans	-120.2	-159.6	168.3	0	0	0	0	0	108.1	N386 M389 L416 R417 F418	N386-A397 PolarHBondContact ND2-O 3.27Å; N386-A397 WeakPolarHBondContact OD1-CA 3.3Å; N386-A397 PolarHBondContact OD1-N 3.15Å; N386-A397 PolarHBondContact OD1-O 2.97Å; M389-A397 HydrophobicContact CE-CB 3.85Å; A397-L416 HydrophobicContact CB-CB 4.01Å; A397-L416 HydrophobicContact CB-CD1 4.12Å; A397-L416 HydrophobicContact CB-CG 4.47Å; A397-R417 WeakPolarHBondContact CB-O 3.49Å; A397-F418 HydrophobicContact CB-CD1 3.77Å; A397-F418 HydrophobicContact CB-CE1 3.56Å; A397-F418 HydrophobicContact CB-CE2 4.33Å; A397-F418 HydrophobicContact CB-CG 4.26Å; A397-F418 HydrophobicContact CB-CZ 3.86Å
398	I	96.9	Very high	95.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.1	167.4	-56	-63.2	0	0	0	109.7	W16 I19 G32 M400 V402 F403 L416 R417	W16-I398 HydrophobicContact CH2-CD1 4.5Å; W16-I398 HydrophobicContact CH2-CG1 4.44Å; W16-I398 HydrophobicContact CH2-CG2 4.47Å; W16-I398 HydrophobicContact CZ3-CD1 3.71Å; W16-I398 HydrophobicContact CZ3-CG1 4.1Å; I19-I398 HydrophobicContact CD1-CD1 3.8Å; I19-I398 HydrophobicContact CD1-CG2 4.12Å; I19-I398 HydrophobicContact CG2-CD1 3.72Å; G32-I398 WeakPolarHBondContact O-CG1 3.48Å; I398-M400 PolarHBondContact O-N 3.4Å; I398-V402 HydrophobicContact CG2-CG2 3.96Å; I398-F403 HydrophobicContact CB-CE2 4.39Å; I398-F403 HydrophobicContact CG2-CE2 3.58Å; I398-F403 HydrophobicContact CG2-CZ 3.7Å; I398-L416 WeakPolarHBondContact O-CA 3.27Å; I398-R417 HydrophobicContact CB-CB 4.3Å; I398-R417 PolarHBondContact N-O 3.43Å; I398-R417 PolarHBondContact O-N 3.03Å
399	P	96.5	Very high	95.6	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.032	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	131.3	172.5	-17.8	30.6	0	0	0	110.7	D382 V383 N386 V402	D382-P399 HydrophobicContact CB-CB 4.06Å; D382-P399 VanDerWaalsContact OD2-C 3.25Å; D382-P399 WeakPolarHBondContact OD2-CA 3.43Å; D382-P399 WeakPolarHBondContact OD2-CB 3.47Å; V383-P399 HydrophobicContact CB-CB 4.33Å; V383-P399 HydrophobicContact CB-CG 4.24Å; V383-P399 HydrophobicContact CG2-CB 3.57Å; V383-P399 HydrophobicContact CG2-CG 3.79Å; N386-P399 HydrophobicContact CB-CG 3.84Å; P399-V402 HydrophobicContact CB-CG1 4.21Å; P399-V402 WeakPolarHBondContact O-CG2 3.34Å
400	M	96.9	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-71.2	-30.5	-177.1	-82.7	-74.4	-63.8	0	0	113.6	P143 P205 L206 V360 D382 I398 V402 F403 Y404 G412 Y415 R417	P143-M400 HydrophobicContact CB-CE 4.23Å; P143-M400 HydrophobicContact CG-CE 4.01Å; P205-M400 HydrophobicContact CB-CE 4.29Å; P205-M400 HydrophobicContact CB-SD 3.57Å; P205-M400 VanDerWaalsContact CB-SD 3.57Å; P205-M400 HydrophobicContact CG-CE 3.42Å; P205-M400 VanDerWaalsContact CG-CE 3.42Å; P205-M400 HydrophobicContact CG-SD 3.29Å; P205-M400 WeakPolarHBondContact CG-SD 3.31Å; L206-M400 HydrophobicContact CD2-CE 4.01Å; V360-M400 HydrophobicContact CG1-CE 4.17Å; V360-M400 HydrophobicContact CG1-CG 3.91Å; V360-M400 HydrophobicContact CG1-SD 4.12Å; V360-M400 HydrophobicContact CG2-CE 3.96Å; V360-M400 HydrophobicContact CG2-SD 3.7Å; D382-M400 PolarHBondContact OD2-N 2.93Å; I398-M400 PolarHBondContact O-N 3.4Å; M400-V402 PolarHBondContact O-N 2.86Å; M400-V402 VanDerWaalsContact O-N 3.09Å; M400-F403 WeakPolarHBondContact O-CB 3.34Å; M400-F403 PolarHBondContact O-N 2.92Å; M400-F403 HydrophobicContact SD-CD2 4.12Å; M400-Y404 HydrophobicContact CE-CE2 4.2Å; M400-Y404 WeakPolarHBondContact O-CD2 3.45Å; M400-G412 WeakPolarHBondContact CB-O 3.26Å; M400-Y415 WeakPolarHBondContact CB-O 3.15Å; M400-Y415 VanDerWaalsContact CG-CB 3.49Å; M400-Y415 PolarHBondContact N-O 3.5Å; M400-R417 HydrophobicContact CG-CB 4.38Å; M400-R417 HydrophobicContact SD-CB 3.89Å
401	S	96.4	Very high	95.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.014	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-54.2	-26.3	178.2	55.9	0	0	0	0	113.8	S380 D382 F403 Y404	S380-S401 WeakPolarHBondContact OG-CB 3.49Å; S380-S401 PolarHBondContact OG-OG 2.9Å; D382-S401 PolarHBondContact OD1-OG 3.09Å; D382-S401 WeakPolarHBondContact OD2-CB 3.38Å; D382-S401 PolarHBondContact OD2-N 3.29Å; D382-S401 PolarHBondContact OD2-OG 3.39Å; S401-F403 PolarHBondContact O-N 3.37Å; S401-Y404 PolarHBondContact O-N 2.8Å; S401-Y404 VanDerWaalsContact O-N 3.08Å
402	V	94.9	Very high	95.9	Very high	35 Å²	35	33.3 Å²	33.3	21%	0.212	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-68.2	-19.8	178.3	-49.4	0	0	0	0	113.1	I15 I398 P399 M400	I15-V402 HydrophobicContact CB-CB 4.43Å; I15-V402 HydrophobicContact CD1-CB 4.45Å; I15-V402 HydrophobicContact CD1-CG2 3.93Å; I15-V402 HydrophobicContact CG1-CB 4.42Å; I15-V402 HydrophobicContact CG1-CG2 4.36Å; I15-V402 HydrophobicContact CG2-CB 4.23Å; I398-V402 HydrophobicContact CG2-CG2 3.96Å; P399-V402 HydrophobicContact CB-CG1 4.21Å; P399-V402 WeakPolarHBondContact O-CG2 3.34Å; M400-V402 PolarHBondContact O-N 2.86Å; M400-V402 VanDerWaalsContact O-N 3.09Å
403	F	96.9	Very high	96.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-91	0.5	175.7	-57.4	-68.4	0	0	0	112.3	W16 P143 S144 P205 I398 M400 S401 R417	W16-F403 HydrophobicContact CH2-CE1 4.26Å; W16-F403 HydrophobicContact CH2-CZ 4Å; W16-F403 HydrophobicContact CZ2-CE1 4.09Å; W16-F403 HydrophobicContact CZ2-CZ 4.3Å; P143-F403 CarbonylContact C-O 3.53Å; P143-F403 VanDerWaalsContact CA-O 3.23Å; P143-F403 WeakPolarHBondContact CA-O 3.27Å; P143-F403 HydrophobicContact CB-CB 3.7Å; S144-F403 PolarHBondContact N-O 3.37Å; S144-F403 WeakPolarHBondContact O-CB 3.29Å; S144-F403 WeakPolarHBondContact O-CD1 3.31Å; S144-F403 PolarHBondContact OG-O 3.06Å; P205-F403 HydrophobicContact CB-CD2 3.97Å; P205-F403 HydrophobicContact CB-CE2 3.99Å; P205-F403 HydrophobicContact CB-CG 4.48Å; P205-F403 HydrophobicContact CG-CB 4.21Å; P205-F403 HydrophobicContact CG-CD2 3.68Å; P205-F403 HydrophobicContact CG-CE2 4.23Å; P205-F403 HydrophobicContact CG-CG 3.94Å; I398-F403 HydrophobicContact CB-CE2 4.39Å; I398-F403 HydrophobicContact CG2-CE2 3.58Å; I398-F403 HydrophobicContact CG2-CZ 3.7Å; M400-F403 WeakPolarHBondContact O-CB 3.34Å; M400-F403 PolarHBondContact O-N 2.92Å; M400-F403 HydrophobicContact SD-CD2 4.12Å; S401-F403 PolarHBondContact O-N 3.37Å; F403-R417 HydrophobicContact CE2-CB 4.47Å; F403-R417 VanDerWaalsContact CZ-NH1 3.32Å
404	Y	97.5	Very high	96.2	Very high	14 Å²	14	31.2 Å²	31.2	6%	0.055	17%	0.17	C	C	.	.	S	Bend	trans	-105.7	148.3	177.7	-74.8	-96.4	0	0	0	111.1	D142 P143 M400 S401 N408 L411	D142-Y404 HydrophobicContact CB-CD1 3.65Å; D142-Y404 HydrophobicContact CB-CE1 4.02Å; D142-Y404 HydrophobicContact CB-CG 4.49Å; P143-Y404 HydrophobicContact CB-CD2 4.01Å; P143-Y404 HydrophobicContact CB-CE1 4.36Å; P143-Y404 HydrophobicContact CB-CE2 3.62Å; P143-Y404 WeakPolarHBondContact CD-OH 3.42Å; P143-Y404 HydrophobicContact CG-CE2 4.15Å; M400-Y404 HydrophobicContact CE-CE2 4.2Å; M400-Y404 WeakPolarHBondContact O-CD2 3.45Å; S401-Y404 PolarHBondContact O-N 2.8Å; S401-Y404 VanDerWaalsContact O-N 3.08Å; Y404-N408 HydrophobicContact CD1-CB 3.81Å; Y404-N408 WeakPolarHBondContact CD1-O 3.35Å; Y404-L411 HydrophobicContact CD1-CB 4.1Å; Y404-L411 HydrophobicContact CE1-CB 3.65Å; Y404-L411 HydrophobicContact CE1-CD1 4.19Å
405	S	96.2	Very high	96.3	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.042	16%	0.162	C	C	.	.			trans	-56	154.2	163.4	65	0	0	0	0	111.7	D142 Y161 S407 N408 Q409	D142-S405 PolarHBondContact OD1-N 3.24Å; D142-S405 VanDerWaalsContact OD2-CB 3.25Å; D142-S405 WeakPolarHBondContact OD2-CB 3.19Å; D142-S405 PolarHBondContact OD2-N 3.31Å; D142-S405 PolarHBondContact OD2-OG 2.69Å; Y161-S405 VanDerWaalsContact CE2-CB 3.47Å; Y161-S405 VanDerWaalsContact CG-CB 3.4Å; S405-S407 PolarHBondContact O-N 3.1Å; S405-S407 VanDerWaalsContact O-N 3.15Å; S405-S407 PolarHBondContact OG-OG 3.03Å; S405-N408 CarbonylContact O-C 3.46Å; S405-N408 WeakPolarHBondContact O-CA 3.17Å; S405-N408 PolarHBondContact O-N 3.23Å; S405-N408 WeakPolarHBondContact OG-CB 3.37Å; S405-N408 PolarHBondContact OG-ND2 3.42Å; S405-Q409 WeakPolarHBondContact O-CG 3.39Å; S405-Q409 PolarHBondContact O-N 3.33Å
406	I	93.2	Very high	96.4	Very high	125 Å²	125	30.7 Å²	30.7	64%	0.641	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-51.9	-42.2	-179.4	-64.6	173.2	0	0	0	111.5	N408	I406-N408 VanDerWaalsContact C-N 3.28Å; I406-N408 PolarHBondContact O-N 2.92Å
407	S	95.1	Very high	96.5	Very high	79 Å²	79	30.7 Å²	30.7	55%	0.552	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-64.7	-29.2	178	42.6	0	0	0	0	113.7	S405 H410	S405-S407 PolarHBondContact O-N 3.1Å; S405-S407 VanDerWaalsContact O-N 3.15Å; S405-S407 PolarHBondContact OG-OG 3.03Å; S407-H410 PolarHBondContact O-CE1 3.48Å; S407-H410 VanDerWaalsContact O-CE1 3.23Å; S407-H410 PolarHBondContact O-ND1 3.44Å; S407-H410 VanDerWaalsContact O-ND1 3.14Å
408	N	97.2	Very high	96.6	Very high	24 Å²	24	30.7 Å²	30.7	13%	0.128	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-106.6	3.2	-175.9	-64.8	-25.7	0	0	0	113.6	D142 Y404 S405 I406 H410 L411	D142-N408 WeakPolarHBondContact OD2-CB 3.31Å; D142-N408 PolarHBondContact OD2-ND2 2.8Å; Y404-N408 HydrophobicContact CD1-CB 3.81Å; Y404-N408 WeakPolarHBondContact CD1-O 3.35Å; S405-N408 CarbonylContact O-C 3.46Å; S405-N408 WeakPolarHBondContact O-CA 3.17Å; S405-N408 PolarHBondContact O-N 3.23Å; S405-N408 WeakPolarHBondContact OG-CB 3.37Å; S405-N408 PolarHBondContact OG-ND2 3.42Å; I406-N408 VanDerWaalsContact C-N 3.28Å; I406-N408 PolarHBondContact O-N 2.92Å; N408-H410 PolarHBondContact O-N 2.74Å; N408-L411 HydrophobicContact CB-CD1 4.08Å; N408-L411 VanDerWaalsContact O-CB 3.3Å; N408-L411 WeakPolarHBondContact O-CB 3.23Å; N408-L411 PolarHBondContact O-N 3.08Å
409	Q	96	Very high	96.6	Very high	70 Å²	70	30.6 Å²	30.6	33%	0.327	16%	0.161	S	C	.	.	H	α-helix	trans	-53.1	-33.6	-178.1	-85.3	-178.4	-1.6	0	0	113.7	S405 L411 G412 S413	S405-Q409 WeakPolarHBondContact O-CG 3.39Å; S405-Q409 PolarHBondContact O-N 3.33Å; Q409-L411 PolarHBondContact O-N 2.97Å; Q409-G412 PolarHBondContact O-N 3.28Å; Q409-S413 PolarHBondContact O-N 3.01Å; Q409-S413 VanDerWaalsContact O-N 3.08Å
410	H	96.5	Very high	96.6	Very high	122 Å²	122	30.3 Å²	30.3	57%	0.565	16%	0.159	S	C	*	.	H	α-helix	trans	-61	-24.3	176.8	67.9	-84.1	0	0	0	113.6	S407 N408 G412 S413	S407-H410 PolarHBondContact O-CE1 3.48Å; S407-H410 VanDerWaalsContact O-CE1 3.23Å; S407-H410 PolarHBondContact O-ND1 3.44Å; S407-H410 VanDerWaalsContact O-ND1 3.14Å; N408-H410 PolarHBondContact O-N 2.74Å; H410-G412 VanDerWaalsContact C-N 3.35Å; H410-S413 PolarHBondContact O-OG 3.05Å; H410-S413 VanDerWaalsContact O-OG 3.13Å
411	L	97	Very high	96.5	Very high	43 Å²	43	30.4 Å²	30.4	23%	0.225	16%	0.16	C	C	.	.	H	α-helix	trans	-72.6	-30.1	175.4	-58.9	179.5	0	0	0	111.9	P163 Y404 N408 Q409 Y415	P163-L411 HydrophobicContact CB-CD1 3.65Å; P163-L411 HydrophobicContact CG-CD1 3.96Å; Y404-L411 HydrophobicContact CD1-CB 4.1Å; Y404-L411 HydrophobicContact CE1-CB 3.65Å; Y404-L411 HydrophobicContact CE1-CD1 4.19Å; N408-L411 HydrophobicContact CB-CD1 4.08Å; N408-L411 VanDerWaalsContact O-CB 3.3Å; N408-L411 WeakPolarHBondContact O-CB 3.23Å; N408-L411 PolarHBondContact O-N 3.08Å; Q409-L411 PolarHBondContact O-N 2.97Å; L411-Y415 WeakPolarHBondContact O-CD2 3.25Å; L411-Y415 WeakPolarHBondContact O-CE2 3.47Å
412	G	96.8	Very high	96.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-93	-15.1	178.6	0	0	0	0	0	114.5	M400 Q409 H410 K414 Y415	M400-G412 WeakPolarHBondContact CB-O 3.26Å; Q409-G412 PolarHBondContact O-N 3.28Å; H410-G412 VanDerWaalsContact C-N 3.35Å; G412-K414 PolarHBondContact O-N 2.65Å; G412-Y415 PolarHBondContact O-N 3.42Å
413	S	96.5	Very high	96.5	Very high	31 Å²	31	33.5 Å²	33.5	22%	0.217	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-6.7	-163.9	65.7	0	0	0	0	116	Y381 D382 Q409 H410	Y381-S413 WeakPolarHBondContact CB-O 3.49Å; D382-S413 WeakPolarHBondContact CB-O 3.29Å; D382-S413 PolarHBondContact N-O 2.6Å; D382-S413 WeakPolarHBondContact OD1-CA 3.43Å; Q409-S413 PolarHBondContact O-N 3.01Å; Q409-S413 VanDerWaalsContact O-N 3.08Å; H410-S413 PolarHBondContact O-OG 3.05Å; H410-S413 VanDerWaalsContact O-OG 3.13Å
414	K	96.1	Very high	96.4	Very high	73 Å²	73	37.3 Å²	37.3	32%	0.317	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	10.8	177.8	65.4	173.2	-180	140.7	0	113.6	D362 I363 G412	D362-K414 WeakPolarHBondContact CA-O 3.34Å; D362-K414 WeakPolarHBondContact OD2-CD 3.49Å; D362-K414 WeakPolarHBondContact OD2-CE 3.46Å; D362-K414 IonicContact OD2-NZ 3.25Å; D362-K414 PolarHBondContact OD2-NZ 3.28Å; I363-K414 WeakPolarHBondContact CG1-O 3.15Å; I363-K414 PolarHBondContact N-O 3.44Å; G412-K414 PolarHBondContact O-N 2.65Å
415	Y	97.7	Very high	96.3	Very high	9 Å²	9	39.7 Å²	39.7	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.4	-174.6	-63.1	-79.3	0	0	0	112.2	W179 V360 A361 D362 D382 M400 L411 G412	W179-Y415 HydrophobicContact CH2-CE1 4.32Å; W179-Y415 HydrophobicContact CZ2-CE1 4.32Å; V360-Y415 HydrophobicContact CG1-CD1 3.69Å; V360-Y415 HydrophobicContact CG1-CG 3.9Å; A361-Y415 WeakPolarHBondContact O-CA 3.33Å; D362-Y415 HydrophobicContact CB-CD1 3.85Å; D362-Y415 HydrophobicContact CB-CE1 3.63Å; D382-Y415 WeakPolarHBondContact CB-O 3.23Å; M400-Y415 WeakPolarHBondContact CB-O 3.15Å; M400-Y415 VanDerWaalsContact CG-CB 3.49Å; M400-Y415 PolarHBondContact N-O 3.5Å; L411-Y415 WeakPolarHBondContact O-CD2 3.25Å; L411-Y415 WeakPolarHBondContact O-CE2 3.47Å; G412-Y415 PolarHBondContact O-N 3.42Å
416	L	97.8	Very high	96.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.2	167	-64.5	-178	0	0	0	110.3	V360 A361 I363 D382 F385 N386 M389 A397 I398 F418	V360-L416 CarbonylContact C-O 3.56Å; V360-L416 WeakPolarHBondContact CA-O 3.41Å; A361-L416 PolarHBondContact N-O 3.07Å; A361-L416 PolarHBondContact O-N 3.06Å; I363-L416 HydrophobicContact CD1-CD1 4.48Å; I363-L416 HydrophobicContact CD1-CD2 4.43Å; I363-L416 HydrophobicContact CD1-CG 4.09Å; I363-L416 HydrophobicContact CG2-CD1 3.86Å; I363-L416 HydrophobicContact CG2-CG 3.92Å; D382-L416 HydrophobicContact CB-CD2 4.2Å; F385-L416 HydrophobicContact CD1-CD1 3.77Å; F385-L416 HydrophobicContact CE1-CD1 3.78Å; N386-L416 HydrophobicContact CB-CD2 3.92Å; M389-L416 HydrophobicContact CE-CD1 4Å; M389-L416 HydrophobicContact SD-CD1 4.32Å; A397-L416 HydrophobicContact CB-CB 4.01Å; A397-L416 HydrophobicContact CB-CD1 4.12Å; A397-L416 HydrophobicContact CB-CG 4.47Å; I398-L416 WeakPolarHBondContact O-CA 3.27Å; L416-F418 HydrophobicContact CB-CD2 4.36Å; L416-F418 HydrophobicContact CB-CE2 3.64Å; L416-F418 HydrophobicContact CB-CZ 4.04Å; L416-F418 HydrophobicContact CD1-CE2 4.45Å; L416-F418 HydrophobicContact CD1-CZ 4.05Å
417	R	98.2	Very high	96.5	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.7	169.7	-174.7	-159.6	81.3	176.8	1.1	110.1	G32 N204 P205 F358 L359 A397 I398 M400 F403	G32-R417 PolarHBondContact O-NH2 3.43Å; N204-R417 PolarHBondContact OD1-NH1 3.17Å; P205-R417 HydrophobicContact CB-CB 4.2Å; P205-R417 HydrophobicContact CB-CG 3.72Å; F358-R417 HydrophobicContact CB-CG 3.98Å; F358-R417 HydrophobicContact CD1-CG 4.19Å; F358-R417 VanDerWaalsContact CE1-CZ 3.4Å; F358-R417 HydrophobicContact CG-CG 4.25Å; L359-R417 CarbonylContact O-C 3.18Å; L359-R417 WeakPolarHBondContact O-CA 3.48Å; A397-R417 WeakPolarHBondContact CB-O 3.49Å; I398-R417 HydrophobicContact CB-CB 4.3Å; I398-R417 PolarHBondContact N-O 3.43Å; I398-R417 PolarHBondContact O-N 3.03Å; M400-R417 HydrophobicContact CG-CB 4.38Å; M400-R417 HydrophobicContact SD-CB 3.89Å; F403-R417 HydrophobicContact CE2-CB 4.47Å; F403-R417 VanDerWaalsContact CZ-NH1 3.32Å
418	F	98	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.2	173.2	-62	-94.7	0	0	0	111.1	L31 M339 L343 M348 F358 L359 A361 A397 L416	L31-F418 HydrophobicContact CB-CD1 4.04Å; L31-F418 HydrophobicContact CD1-CD1 4.07Å; L31-F418 CarbonylContact O-C 3.5Å; M339-F418 HydrophobicContact CE-CB 3.39Å; M339-F418 HydrophobicContact CE-CD1 3.59Å; M339-F418 HydrophobicContact CE-CG 3.61Å; M339-F418 HydrophobicContact SD-CB 4.29Å; L343-F418 HydrophobicContact CD1-CD2 3.94Å; L343-F418 HydrophobicContact CD1-CE2 4.08Å; L343-F418 HydrophobicContact CD1-CG 4.39Å; L343-F418 HydrophobicContact CD2-CZ 4.34Å; M348-F418 HydrophobicContact CE-CZ 4.22Å; M348-F418 HydrophobicContact SD-CE2 4.09Å; M348-F418 HydrophobicContact SD-CZ 3.93Å; F358-F418 CarbonylContact C-O 3.16Å; F358-F418 VanDerWaalsContact CA-O 3.23Å; F358-F418 WeakPolarHBondContact CA-O 3.5Å; L359-F418 HydrophobicContact CD1-CB 3.96Å; L359-F418 HydrophobicContact CD1-CD2 3.95Å; L359-F418 HydrophobicContact CD1-CG 4.34Å; L359-F418 HydrophobicContact CG-CB 4.24Å; L359-F418 PolarHBondContact N-O 3.12Å; L359-F418 PolarHBondContact O-N 3.04Å; A361-F418 HydrophobicContact CB-CD2 4.41Å; A361-F418 HydrophobicContact CB-CE2 4.01Å; A397-F418 HydrophobicContact CB-CD1 3.77Å; A397-F418 HydrophobicContact CB-CE1 3.56Å; A397-F418 HydrophobicContact CB-CE2 4.33Å; A397-F418 HydrophobicContact CB-CG 4.26Å; A397-F418 HydrophobicContact CB-CZ 3.86Å; L416-F418 HydrophobicContact CB-CD2 4.36Å; L416-F418 HydrophobicContact CB-CE2 3.64Å; L416-F418 HydrophobicContact CB-CZ 4.04Å; L416-F418 HydrophobicContact CD1-CE2 4.45Å; L416-F418 HydrophobicContact CD1-CZ 4.05Å
419	C	97.6	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.8	169.3	-175.9	0	0	0	0	109.2	L31 Y357 F358 K422	L31-C419 WeakPolarHBondContact O-CB 3.34Å; L31-C419 PolarHBondContact O-N 2.63Å; Y357-C419 WeakPolarHBondContact O-CA 2.76Å; F358-C419 HydrophobicContact CD1-CB 3.9Å; F358-C419 HydrophobicContact CE1-CB 3.91Å; C419-K422 PolarHBondContact SG-NZ 2.77Å
420	F	96.2	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.			trans	-104.6	1.6	-179.2	60.8	-91	0	0	0	113.3	F240 I332 K335 G336 M339 P353 Y357 F358 L359 K422	F240-F420 HydrophobicContact CE2-CE2 4.34Å; F240-F420 AromaticContact CE2-CZ 3.89Å; F240-F420 HydrophobicContact CE2-CZ 3.89Å; F240-F420 HydrophobicContact CZ-CE2 4.03Å; F240-F420 AromaticContact CZ-CZ 3.92Å; F240-F420 HydrophobicContact CZ-CZ 3.92Å; I332-F420 HydrophobicContact CG2-CD2 3.82Å; I332-F420 HydrophobicContact CG2-CE2 3.29Å; I332-F420 HydrophobicContact CG2-CZ 4.2Å; I332-F420 WeakPolarHBondContact O-CE2 3.41Å; K335-F420 HydrophobicContact CB-CD2 4.34Å; G336-F420 VanDerWaalsContact CA-CD2 3.45Å; M339-F420 HydrophobicContact CB-CB 4.48Å; M339-F420 HydrophobicContact SD-CB 3.6Å; M339-F420 VanDerWaalsContact SD-CB 3.6Å; P353-F420 HydrophobicContact CB-CE1 4.49Å; P353-F420 HydrophobicContact CG-CE1 3.61Å; P353-F420 HydrophobicContact CG-CZ 3.66Å; Y357-F420 VanDerWaalsContact C-CD1 3.4Å; Y357-F420 VanDerWaalsContact CA-CE1 3.47Å; Y357-F420 VanDerWaalsContact CA-CZ 3.44Å; Y357-F420 WeakPolarHBondContact O-CD1 3.43Å; Y357-F420 WeakPolarHBondContact O-CE1 3.38Å; Y357-F420 PolarHBondContact O-N 3.43Å; F358-F420 VanDerWaalsContact C-CE1 3.47Å; F358-F420 VanDerWaalsContact N-CE1 3.29Å; L359-F420 HydrophobicContact CB-CD1 4.28Å; L359-F420 HydrophobicContact CB-CE1 4.28Å; L359-F420 HydrophobicContact CD2-CD1 3.85Å; L359-F420 HydrophobicContact CD2-CE1 4.45Å; L359-F420 HydrophobicContact CD2-CG 4.45Å; L359-F420 HydrophobicContact CG-CD1 4.11Å; F420-K422 PolarHBondContact O-N 3.11Å
421	F	95.4	Very high	96.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	16%	0.156	C	C	.	.			trans	-79.4	80.5	167.8	-166.6	-169.2	0	0	0	109.6	P36 I38 S269 M328 I332 Y357	P36-F421 HydrophobicContact CB-CD1 3.7Å; P36-F421 HydrophobicContact CB-CD2 4.19Å; P36-F421 HydrophobicContact CB-CE1 3.76Å; P36-F421 HydrophobicContact CB-CE2 4.21Å; P36-F421 HydrophobicContact CB-CG 3.97Å; P36-F421 HydrophobicContact CB-CZ 4.01Å; P36-F421 HydrophobicContact CG-CD1 3.95Å; P36-F421 HydrophobicContact CG-CE1 3.79Å; P36-F421 HydrophobicContact CG-CZ 4.35Å; I38-F421 HydrophobicContact CD1-CD2 4.29Å; I38-F421 HydrophobicContact CD1-CE2 3.36Å; I38-F421 HydrophobicContact CD1-CZ 3.87Å; I38-F421 HydrophobicContact CG1-CE2 3.93Å; I38-F421 HydrophobicContact CG1-CZ 4.28Å; S269-F421 VanDerWaalsContact OG-CE1 3.23Å; S269-F421 WeakPolarHBondContact OG-CE1 3.44Å; S269-F421 WeakPolarHBondContact OG-CZ 3.48Å; M328-F421 HydrophobicContact CG-CZ 4.29Å; M328-F421 HydrophobicContact SD-CE1 4.26Å; M328-F421 HydrophobicContact SD-CZ 4.4Å; I332-F421 HydrophobicContact CD1-CB 4.37Å; I332-F421 HydrophobicContact CD1-CD1 3.73Å; I332-F421 HydrophobicContact CD1-CD2 3.51Å; I332-F421 HydrophobicContact CD1-CE1 3.59Å; I332-F421 HydrophobicContact CD1-CE2 3.4Å; I332-F421 HydrophobicContact CD1-CG 3.65Å; I332-F421 HydrophobicContact CD1-CZ 3.44Å; I332-F421 VanDerWaalsContact CD1-CZ 3.44Å; I332-F421 HydrophobicContact CG1-CD2 3.6Å; I332-F421 HydrophobicContact CG1-CE2 3.6Å; I332-F421 HydrophobicContact CG1-CG 4.14Å; I332-F421 HydrophobicContact CG1-CZ 4.15Å; Y357-F421 HydrophobicContact CD2-CB 3.61Å; Y357-F421 AromaticContact CD2-CD1 3.38Å; Y357-F421 HydrophobicContact CD2-CD1 3.38Å; Y357-F421 HydrophobicContact CD2-CE1 4.34Å; Y357-F421 AromaticContact CD2-CG 3.96Å; Y357-F421 HydrophobicContact CD2-CG 3.96Å; Y357-F421 HydrophobicContact CE2-CB 4.47Å; Y357-F421 AromaticContact CE2-CD1 3.8Å; Y357-F421 HydrophobicContact CE2-CD1 3.8Å; Y357-F421 HydrophobicContact CG-CB 3.86Å; Y357-F421 HydrophobicContact CG-CD1 4.42Å
422	K	95.2	Very high	96.5	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.035	17%	0.166	C	C	.	.	S	Bend	trans	-142.5	164.3	-178.6	-61.3	-69.4	177.3	-82.1	0	110.8	N30 L31 Q33 F35 D37 K335 C419 F420 T426 L427	N30-K422 VanDerWaalsContact O-CE 3.23Å; N30-K422 WeakPolarHBondContact O-CE 3.38Å; L31-K422 HydrophobicContact CD2-CG 4.16Å; Q33-K422 PolarHBondContact O-NZ 2.81Å; F35-K422 PolarHBondContact O-NZ 2.75Å; D37-K422 HydrophobicContact CB-CD 4.33Å; D37-K422 VanDerWaalsContact OD1-C 3.24Å; D37-K422 WeakPolarHBondContact OD1-CA 3.35Å; D37-K422 WeakPolarHBondContact OD2-CD 3.47Å; K335-K422 PolarHBondContact NZ-O 2.76Å; K335-K422 VanDerWaalsContact NZ-O 3.17Å; C419-K422 PolarHBondContact SG-NZ 2.77Å; F420-K422 PolarHBondContact O-N 3.11Å; K422-T426 HydrophobicContact CB-CG2 4.12Å; K422-T426 HydrophobicContact CD-CG2 4.31Å; K422-T426 HydrophobicContact CG-CG2 4.26Å; K422-L427 HydrophobicContact CB-CD2 3.88Å; K422-L427 HydrophobicContact CB-CG 3.97Å; K422-L427 HydrophobicContact CG-CD2 4.23Å
423	E	94.8	Very high	96.3	Very high	94 Å²	94	33.4 Å²	33.4	44%	0.439	18%	0.179	S	C	.	.			trans	-57.6	148	165.9	-70.1	-163	135.2	0	0	110.7	D37 I38 S425 T426 L427	D37-E423 PolarHBondContact OD1-N 2.95Å; D37-E423 PolarHBondContact OD2-N 3.49Å; I38-E423 HydrophobicContact CG2-CG 3.51Å; E423-S425 VanDerWaalsContact CB-OG 3.27Å; E423-S425 WeakPolarHBondContact CB-OG 3.47Å; E423-S425 PolarHBondContact O-N 2.9Å; E423-S425 PolarHBondContact OE2-OG 3.06Å; E423-T426 WeakPolarHBondContact O-CB 3.39Å; E423-T426 PolarHBondContact O-N 3.35Å; E423-T426 VanDerWaalsContact O-N 3.16Å; E423-L427 PolarHBondContact O-N 2.96Å; E423-L427 VanDerWaalsContact O-N 3.11Å
424	D	94.8	Very high	96.1	Very high	82 Å²	82	32 Å²	32	44%	0.439	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-33.6	177.4	-67.7	-52.3	0	0	0	111.8	K335 L427 N428	K335-D424 IonicContact NZ-OD1 2.63Å; K335-D424 PolarHBondContact NZ-OD1 3.21Å; K335-D424 IonicContact NZ-OD2 2.97Å; K335-D424 PolarHBondContact NZ-OD2 3.18Å; D424-L427 PolarHBondContact O-N 3.23Å; D424-N428 WeakPolarHBondContact O-CB 3.25Å; D424-N428 PolarHBondContact O-N 3.12Å; D424-N428 PolarHBondContact O-ND2 3.27Å
425	S	95.9	Very high	95.9	Very high	63 Å²	63	34.3 Å²	34.3	44%	0.441	18%	0.18	S	C	.	.	H	α-helix	trans	-54.6	-52.9	171.3	50.8	0	0	0	0	111.1	E423 L427 N428 S429	E423-S425 VanDerWaalsContact CB-OG 3.27Å; E423-S425 WeakPolarHBondContact CB-OG 3.47Å; E423-S425 PolarHBondContact O-N 2.9Å; E423-S425 PolarHBondContact OE2-OG 3.06Å; S425-L427 PolarHBondContact O-N 2.87Å; S425-N428 PolarHBondContact O-N 3.17Å; S425-S429 WeakPolarHBondContact O-CB 3.13Å; S425-S429 PolarHBondContact O-N 3.07Å; S425-S429 PolarHBondContact O-OG 3.38Å; S425-S429 VanDerWaalsContact O-OG 3.13Å
426	T	96.4	Very high	95.4	Very high	28 Å²	28	41.7 Å²	41.7	17%	0.172	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-48.7	178.9	-57	0	0	0	0	111.8	I29 L31 D37 K422 E423 A430	I29-T426 HydrophobicContact CG2-CG2 3.76Å; L31-T426 HydrophobicContact CD2-CG2 4.18Å; D37-T426 WeakPolarHBondContact OD2-CB 3.39Å; D37-T426 PolarHBondContact OD2-OG1 3.14Å; K422-T426 HydrophobicContact CB-CG2 4.12Å; K422-T426 HydrophobicContact CD-CG2 4.31Å; K422-T426 HydrophobicContact CG-CG2 4.26Å; E423-T426 WeakPolarHBondContact O-CB 3.39Å; E423-T426 PolarHBondContact O-N 3.35Å; E423-T426 VanDerWaalsContact O-N 3.16Å; T426-A430 PolarHBondContact O-N 2.99Å
427	L	96.3	Very high	94.2	Very high	11 Å²	11	46.2 Å²	46.2	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-41.5	179.5	-63.3	177.6	0	0	0	112.1	L31 K335 M339 K422 E423 D424 S425 Y431	L31-L427 HydrophobicContact CD2-CD2 4.02Å; K335-L427 HydrophobicContact CB-CD1 4.04Å; K335-L427 HydrophobicContact CD-CD1 4.43Å; K335-L427 HydrophobicContact CG-CD1 4.25Å; M339-L427 HydrophobicContact SD-CD2 4.12Å; K422-L427 HydrophobicContact CB-CD2 3.88Å; K422-L427 HydrophobicContact CB-CG 3.97Å; K422-L427 HydrophobicContact CG-CD2 4.23Å; E423-L427 PolarHBondContact O-N 2.96Å; E423-L427 VanDerWaalsContact O-N 3.11Å; D424-L427 PolarHBondContact O-N 3.23Å; S425-L427 PolarHBondContact O-N 2.87Å; L427-Y431 WeakPolarHBondContact O-CB 3.38Å; L427-Y431 PolarHBondContact O-N 2.68Å; L427-Y431 VanDerWaalsContact O-N 3.08Å
428	N	96.4	Very high	94	Very high	70 Å²	70	48.4 Å²	48.4	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-66	-46.9	178.5	-71.3	-27.1	0	0	0	111.1	K342 D424 S425 A430 Y431 E432	K342-N428 PolarHBondContact NZ-OD1 3.39Å; D424-N428 WeakPolarHBondContact O-CB 3.25Å; D424-N428 PolarHBondContact O-N 3.12Å; D424-N428 PolarHBondContact O-ND2 3.27Å; S425-N428 PolarHBondContact O-N 3.17Å; N428-A430 VanDerWaalsContact C-N 3.35Å; N428-A430 PolarHBondContact O-N 2.94Å; N428-Y431 PolarHBondContact O-N 2.67Å; N428-E432 WeakPolarHBondContact O-CG 3.47Å; N428-E432 PolarHBondContact O-N 3Å
429	S	96.4	Very high	93.8	Very high	61 Å²	61	50.9 Å²	50.9	43%	0.427	25%	0.252	S	S	.	.	H	α-helix	trans	-61.3	-41.6	178	-65.6	0	0	0	0	112.4	I29 S425 E432 I433	I29-S429 VanDerWaalsContact CD1-CB 3.47Å; S425-S429 WeakPolarHBondContact O-CB 3.13Å; S425-S429 PolarHBondContact O-N 3.07Å; S425-S429 PolarHBondContact O-OG 3.38Å; S425-S429 VanDerWaalsContact O-OG 3.13Å; S429-E432 PolarHBondContact O-N 3.41Å; S429-I433 WeakPolarHBondContact O-CG1 3.49Å; S429-I433 PolarHBondContact O-N 3.38Å; S429-I433 VanDerWaalsContact O-N 3.15Å
430	A	96.4	Very high	93.6	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-43	175.4	0	0	0	0	0	112.2	I29 L31 V395 T426 N428 I433 L434	I29-A430 HydrophobicContact CB-CB 4.49Å; I29-A430 HydrophobicContact CG2-CB 3.96Å; L31-A430 HydrophobicContact CD1-CB 3.51Å; L31-A430 HydrophobicContact CD2-CB 4.39Å; L31-A430 HydrophobicContact CG-CB 4.13Å; V395-A430 HydrophobicContact CG1-CB 4.22Å; V395-A430 HydrophobicContact CG2-CB 4.16Å; T426-A430 PolarHBondContact O-N 2.99Å; N428-A430 VanDerWaalsContact C-N 3.35Å; N428-A430 PolarHBondContact O-N 2.94Å; A430-I433 PolarHBondContact O-N 3.3Å; A430-L434 VanDerWaalsContact O-CG 3.32Å; A430-L434 WeakPolarHBondContact O-CG 3.49Å; A430-L434 PolarHBondContact O-N 3.1Å
431	Y	96.2	Very high	93.4	Very high	19 Å²	19	56.9 Å²	56.9	8%	0.075	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-44.8	176.2	170	-105.2	0	0	0	112.3	K342 E345 I346 L427 N428 I433 L434 K435	K342-Y431 HydrophobicContact CB-CD2 3.4Å; K342-Y431 HydrophobicContact CB-CE2 3.6Å; K342-Y431 HydrophobicContact CB-CG 4.1Å; K342-Y431 HydrophobicContact CD-CD1 4.04Å; K342-Y431 HydrophobicContact CD-CD2 3.84Å; K342-Y431 HydrophobicContact CD-CE2 4.33Å; K342-Y431 HydrophobicContact CD-CG 3.64Å; K342-Y431 HydrophobicContact CG-CD1 4.3Å; K342-Y431 HydrophobicContact CG-CD2 3.59Å; K342-Y431 HydrophobicContact CG-CE1 4.37Å; K342-Y431 HydrophobicContact CG-CE2 3.65Å; K342-Y431 HydrophobicContact CG-CG 3.9Å; K342-Y431 WeakPolarHBondContact O-CE2 3.34Å; E345-Y431 PolarHBondContact OE2-OH 2.94Å; I346-Y431 HydrophobicContact CD1-CD2 3.63Å; I346-Y431 HydrophobicContact CD1-CE2 3.89Å; I346-Y431 HydrophobicContact CG1-CD2 4.39Å; I346-Y431 HydrophobicContact CG1-CE2 4.16Å; L427-Y431 WeakPolarHBondContact O-CB 3.38Å; L427-Y431 PolarHBondContact O-N 2.68Å; L427-Y431 VanDerWaalsContact O-N 3.08Å; N428-Y431 PolarHBondContact O-N 2.67Å; Y431-I433 PolarHBondContact O-N 2.8Å; Y431-L434 CarbonylContact O-C 3.57Å; Y431-L434 PolarHBondContact O-N 3.18Å; Y431-L434 VanDerWaalsContact O-N 3.14Å; Y431-K435 HydrophobicContact CE1-CD 3.9Å; Y431-K435 HydrophobicContact CE2-CB 4.48Å; Y431-K435 VanDerWaalsContact O-CB 3.28Å; Y431-K435 WeakPolarHBondContact O-CB 3.47Å; Y431-K435 PolarHBondContact O-N 2.8Å; Y431-K435 PolarHBondContact OH-NZ 2.88Å; Y431-K435 VanDerWaalsContact OH-NZ 3.12Å
432	E	96.5	Very high	93.3	Very high	94 Å²	94	60.4 Å²	60.4	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-33.5	178.7	-71	-53.9	135.7	0	0	112.6	N428 S429 K436	N428-E432 WeakPolarHBondContact O-CG 3.47Å; N428-E432 PolarHBondContact O-N 3Å; S429-E432 PolarHBondContact O-N 3.41Å; E432-K436 WeakPolarHBondContact O-CG 3.48Å
433	I	94.6	Very high	93.2	Very high	53 Å²	53	63.9 Å²	63.9	27%	0.272	32%	0.317	S	S	.	.	H	α-helix	trans	-68.5	-48.9	172.7	-71.6	174.2	0	0	0	110.9	I29 K393 V395 S429 A430 Y431 K435 K436	I29-I433 HydrophobicContact CD1-CD1 3.66Å; I29-I433 HydrophobicContact CG1-CD1 4.32Å; K393-I433 HydrophobicContact CB-CG2 4.13Å; K393-I433 WeakPolarHBondContact O-CG2 3.32Å; V395-I433 HydrophobicContact CG2-CB 4.01Å; V395-I433 HydrophobicContact CG2-CD1 4.32Å; V395-I433 HydrophobicContact CG2-CG2 3.69Å; S429-I433 WeakPolarHBondContact O-CG1 3.49Å; S429-I433 PolarHBondContact O-N 3.38Å; S429-I433 VanDerWaalsContact O-N 3.15Å; A430-I433 PolarHBondContact O-N 3.3Å; Y431-I433 PolarHBondContact O-N 2.8Å; I433-K435 VanDerWaalsContact C-N 3.31Å; I433-K435 PolarHBondContact O-N 2.66Å; I433-K436 PolarHBondContact O-N 2.66Å
434	L	92.1	Very high	93.1	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-70.2	-25.8	-178.4	-67	173	0	0	0	112.8	L343 I346 M389 V395 A430 Y431 K436 W437	L343-L434 HydrophobicContact CD2-CD1 4.35Å; I346-L434 HydrophobicContact CD1-CB 3.5Å; I346-L434 VanDerWaalsContact CD1-CB 3.5Å; I346-L434 HydrophobicContact CD1-CD1 4.45Å; I346-L434 HydrophobicContact CG1-CB 4.47Å; M389-L434 HydrophobicContact CG-CD2 4.1Å; M389-L434 HydrophobicContact SD-CD2 3.78Å; V395-L434 HydrophobicContact CB-CD2 4.17Å; V395-L434 HydrophobicContact CB-CG 4.38Å; V395-L434 HydrophobicContact CG1-CD1 4.24Å; V395-L434 HydrophobicContact CG1-CG 4.46Å; V395-L434 HydrophobicContact CG2-CD2 4.3Å; V395-L434 HydrophobicContact CG2-CG 4.12Å; A430-L434 VanDerWaalsContact O-CG 3.32Å; A430-L434 WeakPolarHBondContact O-CG 3.49Å; A430-L434 PolarHBondContact O-N 3.1Å; Y431-L434 CarbonylContact O-C 3.57Å; Y431-L434 PolarHBondContact O-N 3.18Å; Y431-L434 VanDerWaalsContact O-N 3.14Å; L434-K436 VanDerWaalsContact C-N 3.33Å; L434-W437 WeakPolarHBondContact O-CB 3.14Å; L434-W437 PolarHBondContact O-N 3.12Å
435	K	91.8	Very high	92.9	Very high	121 Å²	121	60.2 Å²	60.2	53%	0.526	30%	0.298	S	S	.	.	H	α-helix	trans	-72.5	-28.3	176.6	-173.5	179.9	-170.3	159.2	0	112.8	Y431 I433 W437	Y431-K435 HydrophobicContact CE1-CD 3.9Å; Y431-K435 HydrophobicContact CE2-CB 4.48Å; Y431-K435 VanDerWaalsContact O-CB 3.28Å; Y431-K435 WeakPolarHBondContact O-CB 3.47Å; Y431-K435 PolarHBondContact O-N 2.8Å; Y431-K435 PolarHBondContact OH-NZ 2.88Å; Y431-K435 VanDerWaalsContact OH-NZ 3.12Å; I433-K435 VanDerWaalsContact C-N 3.31Å; I433-K435 PolarHBondContact O-N 2.66Å; K435-W437 PolarHBondContact O-N 3.2Å
436	K	85.8	Confident	92.7	Very high	164 Å²	164	59.9 Å²	59.9	71%	0.713	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	12	171.3	-65	171.6	-174.7	178	0	112.2	E432 I433 L434	E432-K436 WeakPolarHBondContact O-CG 3.48Å; I433-K436 PolarHBondContact O-N 2.66Å; L434-K436 VanDerWaalsContact C-N 3.33Å
437	W	73.3	Confident	92.3	Very high	94 Å²	94	62.8 Å²	62.8	36%	0.356	30%	0.297	S	S	.	.			trans	-46.3	0	178	-180	-56.7	0	0	0	111	I346 L366 V368 F385 W388 K393 L434 K435	I346-W437 HydrophobicContact CG2-CE3 4.41Å; L366-W437 HydrophobicContact CB-CH2 3.93Å; L366-W437 HydrophobicContact CB-CZ2 3.9Å; L366-W437 HydrophobicContact CB-CZ3 4.5Å; L366-W437 HydrophobicContact CD1-CE3 4.13Å; L366-W437 HydrophobicContact CD1-CH2 3.93Å; L366-W437 HydrophobicContact CD1-CZ2 4.5Å; L366-W437 HydrophobicContact CD1-CZ3 3.67Å; L366-W437 HydrophobicContact CG-CH2 4.47Å; V368-W437 HydrophobicContact CG2-CH2 4.02Å; V368-W437 HydrophobicContact CG2-CZ2 3.79Å; F385-W437 AromaticContact CE1-CH2 3.96Å; F385-W437 HydrophobicContact CE1-CH2 3.96Å; F385-W437 HydrophobicContact CE1-CZ3 4.07Å; F385-W437 AromaticContact CE2-CH2 3.42Å; F385-W437 HydrophobicContact CE2-CH2 3.42Å; F385-W437 VanDerWaalsContact CE2-CH2 3.42Å; F385-W437 HydrophobicContact CE2-CZ2 4.21Å; F385-W437 HydrophobicContact CE2-CZ3 4.26Å; F385-W437 AromaticContact CZ-CH2 3.09Å; F385-W437 HydrophobicContact CZ-CH2 3.09Å; F385-W437 HydrophobicContact CZ-CZ2 4.23Å; F385-W437 AromaticContact CZ-CZ3 3.48Å; F385-W437 HydrophobicContact CZ-CZ3 3.48Å; F385-W437 VanDerWaalsContact CZ-CZ3 3.48Å; W388-W437 HydrophobicContact CE3-CH2 4.44Å; W388-W437 HydrophobicContact CH2-CH2 4.04Å; W388-W437 AromaticContact CH2-CZ2 3.88Å; W388-W437 HydrophobicContact CH2-CZ2 3.88Å; W388-W437 AromaticContact CZ3-CH2 3.49Å; W388-W437 HydrophobicContact CZ3-CH2 3.49Å; W388-W437 VanDerWaalsContact CZ3-CH2 3.49Å; W388-W437 AromaticContact CZ3-CZ2 3.82Å; W388-W437 HydrophobicContact CZ3-CZ2 3.82Å; W388-W437 HydrophobicContact CZ3-CZ3 4.03Å; K393-W437 PolarHBondContact NZ-OXT 2.99Å; L434-W437 WeakPolarHBondContact O-CB 3.14Å; L434-W437 PolarHBondContact O-N 3.12Å; K435-W437 PolarHBondContact O-N 3.2Å

Retrieved 437 of 437 residues in 570.9 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).