A0A077ZJ80_TRITR Loading...

PGM PMM I and PGM PMM II and PGM PMM IV and PGM P MM III domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ80, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 546 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.6	Low	89.1	Confident	200 Å²	200	84.6 Å²	84.6	99%	0.985	48%	0.483	S	S	*	.				0	145.2	0	-79.9	172.4	-166.7	0	0	108.5
2	A	61.5	Low	89.9	Confident	101 Å²	101	85.8 Å²	85.8	84%	0.835	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-67.2	130.5	170	0	0	0	0	0	108.9
3	I	85.4	Confident	90.6	Very high	122 Å²	122	90.2 Å²	90.2	63%	0.626	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-67.9	133.5	175.2	-63.4	174.8	0	0	0	107.9	A7	I3-A7 HydrophobicContact CG2-CB 3.48Å; I3-A7 VanDerWaalsContact CG2-CB 3.48Å
4	H	93.9	Very high	91.2	Very high	77 Å²	77	90.6 Å²	90.6	36%	0.356	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-61.7	143.3	178.6	-178.3	-95.6	0	0	0	111.1	R6 A7 K273 D274 G275	H4-R6 PolarHBondContact ND1-N 3.31Å; H4-R6 VanDerWaalsContact ND1-N 3.11Å; H4-R6 PolarHBondContact O-N 3.43Å; H4-A7 HydrophobicContact CB-CB 4.47Å; H4-A7 VanDerWaalsContact O-CB 3.28Å; H4-A7 WeakPolarHBondContact O-CB 3.28Å; H4-A7 PolarHBondContact O-N 3.44Å; H4-K273 WeakPolarHBondContact CB-O 3.49Å; H4-K273 PolarHBondContact N-O 3.12Å; H4-D274 VanDerWaalsContact CB-C 3.41Å; H4-G275 WeakPolarHBondContact ND1-CA 3.26Å
5	N	97	Very high	91.6	Very high	153 Å²	153	87.6 Å²	87.6	82%	0.818	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.7	-174.5	-69.1	-11.7	0	0	0	114.5	Q9	N5-Q9 PolarHBondContact O-NE2 3.31Å
6	R	98	Very high	92.1	Very high	49 Å²	49	83.9 Å²	83.9	19%	0.185	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	12.1	175.9	-58.1	-165.9	-59.8	124.1	3.5	114.6	H4 G8 Q9 D15 L271	H4-R6 PolarHBondContact ND1-N 3.31Å; H4-R6 VanDerWaalsContact ND1-N 3.11Å; H4-R6 PolarHBondContact O-N 3.43Å; R6-G8 PolarHBondContact O-N 3.24Å; R6-Q9 HydrophobicContact CB-CB 4.42Å; R6-Q9 HydrophobicContact CB-CG 4.39Å; R6-Q9 WeakPolarHBondContact O-CB 3.31Å; R6-Q9 PolarHBondContact O-N 2.77Å; R6-Q9 VanDerWaalsContact O-N 3.08Å; R6-D15 IonicContact CZ-OD1 2.93Å; R6-D15 IonicContact CZ-OD2 2.79Å; R6-D15 IonicContact NH1-OD1 3.96Å; R6-D15 IonicContact NH1-OD2 3.9Å; R6-D15 PolarHBondContact NH1-OD2 3.46Å; R6-D15 IonicContact NH2-OD1 2.77Å; R6-D15 PolarHBondContact NH2-OD1 3.07Å; R6-D15 IonicContact NH2-OD2 3.34Å; R6-D15 PolarHBondContact NH2-OD2 3.3Å; R6-L271 HydrophobicContact CB-CD1 3.96Å; R6-L271 VanDerWaalsContact CZ-CD1 3.43Å; R6-L271 VanDerWaalsContact NH1-CD1 3.32Å
7	A	97.8	Very high	92.5	Very high	23 Å²	23	81.2 Å²	81.2	19%	0.19	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	135.2	175.4	0	0	0	0	0	110.7	I3 H4 Q9	I3-A7 HydrophobicContact CG2-CB 3.48Å; I3-A7 VanDerWaalsContact CG2-CB 3.48Å; H4-A7 HydrophobicContact CB-CB 4.47Å; H4-A7 VanDerWaalsContact O-CB 3.28Å; H4-A7 WeakPolarHBondContact O-CB 3.28Å; H4-A7 PolarHBondContact O-N 3.44Å; A7-Q9 VanDerWaalsContact C-N 3.25Å; A7-Q9 PolarHBondContact O-N 3.41Å
8	G	97.6	Very high	92.8	Very high	24 Å²	24	81.8 Å²	81.8	25%	0.247	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	5.9	-177.4	0	0	0	0	0	115.3	R6 H270 L271	R6-G8 PolarHBondContact O-N 3.24Å; G8-H270 PolarHBondContact O-CD2 2.93Å; G8-H270 VanDerWaalsContact O-CD2 3.27Å; G8-L271 PolarHBondContact N-O 3.34Å
9	Q	98.6	Very high	93.1	Very high	82 Å²	82	78.9 Å²	78.9	38%	0.383	44%	0.44	S	S	.	.	S	Bend	trans	-92	153.2	172.8	-59.7	179.9	15.4	0	0	110.8	N5 R6 A7 H270 L271	N5-Q9 PolarHBondContact O-NE2 3.31Å; R6-Q9 HydrophobicContact CB-CB 4.42Å; R6-Q9 HydrophobicContact CB-CG 4.39Å; R6-Q9 WeakPolarHBondContact O-CB 3.31Å; R6-Q9 PolarHBondContact O-N 2.77Å; R6-Q9 VanDerWaalsContact O-N 3.08Å; A7-Q9 VanDerWaalsContact C-N 3.25Å; A7-Q9 PolarHBondContact O-N 3.41Å; Q9-H270 CarbonylContact O-C 3.59Å; Q9-H270 VanDerWaalsContact O-CA 3.31Å; Q9-H270 WeakPolarHBondContact O-CA 3.44Å; Q9-L271 PolarHBondContact O-N 2.79Å
10	P	98.7	Very high	93.4	Very high	81 Å²	81	78.7 Å²	78.7	53%	0.526	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-56.2	142.1	171.6	-23.8	33.6	0	0	0	112.3
11	A	98.5	Very high	93.7	Very high	19 Å²	19	80.1 Å²	80.1	16%	0.157	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-58.6	141.9	174.4	0	0	0	0	0	111.7	L16 M269 L271 I277	A11-L16 HydrophobicContact CB-CD2 4.32Å; A11-M269 PolarHBondContact N-O 2.95Å; A11-L271 HydrophobicContact CB-CD2 4.06Å; A11-I277 HydrophobicContact CB-CD1 3.85Å; A11-I277 HydrophobicContact CB-CG1 4.17Å
12	Q	98.7	Very high	95.8	Very high	98 Å²	98	71 Å²	71	46%	0.458	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-101.6	162.6	175.7	-65.2	-178.8	5.8	0	0	110.5	S14 D15	Q12-S14 PolarHBondContact O-N 2.8Å; Q12-S14 VanDerWaalsContact O-N 3.09Å; Q12-D15 PolarHBondContact N-OD2 3.27Å; Q12-D15 VanDerWaalsContact O-CB 3.32Å; Q12-D15 WeakPolarHBondContact O-CB 3.34Å; Q12-D15 PolarHBondContact O-N 3.06Å
13	Q	98.6	Very high	97.6	Very high	143 Å²	143	67.9 Å²	67.9	67%	0.668	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-55.9	-30.2	178.2	-171.3	61	36.4	0	0	113.3	D15 L16	Q13-D15 PolarHBondContact O-N 3.26Å; Q13-L16 PolarHBondContact O-N 3.02Å
14	S	98.3	Very high	98.3	Very high	97 Å²	97	64.2 Å²	64.2	68%	0.678	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-71.8	-15.4	176.7	54.5	0	0	0	0	114.4	Q12	Q12-S14 PolarHBondContact O-N 2.8Å; Q12-S14 VanDerWaalsContact O-N 3.09Å
15	D	98.3	Very high	98.5	Very high	45 Å²	45	62.6 Å²	62.6	24%	0.241	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-89	-12.2	-178.6	-54.2	-31.4	0	0	0	111.7	R6 Q12 Q13 I277	R6-D15 IonicContact CZ-OD1 2.93Å; R6-D15 IonicContact CZ-OD2 2.79Å; R6-D15 IonicContact NH1-OD1 3.96Å; R6-D15 IonicContact NH1-OD2 3.9Å; R6-D15 PolarHBondContact NH1-OD2 3.46Å; R6-D15 IonicContact NH2-OD1 2.77Å; R6-D15 PolarHBondContact NH2-OD1 3.07Å; R6-D15 IonicContact NH2-OD2 3.34Å; R6-D15 PolarHBondContact NH2-OD2 3.3Å; Q12-D15 PolarHBondContact N-OD2 3.27Å; Q12-D15 VanDerWaalsContact O-CB 3.32Å; Q12-D15 WeakPolarHBondContact O-CB 3.34Å; Q12-D15 PolarHBondContact O-N 3.06Å; Q13-D15 PolarHBondContact O-N 3.26Å; D15-I277 HydrophobicContact CB-CD1 4.25Å
16	L	98.8	Very high	98.6	Very high	29 Å²	29	55.3 Å²	55.3	15%	0.152	32%	0.318	C	S	.	.			trans	-88.7	140.7	-168.8	-50.4	-173.7	0	0	0	111.6	A11 Q13 R267 I277	A11-L16 HydrophobicContact CB-CD2 4.32Å; Q13-L16 PolarHBondContact O-N 3.02Å; L16-R267 HydrophobicContact CD1-CB 3.81Å; L16-R267 HydrophobicContact CD2-CB 3.85Å; L16-I277 HydrophobicContact CD2-CD1 3.76Å
17	I	98.8	Very high	98.6	Very high	37 Å²	37	57.2 Å²	57.2	19%	0.19	33%	0.326	C	S	.	.			trans	-70.4	158.7	170.3	62.8	162.4	0	0	0	111.4	V19 L22 P150 E151 T265	I17-V19 HydrophobicContact CD1-CG2 4.04Å; I17-V19 HydrophobicContact CG1-CG2 4.16Å; I17-L22 HydrophobicContact CD1-CD2 3.76Å; I17-P150 HydrophobicContact CD1-CB 3.79Å; I17-P150 HydrophobicContact CG1-CB 4.06Å; I17-P150 HydrophobicContact CG2-CB 4.3Å; I17-E151 HydrophobicContact CG2-CB 3.96Å; I17-T265 HydrophobicContact CG1-CG2 4.4Å
18	N	98.8	Very high	98.7	Very high	92 Å²	92	61.2 Å²	61.2	49%	0.492	35%	0.348	S	S	.	.			trans	-92.2	99.7	162.6	-177.1	-25	0	0	0	109.1	A20 Q21 L22	N18-A20 PolarHBondContact O-N 3.45Å; N18-A20 PolarHBondContact OD1-N 2.95Å; N18-Q21 HydrophobicContact CB-CB 3.82Å; N18-Q21 VanDerWaalsContact CG-CB 3.49Å; N18-Q21 PolarHBondContact O-N 2.96Å; N18-Q21 PolarHBondContact OD1-N 3.28Å; N18-Q21 VanDerWaalsContact OD1-N 3.12Å; N18-L22 PolarHBondContact O-N 3.41Å
19	V	98.8	Very high	98.7	Very high	28 Å²	28	62.3 Å²	62.3	17%	0.17	35%	0.348	C	S	.	.	H	α-helix	trans	-55.7	-51.4	-175.1	176.9	0	0	0	0	111.9	I17 Q21 L22 T23 A89 Q264 T265	I17-V19 HydrophobicContact CD1-CG2 4.04Å; I17-V19 HydrophobicContact CG1-CG2 4.16Å; V19-Q21 VanDerWaalsContact C-N 3.31Å; V19-Q21 PolarHBondContact O-N 3.01Å; V19-L22 PolarHBondContact O-N 3.31Å; V19-L22 VanDerWaalsContact O-N 3.15Å; V19-T23 PolarHBondContact O-N 3.15Å; V19-T23 PolarHBondContact O-OG1 2.86Å; V19-T23 VanDerWaalsContact O-OG1 3.08Å; V19-A89 HydrophobicContact CG1-CB 3.99Å; V19-Q264 HydrophobicContact CG1-CB 4.1Å; V19-Q264 VanDerWaalsContact CG1-OE1 3.31Å; V19-Q264 HydrophobicContact CG2-CB 3.88Å; V19-T265 HydrophobicContact CG2-CG2 3.64Å
20	A	98.8	Very high	98.7	Very high	73 Å²	73	65.5 Å²	65.5	60%	0.603	36%	0.361	S	S	*	.	H	α-helix	trans	-63.6	-37.1	-178	0	0	0	0	0	112.4	N18 A24	N18-A20 PolarHBondContact O-N 3.45Å; N18-A20 PolarHBondContact OD1-N 2.95Å; A20-A24 VanDerWaalsContact O-CB 3.31Å; A20-A24 WeakPolarHBondContact O-CB 3.26Å; A20-A24 PolarHBondContact O-N 2.97Å
21	Q	98.8	Very high	98.7	Very high	110 Å²	110	63 Å²	63	51%	0.514	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-45.9	173.7	-177.5	-176	19.1	0	0	111.4	N18 V19 A24 Q25	N18-Q21 HydrophobicContact CB-CB 3.82Å; N18-Q21 VanDerWaalsContact CG-CB 3.49Å; N18-Q21 PolarHBondContact O-N 2.96Å; N18-Q21 PolarHBondContact OD1-N 3.28Å; N18-Q21 VanDerWaalsContact OD1-N 3.12Å; V19-Q21 VanDerWaalsContact C-N 3.31Å; V19-Q21 PolarHBondContact O-N 3.01Å; Q21-A24 PolarHBondContact O-N 3.02Å; Q21-Q25 VanDerWaalsContact O-CG 3.3Å; Q21-Q25 WeakPolarHBondContact O-CG 3.28Å; Q21-Q25 PolarHBondContact O-N 3.32Å
22	L	98.9	Very high	98.6	Very high	8 Å²	8	67.9 Å²	67.9	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-44.6	179.6	-179.3	69.3	0	0	0	111.6	I17 N18 V19 A24 Q25 Y26 A51 A52 A89 L90 E151	I17-L22 HydrophobicContact CD1-CD2 3.76Å; N18-L22 PolarHBondContact O-N 3.41Å; V19-L22 PolarHBondContact O-N 3.31Å; V19-L22 VanDerWaalsContact O-N 3.15Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 2.84Å; L22-Q25 WeakPolarHBondContact O-CB 3.5Å; L22-Q25 PolarHBondContact O-N 2.84Å; L22-Y26 PolarHBondContact O-N 3.45Å; L22-A51 HydrophobicContact CD1-CB 4.1Å; L22-A52 HydrophobicContact CD1-CB 4.15Å; L22-A89 HydrophobicContact CD2-CB 4.27Å; L22-L90 HydrophobicContact CD1-CD1 4.34Å; L22-L90 HydrophobicContact CD2-CD1 4.31Å; L22-L90 HydrophobicContact CD2-CD2 4.46Å; L22-L90 HydrophobicContact CD2-CG 4.08Å; L22-L90 HydrophobicContact CG-CD1 4.31Å; L22-L90 HydrophobicContact CG-CD2 4.03Å; L22-L90 HydrophobicContact CG-CG 4.15Å; L22-E151 HydrophobicContact CD1-CB 4.42Å; L22-E151 HydrophobicContact CD2-CB 4.1Å
23	T	98.9	Very high	98.3	Very high	35 Å²	35	68.1 Å²	68.1	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-64.2	-37	174.7	-54.6	0	0	0	0	111.1	V19 Y26 Y27 P93	V19-T23 PolarHBondContact O-N 3.15Å; V19-T23 PolarHBondContact O-OG1 2.86Å; V19-T23 VanDerWaalsContact O-OG1 3.08Å; T23-Y26 VanDerWaalsContact O-CB 3.26Å; T23-Y26 WeakPolarHBondContact O-CB 3.27Å; T23-Y26 PolarHBondContact O-N 2.95Å; T23-Y27 HydrophobicContact CG2-CE2 4.3Å; T23-Y27 VanDerWaalsContact O-CD2 3.26Å; T23-Y27 WeakPolarHBondContact O-CD2 3.49Å; T23-P93 HydrophobicContact CG2-CG 4.27Å
24	A	98.9	Very high	98.1	Very high	46 Å²	46	65.6 Å²	65.6	38%	0.38	40%	0.395	S	S	.	.	H	α-helix	trans	-64.1	-41.9	173.1	0	0	0	0	0	111.9	A20 Q21 L22 Y26 Y27 V28	A20-A24 VanDerWaalsContact O-CB 3.31Å; A20-A24 WeakPolarHBondContact O-CB 3.26Å; A20-A24 PolarHBondContact O-N 2.97Å; Q21-A24 PolarHBondContact O-N 3.02Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 2.84Å; A24-Y26 PolarHBondContact O-N 3.31Å; A24-Y27 PolarHBondContact O-N 2.85Å; A24-V28 WeakPolarHBondContact O-CG2 3.35Å; A24-V28 PolarHBondContact O-N 2.84Å
25	Q	98.9	Very high	98	Very high	42 Å²	42	63.2 Å²	63.2	20%	0.196	38%	0.375	C	S	.	.	H	α-helix	trans	-57.2	-31.1	176.4	-74.5	168.7	-18.4	0	0	112.7	Q21 L22 Y27 L29 A51 A52 N57	Q21-Q25 VanDerWaalsContact O-CG 3.3Å; Q21-Q25 WeakPolarHBondContact O-CG 3.28Å; Q21-Q25 PolarHBondContact O-N 3.32Å; L22-Q25 WeakPolarHBondContact O-CB 3.5Å; L22-Q25 PolarHBondContact O-N 2.84Å; Q25-Y27 PolarHBondContact O-N 3.14Å; Q25-L29 HydrophobicContact CB-CD1 3.85Å; Q25-L29 HydrophobicContact CB-CG 4.09Å; Q25-L29 HydrophobicContact CG-CD1 3.75Å; Q25-L29 HydrophobicContact CG-CG 4.17Å; Q25-L29 VanDerWaalsContact O-CB 3.29Å; Q25-L29 WeakPolarHBondContact O-CB 3.48Å; Q25-L29 PolarHBondContact O-N 2.93Å; Q25-A51 HydrophobicContact CB-CB 4.05Å; Q25-A52 VanDerWaalsContact OE1-CB 3.32Å; Q25-N57 PolarHBondContact O-ND2 2.75Å
26	Y	98.9	Very high	97.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-56.1	-39.1	174.9	178.4	-87.7	0	0	0	112.3	L22 T23 A24 F56 N57 E58 I61 L90 P93 S97	L22-Y26 PolarHBondContact O-N 3.45Å; T23-Y26 VanDerWaalsContact O-CB 3.26Å; T23-Y26 WeakPolarHBondContact O-CB 3.27Å; T23-Y26 PolarHBondContact O-N 2.95Å; A24-Y26 PolarHBondContact O-N 3.31Å; Y26-F56 HydrophobicContact CD2-CD1 4.29Å; Y26-F56 WeakPolarHBondContact CD2-O 3.44Å; Y26-F56 HydrophobicContact CE2-CD1 4.2Å; Y26-F56 HydrophobicContact CE2-CE1 4.22Å; Y26-N57 VanDerWaalsContact CE2-C 3.46Å; Y26-N57 WeakPolarHBondContact O-CB 3.42Å; Y26-E58 HydrophobicContact CD1-CB 3.92Å; Y26-E58 HydrophobicContact CE1-CB 3.45Å; Y26-E58 VanDerWaalsContact CE1-CB 3.45Å; Y26-E58 HydrophobicContact CE1-CG 3.98Å; Y26-E58 VanDerWaalsContact CZ-CA 3.41Å; Y26-E58 PolarHBondContact O-N 2.81Å; Y26-I61 HydrophobicContact CE2-CG1 3.82Å; Y26-I61 VanDerWaalsContact OH-CB 3.27Å; Y26-I61 WeakPolarHBondContact OH-CB 3.35Å; Y26-I61 WeakPolarHBondContact OH-CG1 3.42Å; Y26-L90 HydrophobicContact CD2-CD2 4.23Å; Y26-P93 HydrophobicContact CD1-CB 3.63Å; Y26-P93 HydrophobicContact CD1-CG 4.21Å; Y26-P93 HydrophobicContact CD2-CB 4.28Å; Y26-P93 HydrophobicContact CD2-CG 4.04Å; Y26-P93 HydrophobicContact CE1-CB 3.73Å; Y26-P93 HydrophobicContact CE2-CB 4.36Å; Y26-P93 HydrophobicContact CE2-CG 4.34Å; Y26-P93 HydrophobicContact CG-CB 3.91Å; Y26-P93 HydrophobicContact CG-CG 3.97Å; Y26-S97 PolarHBondContact OH-OG 2.9Å; Y26-S97 VanDerWaalsContact OH-OG 3.12Å
27	Y	98.9	Very high	97.6	Very high	90 Å²	90	69.9 Å²	69.9	35%	0.353	42%	0.416	S	S	.	.	H	α-helix	trans	-91.9	-37.3	-178.3	-60.1	-78	0	0	0	113.1	T23 A24 Q25 E58 P93	T23-Y27 HydrophobicContact CG2-CE2 4.3Å; T23-Y27 VanDerWaalsContact O-CD2 3.26Å; T23-Y27 WeakPolarHBondContact O-CD2 3.49Å; A24-Y27 PolarHBondContact O-N 2.85Å; Q25-Y27 PolarHBondContact O-N 3.14Å; Y27-E58 HydrophobicContact CD1-CB 4.46Å; Y27-P93 HydrophobicContact CE2-CB 3.99Å; Y27-P93 VanDerWaalsContact OH-CB 3.27Å; Y27-P93 WeakPolarHBondContact OH-CB 3.48Å
28	V	98.7	Very high	97.6	Very high	107 Å²	107	69.3 Å²	69.3	65%	0.648	41%	0.413	S	S	*	.	H	α-helix	trans	-91.9	-20.8	-171.9	-52.6	0	0	0	0	114.1	A24	A24-V28 WeakPolarHBondContact O-CG2 3.35Å; A24-V28 PolarHBondContact O-N 2.84Å
29	L	98.7	Very high	97.6	Very high	47 Å²	47	66.1 Å²	66.1	25%	0.246	40%	0.399	C	S	.	.			trans	-99.2	149.2	173.7	-54.7	-174.7	0	0	0	110.7	Q25 N57	Q25-L29 HydrophobicContact CB-CD1 3.85Å; Q25-L29 HydrophobicContact CB-CG 4.09Å; Q25-L29 HydrophobicContact CG-CD1 3.75Å; Q25-L29 HydrophobicContact CG-CG 4.17Å; Q25-L29 VanDerWaalsContact O-CB 3.29Å; Q25-L29 WeakPolarHBondContact O-CB 3.48Å; Q25-L29 PolarHBondContact O-N 2.93Å; L29-N57 PolarHBondContact O-ND2 3.37Å
30	K	98.3	Very high	97.5	Very high	148 Å²	148	64.9 Å²	64.9	64%	0.643	39%	0.392	S	S	*	.			trans	-132	150.4	-176.9	-63.4	-177	-178.5	-178.8	0	110.9	E32 H54 P59	K30-E32 PolarHBondContact O-N 3.26Å; K30-H54 PolarHBondContact O-ND1 3.39Å; K30-P59 HydrophobicContact CG-CG 4.37Å
31	P	98.2	Very high	97.5	Very high	28 Å²	28	67.2 Å²	67.2	18%	0.182	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-60.5	134.3	169.6	25.9	-32.3	0	0	0	110.4	H38 P59 L181	P31-H38 HydrophobicContact CB-CB 3.68Å; P31-H38 WeakPolarHBondContact CB-O 3.37Å; P31-P59 HydrophobicContact CG-CB 4.13Å; P31-L181 HydrophobicContact CG-CD2 4.06Å
32	E	97.3	Very high	97.4	Very high	122 Å²	122	62 Å²	62	57%	0.57	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-72.1	128.1	174.9	-173.6	-175.3	-164.7	0	0	110.6	K30 G34 N35 H38	K30-E32 PolarHBondContact O-N 3.26Å; E32-G34 PolarHBondContact O-N 3.45Å; E32-N35 HydrophobicContact CB-CB 3.92Å; E32-N35 HydrophobicContact CG-CB 4.3Å; E32-N35 PolarHBondContact O-N 3.42Å; E32-N35 VanDerWaalsContact O-N 3.15Å; E32-N35 PolarHBondContact OE2-ND2 2.87Å; E32-H38 VanDerWaalsContact CB-ND1 3.26Å; E32-H38 WeakPolarHBondContact CB-ND1 3.5Å; E32-H38 PolarHBondContact N-ND1 2.62Å; E32-H38 VanDerWaalsContact N-ND1 3.12Å; E32-H38 IonicContact OE2-CE1 3.95Å
33	A	92.4	Very high	97.1	Very high	103 Å²	103	63.2 Å²	63.2	85%	0.851	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	125.9	-179.8	0	0	0	0	0	111.4	N35	A33-N35 VanDerWaalsContact C-N 3.31Å
34	G	92.9	Very high	96.1	Very high	91 Å²	91	64 Å²	64	94%	0.938	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-5.7	-179.6	0	0	0	0	0	115	E32 A36	E32-G34 PolarHBondContact O-N 3.45Å; G34-A36 PolarHBondContact O-N 3Å
35	N	96.5	Very high	95.7	Very high	47 Å²	47	64.4 Å²	64.4	25%	0.251	38%	0.383	S	S	.	.			trans	-85.5	112.7	175.6	-171.5	-23.9	0	0	0	110.9	E32 A33 E37 H38 A39	E32-N35 HydrophobicContact CB-CB 3.92Å; E32-N35 HydrophobicContact CG-CB 4.3Å; E32-N35 PolarHBondContact O-N 3.42Å; E32-N35 VanDerWaalsContact O-N 3.15Å; E32-N35 PolarHBondContact OE2-ND2 2.87Å; A33-N35 VanDerWaalsContact C-N 3.31Å; N35-E37 PolarHBondContact O-N 3.09Å; N35-E37 WeakPolarHBondContact OD1-CB 3.4Å; N35-E37 PolarHBondContact OD1-N 2.82Å; N35-H38 HydrophobicContact CB-CB 4.45Å; N35-H38 PolarHBondContact ND2-CE1 3.31Å; N35-H38 VanDerWaalsContact ND2-CE1 3.3Å; N35-H38 PolarHBondContact O-N 3.05Å; N35-H38 VanDerWaalsContact O-N 3.12Å; N35-A39 PolarHBondContact O-N 3.23Å
36	A	94.7	Very high	95.6	Very high	72 Å²	72	62.9 Å²	62.9	60%	0.595	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-66.8	-19.4	-176.9	0	0	0	0	0	114.3	G34 H38 K41	G34-A36 PolarHBondContact O-N 3Å; A36-H38 VanDerWaalsContact C-N 3.3Å; A36-K41 VanDerWaalsContact O-CE 3.28Å; A36-K41 WeakPolarHBondContact O-CE 3.34Å
37	E	94.7	Very high	95.6	Very high	142 Å²	142	63 Å²	63	66%	0.664	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-73.3	-26.8	174.6	-63.2	-170.6	156	0	0	112.2	N35	N35-E37 PolarHBondContact O-N 3.09Å; N35-E37 WeakPolarHBondContact OD1-CB 3.4Å; N35-E37 PolarHBondContact OD1-N 2.82Å
38	H	98.1	Very high	95.5	Very high	24 Å²	24	62.5 Å²	62.5	11%	0.111	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-94	3.1	177.8	-54.7	160.6	0	0	0	112.9	P31 E32 N35 A36 H54 H60	P31-H38 HydrophobicContact CB-CB 3.68Å; P31-H38 WeakPolarHBondContact CB-O 3.37Å; E32-H38 VanDerWaalsContact CB-ND1 3.26Å; E32-H38 WeakPolarHBondContact CB-ND1 3.5Å; E32-H38 PolarHBondContact N-ND1 2.62Å; E32-H38 VanDerWaalsContact N-ND1 3.12Å; E32-H38 IonicContact OE2-CE1 3.95Å; N35-H38 HydrophobicContact CB-CB 4.45Å; N35-H38 PolarHBondContact ND2-CE1 3.31Å; N35-H38 VanDerWaalsContact ND2-CE1 3.3Å; N35-H38 PolarHBondContact O-N 3.05Å; N35-H38 VanDerWaalsContact O-N 3.12Å; A36-H38 VanDerWaalsContact C-N 3.3Å; H38-H54 WeakPolarHBondContact CB-O 3.45Å; H38-H60 PolarHBondContact O-NE2 2.75Å
39	A	98.2	Very high	95.5	Very high	26 Å²	26	57.6 Å²	57.6	22%	0.215	35%	0.348	C	S	.	.	S	Bend	trans	-74.5	156.4	177.4	0	0	0	0	0	111.4	N35 K41	N35-A39 PolarHBondContact O-N 3.23Å; A39-K41 PolarHBondContact O-N 3.39Å
40	V	98.6	Very high	95.5	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.012	34%	0.336	C	S	.	.			trans	-65.7	128.1	166.1	171.8	0	0	0	0	108.5	F42 H47 H60 I64 A177 N178 L181	V40-F42 HydrophobicContact CG1-CB 3.86Å; V40-H47 HydrophobicContact CG1-CB 4.41Å; V40-H60 HydrophobicContact CG2-CB 4.35Å; V40-I64 HydrophobicContact CG1-CD1 3.93Å; V40-I64 HydrophobicContact CG1-CG1 3.95Å; V40-I64 HydrophobicContact CG2-CD1 4.07Å; V40-I64 HydrophobicContact CG2-CG1 4.12Å; V40-A177 HydrophobicContact CB-CB 4.3Å; V40-A177 HydrophobicContact CG1-CB 4.13Å; V40-A177 HydrophobicContact CG2-CB 4.11Å; V40-N178 PolarHBondContact N-OD1 2.84Å; V40-N178 PolarHBondContact O-ND2 3.22Å; V40-L181 HydrophobicContact CG2-CD1 3.76Å
41	K	97.4	Very high	95.5	Very high	121 Å²	121	48.3 Å²	48.3	53%	0.526	31%	0.306	S	S	.	.			trans	-121.9	90.2	173.2	-59.5	178.2	-172	-176.9	0	107.1	A36 A39 H47 E174	A36-K41 VanDerWaalsContact O-CE 3.28Å; A36-K41 WeakPolarHBondContact O-CE 3.34Å; A39-K41 PolarHBondContact O-N 3.39Å; K41-H47 PolarHBondContact N-ND1 3.18Å; K41-H47 VanDerWaalsContact O-CA 3.25Å; K41-H47 WeakPolarHBondContact O-CA 3.41Å; K41-E174 WeakPolarHBondContact CA-OE2 3.38Å
42	F	97.4	Very high	95.5	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	31%	0.314	C	S	.	.			trans	-106.5	87.7	-169	-162.8	-90.1	0	0	0	109.8	V40 H47 I64 I68 I155 T170 V173 E174	V40-F42 HydrophobicContact CG1-CB 3.86Å; F42-H47 HydrophobicContact CB-CB 4.44Å; F42-H47 HydrophobicContact CD2-CB 3.73Å; F42-I64 HydrophobicContact CD2-CD1 4.22Å; F42-I64 HydrophobicContact CD2-CG1 4.41Å; F42-I64 HydrophobicContact CD2-CG2 4.13Å; F42-I64 HydrophobicContact CE2-CG2 3.73Å; F42-I64 HydrophobicContact CZ-CG2 4.49Å; F42-I68 HydrophobicContact CZ-CD1 4.35Å; F42-I155 HydrophobicContact CE2-CG2 4.46Å; F42-I155 WeakPolarHBondContact CE2-O 3.41Å; F42-T170 HydrophobicContact CD1-CG2 4.24Å; F42-T170 HydrophobicContact CE1-CG2 4.22Å; F42-T170 VanDerWaalsContact O-CB 3.29Å; F42-T170 WeakPolarHBondContact O-CB 3.43Å; F42-T170 PolarHBondContact O-OG1 3.42Å; F42-V173 HydrophobicContact CD1-CB 4.11Å; F42-V173 HydrophobicContact CD1-CG1 3.85Å; F42-V173 HydrophobicContact CD2-CG1 4.45Å; F42-V173 HydrophobicContact CE1-CB 4.28Å; F42-V173 HydrophobicContact CE1-CG1 3.91Å; F42-V173 HydrophobicContact CG-CG1 4.14Å; F42-V173 HydrophobicContact CZ-CG1 4.25Å; F42-E174 HydrophobicContact CB-CB 3.93Å; F42-E174 HydrophobicContact CB-CG 4.41Å; F42-E174 PolarHBondContact N-OE2 3.18Å
43	G	92.1	Very high	95.6	Very high	32 Å²	32	48.5 Å²	48.5	33%	0.33	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-94.5	-160.2	-179.1	0	0	0	0	0	113.6	S45 G46 T170	G43-S45 PolarHBondContact O-N 3.08Å; G43-G46 PolarHBondContact N-O 2.65Å; G43-G46 WeakPolarHBondContact O-CA 3.31Å; G43-G46 PolarHBondContact O-N 3.41Å; G43-T170 WeakPolarHBondContact O-CG2 3.46Å
44	T	79	Confident	95.9	Very high	53 Å²	53	46.4 Å²	46.4	33%	0.325	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-28	178.3	52.1	0	0	0	0	113.3	G46 K374	T44-G46 VanDerWaalsContact C-N 3.31Å; T44-K374 HydrophobicContact CG2-CD 3.8Å; T44-K374 HydrophobicContact CG2-CG 4.38Å
45	S	89.5	Confident	96.1	Very high	54 Å²	54	42.7 Å²	42.7	38%	0.378	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	21.2	171	-57.9	0	0	0	0	112.2	G43	G43-S45 PolarHBondContact O-N 3.08Å
46	G	96.5	Very high	96.2	Very high	10 Å²	10	40.5 Å²	40.5	10%	0.103	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	71.6	-150.3	-179.1	0	0	0	0	0	113.7	G43 T44 I155	G43-G46 PolarHBondContact N-O 2.65Å; G43-G46 WeakPolarHBondContact O-CA 3.31Å; G43-G46 PolarHBondContact O-N 3.41Å; T44-G46 VanDerWaalsContact C-N 3.31Å; G46-I155 CarbonylContact C-O 3.58Å; G46-I155 WeakPolarHBondContact CA-O 3.14Å
47	H	98.3	Very high	96.4	Very high	2 Å²	2	37 Å²	37	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.7	175	170.8	63.7	0	0	0	110.5	V40 K41 F42 S55 H60 I64 G154 I155	V40-H47 HydrophobicContact CG1-CB 4.41Å; K41-H47 PolarHBondContact N-ND1 3.18Å; K41-H47 VanDerWaalsContact O-CA 3.25Å; K41-H47 WeakPolarHBondContact O-CA 3.41Å; F42-H47 HydrophobicContact CB-CB 4.44Å; F42-H47 HydrophobicContact CD2-CB 3.73Å; H47-S55 PolarHBondContact CE1-O 3.41Å; H47-S55 PolarHBondContact NE2-O 2.93Å; H47-H60 AromaticContact NE2-CD2 3.87Å; H47-I64 HydrophobicContact CB-CD1 3.84Å; H47-G154 CarbonylContact O-C 3.59Å; H47-G154 VanDerWaalsContact O-CA 3.23Å; H47-G154 WeakPolarHBondContact O-CA 3.27Å; H47-I155 HydrophobicContact CB-CG2 4.29Å; H47-I155 PolarHBondContact N-O 3.24Å; H47-I155 PolarHBondContact O-N 3.25Å
48	R	97.8	Very high	96.6	Very high	79 Å²	79	32 Å²	32	30%	0.298	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.3	177.1	-60.2	-176.5	-175.6	-175.3	-1.3	110.2	P145 N148 G153	R48-P145 HydrophobicContact CG-CB 4.39Å; R48-P145 VanDerWaalsContact CZ-O 3.28Å; R48-P145 PolarHBondContact NH1-O 2.84Å; R48-N148 PolarHBondContact NH1-OD1 2.76Å; R48-G153 WeakPolarHBondContact CA-O 3.43Å
49	G	98.1	Very high	96.7	Very high	5 Å²	5	31.7 Å²	31.7	5%	0.052	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-163.8	176.6	0	0	0	0	0	111.3	S55 F56 D152 G153	G49-S55 WeakPolarHBondContact CA-O 3.5Å; G49-F56 VanDerWaalsContact C-CB 3.47Å; G49-D152 CarbonylContact O-C 3.52Å; G49-D152 VanDerWaalsContact O-CA 3.28Å; G49-D152 WeakPolarHBondContact O-CA 3.33Å; G49-G153 PolarHBondContact N-O 2.73Å; G49-G153 VanDerWaalsContact N-O 3.09Å; G49-G153 PolarHBondContact O-N 3.09Å
50	S	98.8	Very high	96.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.			trans	-135.9	143.9	173.4	178.6	0	0	0	0	110.5	A52 R53 H54 S55 F56 E151	S50-A52 PolarHBondContact O-N 3.12Å; S50-A52 PolarHBondContact OG-N 3.26Å; S50-R53 VanDerWaalsContact CB-NH1 3.34Å; S50-R53 VanDerWaalsContact CB-NH2 3.34Å; S50-R53 CarbonylContact O-C 3.51Å; S50-R53 PolarHBondContact O-N 3.33Å; S50-H54 PolarHBondContact O-N 2.99Å; S50-S55 PolarHBondContact N-OG 3.19Å; S50-S55 VanDerWaalsContact N-OG 3.17Å; S50-S55 PolarHBondContact O-N 2.88Å; S50-S55 VanDerWaalsContact O-N 3.16Å; S50-S55 PolarHBondContact O-OG 3.41Å; S50-F56 PolarHBondContact O-N 3.32Å; S50-E151 VanDerWaalsContact CB-O 3.23Å; S50-E151 WeakPolarHBondContact CB-O 3.44Å; S50-E151 PolarHBondContact OG-O 3.32Å
51	A	98.8	Very high	96.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-57.5	-37	175.9	0	0	0	0	0	112.3	L22 Q25 R53 H54 F56 N57 L90	L22-A51 HydrophobicContact CD1-CB 4.1Å; Q25-A51 HydrophobicContact CB-CB 4.05Å; A51-R53 PolarHBondContact O-N 3.01Å; A51-H54 PolarHBondContact O-N 3.15Å; A51-F56 WeakPolarHBondContact CA-O 3.48Å; A51-F56 VanDerWaalsContact CB-O 3.31Å; A51-F56 WeakPolarHBondContact CB-O 3.28Å; A51-F56 PolarHBondContact N-O 3.39Å; A51-N57 WeakPolarHBondContact CA-ND2 3.44Å; A51-N57 PolarHBondContact O-ND2 3.3Å; A51-L90 HydrophobicContact CB-CD1 3.94Å; A51-L90 HydrophobicContact CB-CD2 3.8Å
52	A	98.2	Very high	96.8	Very high	44 Å²	44	24.9 Å²	24.9	36%	0.364	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-66.1	-24.3	177.6	0	0	0	0	0	113.1	L22 Q25 S50	L22-A52 HydrophobicContact CD1-CB 4.15Å; Q25-A52 VanDerWaalsContact OE1-CB 3.32Å; S50-A52 PolarHBondContact O-N 3.12Å; S50-A52 PolarHBondContact OG-N 3.26Å
53	R	98.6	Very high	96.9	Very high	110 Å²	110	24.8 Å²	24.8	42%	0.415	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-105.5	21.3	-179.6	-58.1	-172.2	-58.9	-91	1.4	111.9	S50 A51 S55 E151 D152	S50-R53 VanDerWaalsContact CB-NH1 3.34Å; S50-R53 VanDerWaalsContact CB-NH2 3.34Å; S50-R53 CarbonylContact O-C 3.51Å; S50-R53 PolarHBondContact O-N 3.33Å; A51-R53 PolarHBondContact O-N 3.01Å; R53-S55 PolarHBondContact O-N 3.08Å; R53-S55 PolarHBondContact O-OG 3.45Å; R53-E151 IonicContact NH1-OE1 2.74Å; R53-D152 IonicContact CZ-OD1 3.92Å; R53-D152 IonicContact NH1-OD1 2.8Å; R53-D152 PolarHBondContact NH1-OD1 2.86Å; R53-D152 IonicContact NH2-OD1 3.72Å; R53-D152 PolarHBondContact NH2-OD1 3.43Å; R53-D152 IonicContact NH2-OD2 3.04Å
54	H	98.7	Very high	97.2	Very high	59 Å²	59	23.3 Å²	23.3	27%	0.273	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	26	177.8	-58.6	-102.7	0	0	0	114	K30 H38 S50 A51 N57 H60	K30-H54 PolarHBondContact O-ND1 3.39Å; H38-H54 WeakPolarHBondContact CB-O 3.45Å; S50-H54 PolarHBondContact O-N 2.99Å; A51-H54 PolarHBondContact O-N 3.15Å; H54-N57 VanDerWaalsContact CA-OD1 3.25Å; H54-N57 WeakPolarHBondContact CA-OD1 3.46Å; H54-H60 PolarHBondContact O-CE1 3.1Å; H54-H60 PolarHBondContact O-NE2 3.11Å
55	S	98.6	Very high	98.1	Very high	13 Å²	13	20.8 Å²	20.8	9%	0.091	11%	0.109	C	C	.	.	S	Bend	trans	-125.6	7.1	-171.9	48	0	0	0	0	112.7	H47 G49 S50 R53 N57	H47-S55 PolarHBondContact CE1-O 3.41Å; H47-S55 PolarHBondContact NE2-O 2.93Å; G49-S55 WeakPolarHBondContact CA-O 3.5Å; S50-S55 PolarHBondContact N-OG 3.19Å; S50-S55 VanDerWaalsContact N-OG 3.17Å; S50-S55 PolarHBondContact O-N 2.88Å; S50-S55 VanDerWaalsContact O-N 3.16Å; S50-S55 PolarHBondContact O-OG 3.41Å; R53-S55 PolarHBondContact O-N 3.08Å; R53-S55 PolarHBondContact O-OG 3.45Å; S55-N57 PolarHBondContact N-OD1 2.91Å
56	F	98.9	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-159.4	81.4	171.9	-163.1	-87.1	0	0	0	109.3	Y26 G49 S50 A51 I61 L90 A94 G153 G154 I155	Y26-F56 HydrophobicContact CD2-CD1 4.29Å; Y26-F56 WeakPolarHBondContact CD2-O 3.44Å; Y26-F56 HydrophobicContact CE2-CD1 4.2Å; Y26-F56 HydrophobicContact CE2-CE1 4.22Å; G49-F56 VanDerWaalsContact C-CB 3.47Å; S50-F56 PolarHBondContact O-N 3.32Å; A51-F56 WeakPolarHBondContact CA-O 3.48Å; A51-F56 VanDerWaalsContact CB-O 3.31Å; A51-F56 WeakPolarHBondContact CB-O 3.28Å; A51-F56 PolarHBondContact N-O 3.39Å; F56-I61 HydrophobicContact CD2-CD1 4.14Å; F56-I61 HydrophobicContact CE1-CD1 4.04Å; F56-I61 HydrophobicContact CE1-CG1 4.39Å; F56-I61 HydrophobicContact CE2-CD1 3.58Å; F56-I61 HydrophobicContact CZ-CD1 3.54Å; F56-I61 HydrophobicContact CZ-CG1 4.33Å; F56-L90 HydrophobicContact CB-CD1 4.47Å; F56-L90 HydrophobicContact CD1-CB 3.84Å; F56-L90 HydrophobicContact CD1-CD1 3.92Å; F56-L90 HydrophobicContact CD1-CG 4.38Å; F56-L90 HydrophobicContact CE1-CB 3.79Å; F56-A94 HydrophobicContact CE1-CB 3.79Å; F56-A94 HydrophobicContact CZ-CB 3.83Å; F56-G153 VanDerWaalsContact CD2-C 3.5Å; F56-G153 WeakPolarHBondContact CD2-O 3.36Å; F56-G153 WeakPolarHBondContact CE2-O 3.39Å; F56-G154 VanDerWaalsContact CE2-CA 3.48Å; F56-G154 VanDerWaalsContact CE2-N 3.25Å; F56-I155 HydrophobicContact CE2-CG2 4.22Å
57	N	98.9	Very high	98.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-135.5	167.8	-171.5	-57.4	80.5	0	0	0	109	Q25 Y26 L29 A51 H54 S55 P59 H60 I61	Q25-N57 PolarHBondContact O-ND2 2.75Å; Y26-N57 VanDerWaalsContact CE2-C 3.46Å; Y26-N57 WeakPolarHBondContact O-CB 3.42Å; L29-N57 PolarHBondContact O-ND2 3.37Å; A51-N57 WeakPolarHBondContact CA-ND2 3.44Å; A51-N57 PolarHBondContact O-ND2 3.3Å; H54-N57 VanDerWaalsContact CA-OD1 3.25Å; H54-N57 WeakPolarHBondContact CA-OD1 3.46Å; S55-N57 PolarHBondContact N-OD1 2.91Å; N57-P59 VanDerWaalsContact C-CD 3.41Å; N57-P59 VanDerWaalsContact C-N 3.29Å; N57-P59 VanDerWaalsContact O-N 3.11Å; N57-H60 PolarHBondContact N-ND1 3Å; N57-H60 WeakPolarHBondContact O-CB 3.41Å; N57-H60 PolarHBondContact O-N 3.49Å; N57-H60 PolarHBondContact O-ND1 3.34Å; N57-I61 PolarHBondContact O-N 3.37Å
58	E	98.9	Very high	98.7	Very high	37 Å²	37	17.9 Å²	17.9	17%	0.173	9%	0.087	C	C	.	.	H	α-helix	trans	-45.6	-45.9	-178.8	-168.6	-172.7	-137.3	0	0	113.4	Y26 Y27 H60 I61 L62 R190	Y26-E58 HydrophobicContact CD1-CB 3.92Å; Y26-E58 HydrophobicContact CE1-CB 3.45Å; Y26-E58 VanDerWaalsContact CE1-CB 3.45Å; Y26-E58 HydrophobicContact CE1-CG 3.98Å; Y26-E58 VanDerWaalsContact CZ-CA 3.41Å; Y26-E58 PolarHBondContact O-N 2.81Å; Y27-E58 HydrophobicContact CD1-CB 4.46Å; E58-H60 VanDerWaalsContact C-N 3.29Å; E58-H60 PolarHBondContact O-N 3.01Å; E58-I61 PolarHBondContact O-N 2.8Å; E58-L62 HydrophobicContact CG-CD1 3.75Å; E58-L62 HydrophobicContact CG-CG 4.02Å; E58-L62 WeakPolarHBondContact O-CB 3.41Å; E58-L62 VanDerWaalsContact O-CG 3.3Å; E58-L62 WeakPolarHBondContact O-CG 3.43Å; E58-L62 PolarHBondContact O-N 3.06Å; E58-R190 IonicContact OE1-CZ 2.83Å; E58-R190 IonicContact OE1-NH1 2.76Å; E58-R190 PolarHBondContact OE1-NH1 3.4Å; E58-R190 IonicContact OE1-NH2 2.98Å; E58-R190 PolarHBondContact OE1-NH2 3.32Å; E58-R190 IonicContact OE2-NH1 3.96Å
59	P	98.9	Very high	98.8	Very high	16 Å²	16	14.3 Å²	14.3	10%	0.104	8%	0.075	C	C	.	.	H	α-helix	trans	-59	-36.3	179.1	-27.9	39.1	0	0	0	114.6	K30 P31 N57 A63 L181 L185	K30-P59 HydrophobicContact CG-CG 4.37Å; P31-P59 HydrophobicContact CG-CB 4.13Å; N57-P59 VanDerWaalsContact C-CD 3.41Å; N57-P59 VanDerWaalsContact C-N 3.29Å; N57-P59 VanDerWaalsContact O-N 3.11Å; P59-A63 VanDerWaalsContact O-CB 3.24Å; P59-A63 WeakPolarHBondContact O-CB 3.49Å; P59-A63 PolarHBondContact O-N 3.23Å; P59-A63 VanDerWaalsContact O-N 3.13Å; P59-L181 HydrophobicContact CB-CD2 3.54Å; P59-L181 WeakPolarHBondContact O-CD2 3.22Å; P59-L185 HydrophobicContact CB-CD1 4.06Å
60	H	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.4	-47.7	-179.8	-55.6	90.7	0	0	0	110.5	H38 V40 H47 H54 N57 E58 A63 I64	H38-H60 PolarHBondContact O-NE2 2.75Å; V40-H60 HydrophobicContact CG2-CB 4.35Å; H47-H60 AromaticContact NE2-CD2 3.87Å; H54-H60 PolarHBondContact O-CE1 3.1Å; H54-H60 PolarHBondContact O-NE2 3.11Å; N57-H60 PolarHBondContact N-ND1 3Å; N57-H60 WeakPolarHBondContact O-CB 3.41Å; N57-H60 PolarHBondContact O-N 3.49Å; N57-H60 PolarHBondContact O-ND1 3.34Å; E58-H60 VanDerWaalsContact C-N 3.29Å; E58-H60 PolarHBondContact O-N 3.01Å; H60-A63 PolarHBondContact O-N 2.9Å; H60-I64 WeakPolarHBondContact O-CB 3.46Å; H60-I64 WeakPolarHBondContact O-CD1 3.38Å; H60-I64 WeakPolarHBondContact O-CG1 3.25Å; H60-I64 PolarHBondContact O-N 3.21Å
61	I	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-73	-40.6	-173.6	-50.6	-53	0	0	0	110.9	Y26 F56 N57 E58 A63 I64 A65 A94 V98 I155	Y26-I61 HydrophobicContact CE2-CG1 3.82Å; Y26-I61 VanDerWaalsContact OH-CB 3.27Å; Y26-I61 WeakPolarHBondContact OH-CB 3.35Å; Y26-I61 WeakPolarHBondContact OH-CG1 3.42Å; F56-I61 HydrophobicContact CD2-CD1 4.14Å; F56-I61 HydrophobicContact CE1-CD1 4.04Å; F56-I61 HydrophobicContact CE1-CG1 4.39Å; F56-I61 HydrophobicContact CE2-CD1 3.58Å; F56-I61 HydrophobicContact CZ-CD1 3.54Å; F56-I61 HydrophobicContact CZ-CG1 4.33Å; N57-I61 PolarHBondContact O-N 3.37Å; E58-I61 PolarHBondContact O-N 2.8Å; I61-A63 VanDerWaalsContact C-N 3.3Å; I61-A63 PolarHBondContact O-N 3.27Å; I61-I64 PolarHBondContact O-N 3.37Å; I61-A65 VanDerWaalsContact O-CB 3.26Å; I61-A65 WeakPolarHBondContact O-CB 3.42Å; I61-A65 PolarHBondContact O-N 3.02Å; I61-A94 HydrophobicContact CD1-CB 4.27Å; I61-A94 HydrophobicContact CG1-CB 3.96Å; I61-A94 HydrophobicContact CG2-CB 4.11Å; I61-A94 WeakPolarHBondContact CG2-O 3.46Å; I61-V98 HydrophobicContact CG2-CG2 3.78Å; I61-I155 HydrophobicContact CD1-CG2 3.92Å; I61-I155 HydrophobicContact CG2-CD1 4.29Å
62	L	98.9	Very high	98.8	Very high	7 Å²	7	17.6 Å²	17.6	4%	0.037	9%	0.089	C	C	.	.	H	α-helix	trans	-57	-45.1	172.3	-70.7	-178.9	0	0	0	111.6	E58 Q66 V101 L185 V188 R190	E58-L62 HydrophobicContact CG-CD1 3.75Å; E58-L62 HydrophobicContact CG-CG 4.02Å; E58-L62 WeakPolarHBondContact O-CB 3.41Å; E58-L62 VanDerWaalsContact O-CG 3.3Å; E58-L62 WeakPolarHBondContact O-CG 3.43Å; E58-L62 PolarHBondContact O-N 3.06Å; L62-Q66 WeakPolarHBondContact O-CB 3.47Å; L62-Q66 PolarHBondContact O-N 3.31Å; L62-Q66 VanDerWaalsContact O-N 3.1Å; L62-V101 HydrophobicContact CD2-CG2 3.43Å; L62-V101 VanDerWaalsContact CD2-CG2 3.43Å; L62-L185 HydrophobicContact CB-CD1 4.5Å; L62-L185 HydrophobicContact CD1-CD1 4.09Å; L62-V188 HydrophobicContact CB-CG1 4.2Å; L62-R190 HydrophobicContact CD2-CG 4.4Å
63	A	98.9	Very high	98.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.1	-43.1	178.5	0	0	0	0	0	112.7	P59 H60 I61 A67 A177 L180 L181 L185	P59-A63 VanDerWaalsContact O-CB 3.24Å; P59-A63 WeakPolarHBondContact O-CB 3.49Å; P59-A63 PolarHBondContact O-N 3.23Å; P59-A63 VanDerWaalsContact O-N 3.13Å; H60-A63 PolarHBondContact O-N 2.9Å; I61-A63 VanDerWaalsContact C-N 3.3Å; I61-A63 PolarHBondContact O-N 3.27Å; A63-A67 WeakPolarHBondContact O-CB 3.48Å; A63-A67 PolarHBondContact O-N 3.48Å; A63-A177 HydrophobicContact CB-CB 4.09Å; A63-L180 HydrophobicContact CB-CB 3.98Å; A63-L180 HydrophobicContact CB-CD1 4.46Å; A63-L180 WeakPolarHBondContact O-CD1 3.37Å; A63-L181 HydrophobicContact CB-CD2 4.42Å; A63-L181 HydrophobicContact CB-CG 4.12Å; A63-L185 HydrophobicContact CB-CD2 3.99Å
64	I	98.9	Very high	98.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.1	-46.9	178	-70.6	164.2	0	0	0	110.7	V40 F42 H47 H60 I61 Q66 A67 I68 I155 A177	V40-I64 HydrophobicContact CG1-CD1 3.93Å; V40-I64 HydrophobicContact CG1-CG1 3.95Å; V40-I64 HydrophobicContact CG2-CD1 4.07Å; V40-I64 HydrophobicContact CG2-CG1 4.12Å; F42-I64 HydrophobicContact CD2-CD1 4.22Å; F42-I64 HydrophobicContact CD2-CG1 4.41Å; F42-I64 HydrophobicContact CD2-CG2 4.13Å; F42-I64 HydrophobicContact CE2-CG2 3.73Å; F42-I64 HydrophobicContact CZ-CG2 4.49Å; H47-I64 HydrophobicContact CB-CD1 3.84Å; H60-I64 WeakPolarHBondContact O-CB 3.46Å; H60-I64 WeakPolarHBondContact O-CD1 3.38Å; H60-I64 WeakPolarHBondContact O-CG1 3.25Å; H60-I64 PolarHBondContact O-N 3.21Å; I61-I64 PolarHBondContact O-N 3.37Å; I64-Q66 VanDerWaalsContact C-N 3.31Å; I64-Q66 PolarHBondContact O-N 3Å; I64-A67 PolarHBondContact O-N 3.29Å; I64-I68 HydrophobicContact CG2-CD1 3.73Å; I64-I68 HydrophobicContact CG2-CG1 4.39Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 2.73Å; I64-I155 HydrophobicContact CD1-CG2 3.87Å; I64-I155 HydrophobicContact CG2-CD1 4.06Å; I64-I155 HydrophobicContact CG2-CG2 4.31Å; I64-A177 HydrophobicContact CG1-CB 3.96Å
65	A	99	Very high	98.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-40.8	179.1	0	0	0	0	0	111.6	I61 I68 A69 V98 V101	I61-A65 VanDerWaalsContact O-CB 3.26Å; I61-A65 WeakPolarHBondContact O-CB 3.42Å; I61-A65 PolarHBondContact O-N 3.02Å; A65-I68 PolarHBondContact O-N 3.44Å; A65-A69 WeakPolarHBondContact O-CB 3.21Å; A65-A69 PolarHBondContact O-N 3.28Å; A65-V98 HydrophobicContact CB-CG2 4.3Å; A65-V101 HydrophobicContact CB-CB 3.78Å; A65-V101 HydrophobicContact CB-CG1 3.78Å; A65-V101 HydrophobicContact CB-CG2 4.35Å
66	Q	99	Very high	98.8	Very high	2 Å²	2	23 Å²	23	1%	0.009	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-44.4	175.2	-179.9	63.1	44.7	0	0	111.2	L62 I64 I68 A69 E70 V101 N105 L180 V188	L62-Q66 WeakPolarHBondContact O-CB 3.47Å; L62-Q66 PolarHBondContact O-N 3.31Å; L62-Q66 VanDerWaalsContact O-N 3.1Å; I64-Q66 VanDerWaalsContact C-N 3.31Å; I64-Q66 PolarHBondContact O-N 3Å; Q66-I68 VanDerWaalsContact C-N 3.35Å; Q66-I68 PolarHBondContact O-N 2.85Å; Q66-A69 PolarHBondContact O-N 2.87Å; Q66-E70 PolarHBondContact NE2-OE1 2.86Å; Q66-E70 WeakPolarHBondContact O-CG 3.43Å; Q66-E70 PolarHBondContact O-N 3.48Å; Q66-V101 HydrophobicContact CB-CG1 3.97Å; Q66-N105 PolarHBondContact NE2-OD1 2.89Å; Q66-N105 PolarHBondContact OE1-ND2 2.83Å; Q66-L180 HydrophobicContact CB-CD1 3.83Å; Q66-L180 HydrophobicContact CG-CD1 3.7Å; Q66-L180 HydrophobicContact CG-CD2 4.45Å; Q66-V188 HydrophobicContact CB-CB 4.47Å; Q66-V188 HydrophobicContact CB-CG1 4.31Å; Q66-V188 HydrophobicContact CB-CG2 4.04Å; Q66-V188 HydrophobicContact CG-CG2 4.26Å
67	A	98.9	Very high	98.8	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-61.2	-42.4	177.5	0	0	0	0	0	111.9	A63 I64 E70 E71 V173 R176 A177	A63-A67 WeakPolarHBondContact O-CB 3.48Å; A63-A67 PolarHBondContact O-N 3.48Å; I64-A67 PolarHBondContact O-N 3.29Å; A67-E70 PolarHBondContact O-N 3.11Å; A67-E71 VanDerWaalsContact O-CB 3.29Å; A67-E71 WeakPolarHBondContact O-CB 3.42Å; A67-E71 PolarHBondContact O-N 2.97Å; A67-V173 HydrophobicContact CB-CG1 4.02Å; A67-R176 HydrophobicContact CB-CB 3.87Å; A67-R176 HydrophobicContact CB-CG 3.69Å; A67-A177 HydrophobicContact CB-CB 4.33Å
68	I	98.9	Very high	98.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-46	175.7	-67.2	168	0	0	0	110.8	F42 I64 A65 Q66 E70 E71 R72 I141 Y157 V173	F42-I68 HydrophobicContact CZ-CD1 4.35Å; I64-I68 HydrophobicContact CG2-CD1 3.73Å; I64-I68 HydrophobicContact CG2-CG1 4.39Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 2.73Å; A65-I68 PolarHBondContact O-N 3.44Å; Q66-I68 VanDerWaalsContact C-N 3.35Å; Q66-I68 PolarHBondContact O-N 2.85Å; I68-E70 VanDerWaalsContact C-N 3.3Å; I68-E70 PolarHBondContact O-N 3.3Å; I68-E71 PolarHBondContact O-N 3.09Å; I68-E71 VanDerWaalsContact O-N 3.17Å; I68-R72 WeakPolarHBondContact O-CB 3.38Å; I68-R72 WeakPolarHBondContact O-CG 3.48Å; I68-R72 PolarHBondContact O-N 2.86Å; I68-I141 HydrophobicContact CD1-CD1 3.89Å; I68-I141 HydrophobicContact CD1-CG1 4.2Å; I68-I141 HydrophobicContact CG2-CD1 4.17Å; I68-Y157 HydrophobicContact CD1-CD2 4.46Å; I68-Y157 HydrophobicContact CD1-CG 4.45Å; I68-Y157 HydrophobicContact CG2-CD2 3.75Å; I68-Y157 HydrophobicContact CG2-CE2 3.78Å; I68-Y157 HydrophobicContact CG2-CG 4.37Å; I68-V173 HydrophobicContact CG1-CG1 3.98Å; I68-V173 HydrophobicContact CG1-CG2 4.27Å
69	A	98.9	Very high	98.8	Very high	5 Å²	5	26.8 Å²	26.8	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-40.4	178.8	0	0	0	0	0	112.4	A65 Q66 R72 A73 L102 N105 V107	A65-A69 WeakPolarHBondContact O-CB 3.21Å; A65-A69 PolarHBondContact O-N 3.28Å; Q66-A69 PolarHBondContact O-N 2.87Å; A69-R72 WeakPolarHBondContact O-CG 3.19Å; A69-A73 WeakPolarHBondContact O-CB 3.22Å; A69-A73 PolarHBondContact O-N 2.82Å; A69-L102 HydrophobicContact CB-CD2 3.98Å; A69-N105 HydrophobicContact CB-CB 3.87Å; A69-V107 HydrophobicContact CB-CG2 4.42Å
70	E	98.9	Very high	98.8	Very high	39 Å²	39	26.9 Å²	26.9	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-67.6	-44.6	174.4	-71.4	172.8	-168.7	0	0	112.1	Q66 A67 I68 A73 K74 R176	Q66-E70 PolarHBondContact NE2-OE1 2.86Å; Q66-E70 WeakPolarHBondContact O-CG 3.43Å; Q66-E70 PolarHBondContact O-N 3.48Å; A67-E70 PolarHBondContact O-N 3.11Å; I68-E70 VanDerWaalsContact C-N 3.3Å; I68-E70 PolarHBondContact O-N 3.3Å; E70-A73 PolarHBondContact O-N 3.16Å; E70-K74 VanDerWaalsContact O-CG 3.3Å; E70-K74 WeakPolarHBondContact O-CG 3.48Å; E70-K74 PolarHBondContact O-N 3.43Å; E70-R176 IonicContact OE1-CZ 3.55Å; E70-R176 IonicContact OE1-NE 3.43Å; E70-R176 IonicContact OE1-NH2 3.62Å; E70-R176 PolarHBondContact OE1-NH2 2.97Å; E70-R176 IonicContact OE2-CZ 2.72Å; E70-R176 IonicContact OE2-NE 3.32Å; E70-R176 PolarHBondContact OE2-NE 2.91Å; E70-R176 IonicContact OE2-NH2 3.76Å; E70-R176 PolarHBondContact OE2-NH2 2.75Å
71	E	98.8	Very high	98.8	Very high	24 Å²	24	26.9 Å²	26.9	11%	0.112	16%	0.161	C	C	.	.	H	α-helix	trans	-70.4	-41.7	-174.8	-170.3	55.9	-156.4	0	0	112.4	A67 I68 A73 K74 N75 V169 V172 V173	A67-E71 VanDerWaalsContact O-CB 3.29Å; A67-E71 WeakPolarHBondContact O-CB 3.42Å; A67-E71 PolarHBondContact O-N 2.97Å; I68-E71 PolarHBondContact O-N 3.09Å; I68-E71 VanDerWaalsContact O-N 3.17Å; E71-A73 VanDerWaalsContact C-N 3.31Å; E71-A73 PolarHBondContact O-N 3.02Å; E71-K74 PolarHBondContact O-N 3.14Å; E71-K74 IonicContact OE2-NZ 3.75Å; E71-N75 PolarHBondContact O-N 3.04Å; E71-N75 PolarHBondContact O-ND2 2.7Å; E71-N75 PolarHBondContact OE1-ND2 3.5Å; E71-V169 HydrophobicContact CG-CG1 4.43Å; E71-V172 WeakPolarHBondContact OE2-CG1 3.25Å; E71-V173 HydrophobicContact CB-CG2 4.34Å; E71-V173 HydrophobicContact CG-CG2 4.41Å
72	R	98.8	Very high	98.8	Very high	10 Å²	10	27.7 Å²	27.7	4%	0.038	16%	0.164	C	C	.	.	H	α-helix	trans	-62.4	-39.8	175.2	74.9	-174.2	-61.5	-81.8	6.6	111.7	I68 A69 N75 G76 I77 G79 D139	I68-R72 WeakPolarHBondContact O-CB 3.38Å; I68-R72 WeakPolarHBondContact O-CG 3.48Å; I68-R72 PolarHBondContact O-N 2.86Å; A69-R72 WeakPolarHBondContact O-CG 3.19Å; R72-N75 CarbonylContact O-C 3.54Å; R72-N75 PolarHBondContact O-N 2.94Å; R72-G76 PolarHBondContact O-N 3.38Å; R72-I77 HydrophobicContact CB-CB 4.11Å; R72-I77 HydrophobicContact CB-CD1 4.14Å; R72-I77 PolarHBondContact NH1-O 3.4Å; R72-I77 VanDerWaalsContact NH1-O 3.14Å; R72-I77 WeakPolarHBondContact O-CB 3.4Å; R72-I77 PolarHBondContact O-N 3.13Å; R72-G79 PolarHBondContact NH2-O 2.89Å; R72-D139 WeakPolarHBondContact CB-OD2 3.4Å; R72-D139 IonicContact CZ-OD1 3.8Å; R72-D139 IonicContact CZ-OD2 2.74Å; R72-D139 IonicContact NE-OD1 3.48Å; R72-D139 PolarHBondContact NE-OD1 2.77Å; R72-D139 IonicContact NE-OD2 3.65Å; R72-D139 PolarHBondContact NE-OD2 2.98Å; R72-D139 IonicContact NH2-OD1 3.52Å; R72-D139 PolarHBondContact NH2-OD1 3.07Å; R72-D139 IonicContact NH2-OD2 3.38Å; R72-D139 PolarHBondContact NH2-OD2 2.81Å
73	A	98.7	Very high	98.8	Very high	64 Å²	64	27.5 Å²	27.5	53%	0.529	16%	0.163	S	C	.	.	H	α-helix	trans	-66.5	-41.9	177.5	0	0	0	0	0	112	A69 E70 E71 N75 G76	A69-A73 WeakPolarHBondContact O-CB 3.22Å; A69-A73 PolarHBondContact O-N 2.82Å; E70-A73 PolarHBondContact O-N 3.16Å; E71-A73 VanDerWaalsContact C-N 3.31Å; E71-A73 PolarHBondContact O-N 3.02Å; A73-N75 PolarHBondContact O-N 2.85Å; A73-G76 PolarHBondContact O-N 3.25Å; A73-G76 VanDerWaalsContact O-N 3.08Å
74	K	98.6	Very high	98.8	Very high	139 Å²	139	27.5 Å²	27.5	60%	0.604	16%	0.163	S	C	*	.	H	α-helix	trans	-59.6	-36.2	173.7	-73.6	169.1	-168.5	164.6	0	112.4	E70 E71 G76	E70-K74 VanDerWaalsContact O-CG 3.3Å; E70-K74 WeakPolarHBondContact O-CG 3.48Å; E70-K74 PolarHBondContact O-N 3.43Å; E71-K74 PolarHBondContact O-N 3.14Å; E71-K74 IonicContact OE2-NZ 3.75Å; K74-G76 PolarHBondContact O-N 3.15Å
75	N	98.4	Very high	98.8	Very high	90 Å²	90	27.6 Å²	27.6	48%	0.481	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	10	178.2	-67.9	-48.5	0	0	0	113.6	E71 R72 A73 I77	E71-N75 PolarHBondContact O-N 3.04Å; E71-N75 PolarHBondContact O-ND2 2.7Å; E71-N75 PolarHBondContact OE1-ND2 3.5Å; R72-N75 CarbonylContact O-C 3.54Å; R72-N75 PolarHBondContact O-N 2.94Å; A73-N75 PolarHBondContact O-N 2.85Å; N75-I77 VanDerWaalsContact C-N 3.28Å; N75-I77 HydrophobicContact CB-CD1 4.23Å; N75-I77 HydrophobicContact CB-CG1 4.28Å; N75-I77 PolarHBondContact O-N 3.17Å
76	G	98.5	Very high	98.8	Very high	48 Å²	48	27.6 Å²	27.6	50%	0.495	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	18.9	175.9	0	0	0	0	0	114.5	R72 A73 K74 T78	R72-G76 PolarHBondContact O-N 3.38Å; A73-G76 PolarHBondContact O-N 3.25Å; A73-G76 VanDerWaalsContact O-N 3.08Å; K74-G76 PolarHBondContact O-N 3.15Å; G76-T78 PolarHBondContact O-N 3.35Å
77	I	98.9	Very high	98.8	Very high	9 Å²	9	27.6 Å²	27.6	5%	0.046	16%	0.164	C	C	.	.			trans	-85.3	104.7	179.3	-53.1	171.1	0	0	0	108.3	R72 N75 L137 D139 P160	R72-I77 HydrophobicContact CB-CB 4.11Å; R72-I77 HydrophobicContact CB-CD1 4.14Å; R72-I77 PolarHBondContact NH1-O 3.4Å; R72-I77 VanDerWaalsContact NH1-O 3.14Å; R72-I77 WeakPolarHBondContact O-CB 3.4Å; R72-I77 PolarHBondContact O-N 3.13Å; N75-I77 VanDerWaalsContact C-N 3.28Å; N75-I77 HydrophobicContact CB-CD1 4.23Å; N75-I77 HydrophobicContact CB-CG1 4.28Å; N75-I77 PolarHBondContact O-N 3.17Å; I77-L137 HydrophobicContact CG2-CB 4.29Å; I77-L137 WeakPolarHBondContact CG2-O 3.35Å; I77-D139 HydrophobicContact CG2-CB 4.24Å; I77-P160 HydrophobicContact CD1-CG 3.49Å; I77-P160 VanDerWaalsContact CD1-CG 3.49Å; I77-P160 HydrophobicContact CG1-CG 3.81Å; I77-P160 HydrophobicContact CG2-CG 4.28Å
78	T	98.7	Very high	98.8	Very high	103 Å²	103	27.5 Å²	27.5	63%	0.632	16%	0.163	S	C	*	.			trans	-116.5	-5.8	-173.4	57.6	0	0	0	0	114.1	G76	G76-T78 PolarHBondContact O-N 3.35Å
79	G	98.8	Very high	98.8	Very high	4 Å²	4	27.4 Å²	27.4	4%	0.041	16%	0.163	C	C	.	.	S	Bend	trans	-76.4	-170.9	171.9	0	0	0	0	0	112.4	R72 L137	R72-G79 PolarHBondContact NH2-O 2.89Å; G79-L137 WeakPolarHBondContact CA-O 3.48Å; G79-L137 PolarHBondContact N-O 2.6Å
80	P	98.9	Very high	98.8	Very high	17 Å²	17	27.2 Å²	27.2	11%	0.11	16%	0.161	C	C	.	.			trans	-72	153.5	-175.7	30.3	-35.2	0	0	0	112.7	Y82 D108 I110 A138 D139	P80-Y82 HydrophobicContact CG-CE2 4.45Å; P80-D108 CarbonylContact C-O 3.52Å; P80-D108 VanDerWaalsContact CA-O 3.24Å; P80-D108 WeakPolarHBondContact CA-O 3.48Å; P80-I110 HydrophobicContact CB-CD1 3.71Å; P80-I110 HydrophobicContact CB-CG1 3.96Å; P80-I110 HydrophobicContact CG-CD1 3.84Å; P80-A138 HydrophobicContact CG-CB 3.95Å; P80-A138 WeakPolarHBondContact O-CA 3.32Å; P80-A138 VanDerWaalsContact O-CB 3.3Å; P80-A138 WeakPolarHBondContact O-CB 3.35Å; P80-D139 PolarHBondContact O-N 3.45Å
81	C	99	Very high	98.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117	166.9	-165.4	0	0	0	0	109.6	V83 L102 V107 D108 V109 I110 D139	C81-V83 PolarHBondContact O-N 2.84Å; C81-L102 HydrophobicContact CB-CD1 4.27Å; C81-V107 HydrophobicContact CB-CG1 3.9Å; C81-D108 PolarHBondContact N-O 3.35Å; C81-V109 WeakPolarHBondContact O-CA 3.44Å; C81-I110 PolarHBondContact O-N 2.87Å; C81-D139 WeakPolarHBondContact CA-O 3.2Å; C81-D139 VanDerWaalsContact CA-OD1 3.28Å; C81-D139 WeakPolarHBondContact CA-OD1 3.28Å; C81-D139 WeakPolarHBondContact CB-OD1 3.26Å; C81-D139 PolarHBondContact SG-OD1 2.88Å
82	Y	99	Very high	98.8	Very high	18 Å²	18	26 Å²	26	7%	0.071	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.5	172.7	-71	-86.9	0	0	0	109.6	P80 I110 A126 I127 H130 A138 D139 G140 I141 L207	P80-Y82 HydrophobicContact CG-CE2 4.45Å; Y82-I110 WeakPolarHBondContact CA-O 3.29Å; Y82-I110 HydrophobicContact CD1-CB 3.75Å; Y82-I110 HydrophobicContact CD1-CD1 4.39Å; Y82-I110 HydrophobicContact CD1-CG2 3.72Å; Y82-I110 HydrophobicContact CE1-CB 3.86Å; Y82-I110 HydrophobicContact CE1-CD1 3.7Å; Y82-I110 HydrophobicContact CE1-CG1 4.38Å; Y82-I110 HydrophobicContact CE1-CG2 3.64Å; Y82-I110 HydrophobicContact CE2-CD1 4.5Å; Y82-I110 HydrophobicContact CG-CB 4.47Å; Y82-A126 HydrophobicContact CD1-CB 3.85Å; Y82-A126 HydrophobicContact CD2-CB 4.33Å; Y82-A126 HydrophobicContact CE1-CB 3.76Å; Y82-A126 HydrophobicContact CE2-CB 4.24Å; Y82-A126 HydrophobicContact CG-CB 4.14Å; Y82-I127 HydrophobicContact CD2-CG1 4.01Å; Y82-H130 HydrophobicContact CE2-CB 4.11Å; Y82-A138 HydrophobicContact CD2-CB 4.19Å; Y82-A138 HydrophobicContact CE2-CB 3.84Å; Y82-D139 PolarHBondContact N-O 2.92Å; Y82-G140 CarbonylContact O-C 3.14Å; Y82-G140 WeakPolarHBondContact O-CA 3.32Å; Y82-I141 PolarHBondContact O-N 3.42Å; Y82-L207 HydrophobicContact CD1-CD2 4.27Å; Y82-L207 HydrophobicContact CE1-CD2 4.1Å
83	V	99	Very high	98.8	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	103.8	-178.6	-177	0	0	0	0	109.2	C81 F95 V98 L102 V109 I110 V111 I141 I143	C81-V83 PolarHBondContact O-N 2.84Å; V83-F95 HydrophobicContact CB-CE2 4.38Å; V83-F95 HydrophobicContact CG1-CD2 3.78Å; V83-F95 HydrophobicContact CG1-CE2 3.87Å; V83-V98 HydrophobicContact CG1-CG1 3.94Å; V83-V98 HydrophobicContact CG2-CG1 4.08Å; V83-L102 HydrophobicContact CG2-CD1 3.9Å; V83-V109 HydrophobicContact CB-CG1 4.03Å; V83-V109 HydrophobicContact CG2-CG1 3.57Å; V83-I110 PolarHBondContact N-O 2.77Å; V83-V111 HydrophobicContact CB-CG1 4.38Å; V83-I141 WeakPolarHBondContact CA-O 3.12Å; V83-I141 HydrophobicContact CG1-CB 4.45Å; V83-I141 HydrophobicContact CG2-CB 4.3Å; V83-I143 HydrophobicContact CG1-CD1 4Å
84	G	98.9	Very high	98.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	148	176.9	0	0	0	0	0	112	I141 V142 I143	G84-I141 PolarHBondContact N-O 2.99Å; G84-V142 WeakPolarHBondContact O-CA 3.05Å; G84-I143 PolarHBondContact O-N 2.83Å
85	K	98.9	Very high	98.9	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.7	173.9	65.6	177.1	174.3	72.7	0	111.7	E92 F95 N115 G116 F117 T118 I143	K85-E92 WeakPolarHBondContact CE-OE1 3.5Å; K85-E92 WeakPolarHBondContact CE-OE2 3.39Å; K85-E92 IonicContact NZ-OE1 3.74Å; K85-E92 PolarHBondContact NZ-OE1 2.67Å; K85-E92 IonicContact NZ-OE2 3.77Å; K85-E92 PolarHBondContact NZ-OE2 3.27Å; K85-F95 HydrophobicContact CB-CD2 4.49Å; K85-F95 HydrophobicContact CD-CB 3.97Å; K85-F95 HydrophobicContact CD-CD1 4.21Å; K85-F95 HydrophobicContact CD-CD2 4.23Å; K85-F95 HydrophobicContact CD-CG 3.9Å; K85-N115 WeakPolarHBondContact CE-OD1 3.36Å; K85-N115 PolarHBondContact NZ-ND2 2.95Å; K85-N115 PolarHBondContact NZ-O 3.03Å; K85-G116 PolarHBondContact NZ-O 2.57Å; K85-F117 HydrophobicContact CG-CD1 4.46Å; K85-F117 WeakPolarHBondContact O-CA 3.13Å; K85-T118 PolarHBondContact O-N 2.82Å; K85-I143 WeakPolarHBondContact CA-O 3.49Å; K85-I143 HydrophobicContact CB-CB 4.11Å
86	D	98.8	Very high	98.9	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.092	C	C	.	.			trans	-87.9	-167.2	167.4	80.6	-9	0	0	0	112.4	H88 S91 F117 I143 T144 P145 P305	D86-H88 WeakPolarHBondContact OD1-CB 3.49Å; D86-H88 IonicContact OD1-CG 3.34Å; D86-H88 PolarHBondContact OD1-N 3.08Å; D86-H88 IonicContact OD1-ND1 3Å; D86-H88 IonicContact OD2-CE1 3.52Å; D86-H88 IonicContact OD2-CG 3.42Å; D86-H88 IonicContact OD2-ND1 2.78Å; D86-H88 PolarHBondContact OD2-ND1 3.11Å; D86-S91 WeakPolarHBondContact OD1-CB 3.49Å; D86-S91 PolarHBondContact OD1-OG 3.39Å; D86-F117 VanDerWaalsContact O-CD1 3.26Å; D86-F117 WeakPolarHBondContact O-CD1 3.36Å; D86-I143 PolarHBondContact N-O 2.8Å; D86-T144 VanDerWaalsContact CG-OG1 3.27Å; D86-T144 VanDerWaalsContact OD2-CB 3.32Å; D86-T144 WeakPolarHBondContact OD2-CB 3.26Å; D86-T144 PolarHBondContact OD2-OG1 3.36Å; D86-P145 WeakPolarHBondContact OD2-CD 3.45Å; D86-P305 HydrophobicContact CB-CB 4.5Å
87	T	98.9	Very high	98.9	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	7%	0.069	C	C	.	.	S	Bend	trans	-92.6	4.6	-173.4	53.7	0	0	0	0	114.5	F117 G237 V262	T87-F117 HydrophobicContact CG2-CB 4.46Å; T87-F117 HydrophobicContact CG2-CD1 3.73Å; T87-F117 HydrophobicContact CG2-CD2 3.74Å; T87-F117 HydrophobicContact CG2-CE1 3.8Å; T87-F117 HydrophobicContact CG2-CE2 3.81Å; T87-F117 HydrophobicContact CG2-CG 3.7Å; T87-F117 HydrophobicContact CG2-CZ 3.84Å; T87-G237 VanDerWaalsContact CB-O 3.23Å; T87-G237 WeakPolarHBondContact CB-O 3.48Å; T87-G237 VanDerWaalsContact CG2-O 3.27Å; T87-G237 WeakPolarHBondContact CG2-O 3.33Å; T87-G237 PolarHBondContact OG1-O 3.5Å; T87-V262 HydrophobicContact CG2-CG1 4.13Å
88	H	98.9	Very high	98.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.			trans	-66.7	147.5	176.6	-81.7	80.6	0	0	0	112.1	D86 L90 S91 P145 S146 N148 P149 D152 M279	D86-H88 WeakPolarHBondContact OD1-CB 3.49Å; D86-H88 IonicContact OD1-CG 3.34Å; D86-H88 PolarHBondContact OD1-N 3.08Å; D86-H88 IonicContact OD1-ND1 3Å; D86-H88 IonicContact OD2-CE1 3.52Å; D86-H88 IonicContact OD2-CG 3.42Å; D86-H88 IonicContact OD2-ND1 2.78Å; D86-H88 PolarHBondContact OD2-ND1 3.11Å; H88-L90 VanDerWaalsContact C-N 3.29Å; H88-L90 PolarHBondContact O-N 3.39Å; H88-S91 WeakPolarHBondContact O-CB 3.42Å; H88-S91 PolarHBondContact O-N 2.94Å; H88-S91 VanDerWaalsContact O-N 3.08Å; H88-P145 HydrophobicContact CB-CG 4.39Å; H88-S146 PolarHBondContact CE1-O 2.87Å; H88-N148 PolarHBondContact NE2-O 3Å; H88-N148 VanDerWaalsContact NE2-O 3.09Å; H88-P149 PolarHBondContact NE2-O 3.29Å; H88-D152 PolarHBondContact CD2-O 3.37Å; H88-M279 WeakPolarHBondContact NE2-CE 3.48Å
89	A	98.9	Very high	98.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-43	179.6	0	0	0	0	0	113	V19 L22 S91 P93 Q264	V19-A89 HydrophobicContact CG1-CB 3.99Å; L22-A89 HydrophobicContact CD2-CB 4.27Å; A89-S91 VanDerWaalsContact C-N 3.27Å; A89-S91 PolarHBondContact O-N 2.69Å; A89-P93 WeakPolarHBondContact O-CD 3.4Å; A89-Q264 HydrophobicContact CB-CB 4.21Å; A89-Q264 HydrophobicContact CB-CG 4.5Å
90	L	98.9	Very high	98.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.8	-177.7	-68.4	179.3	0	0	0	113.6	L22 Y26 A51 F56 H88 E92 P93 A94 E151	L22-L90 HydrophobicContact CD1-CD1 4.34Å; L22-L90 HydrophobicContact CD2-CD1 4.31Å; L22-L90 HydrophobicContact CD2-CD2 4.46Å; L22-L90 HydrophobicContact CD2-CG 4.08Å; L22-L90 HydrophobicContact CG-CD1 4.31Å; L22-L90 HydrophobicContact CG-CD2 4.03Å; L22-L90 HydrophobicContact CG-CG 4.15Å; Y26-L90 HydrophobicContact CD2-CD2 4.23Å; A51-L90 HydrophobicContact CB-CD1 3.94Å; A51-L90 HydrophobicContact CB-CD2 3.8Å; F56-L90 HydrophobicContact CB-CD1 4.47Å; F56-L90 HydrophobicContact CD1-CB 3.84Å; F56-L90 HydrophobicContact CD1-CD1 3.92Å; F56-L90 HydrophobicContact CD1-CG 4.38Å; F56-L90 HydrophobicContact CE1-CB 3.79Å; H88-L90 VanDerWaalsContact C-N 3.29Å; H88-L90 PolarHBondContact O-N 3.39Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-P93 HydrophobicContact CD2-CG 4.3Å; L90-P93 WeakPolarHBondContact O-CD 3.17Å; L90-P93 WeakPolarHBondContact O-CG 3.39Å; L90-A94 VanDerWaalsContact O-CB 3.28Å; L90-A94 WeakPolarHBondContact O-CB 2.97Å; L90-A94 PolarHBondContact O-N 2.83Å; L90-E151 VanDerWaalsContact CD1-O 3.3Å; L90-E151 WeakPolarHBondContact CD1-O 3.33Å
91	S	98.9	Very high	98.9	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-70.5	-32	174.8	-60.2	0	0	0	0	112	D86 H88 A89 F95 I143	D86-S91 WeakPolarHBondContact OD1-CB 3.49Å; D86-S91 PolarHBondContact OD1-OG 3.39Å; H88-S91 WeakPolarHBondContact O-CB 3.42Å; H88-S91 PolarHBondContact O-N 2.94Å; H88-S91 VanDerWaalsContact O-N 3.08Å; A89-S91 VanDerWaalsContact C-N 3.27Å; A89-S91 PolarHBondContact O-N 2.69Å; S91-F95 WeakPolarHBondContact O-CB 3.48Å; S91-F95 PolarHBondContact O-N 3.48Å; S91-I143 PolarHBondContact OG-O 3Å
92	E	98.9	Very high	98.9	Very high	39 Å²	39	7 Å²	7	18%	0.182	3%	0.034	C	C	.	.	H	α-helix	trans	-63.7	-56	176.6	-59	-64.3	155.3	0	0	113.4	K85 L90 A94 F95 I96 N115	K85-E92 WeakPolarHBondContact CE-OE1 3.5Å; K85-E92 WeakPolarHBondContact CE-OE2 3.39Å; K85-E92 IonicContact NZ-OE1 3.74Å; K85-E92 PolarHBondContact NZ-OE1 2.67Å; K85-E92 IonicContact NZ-OE2 3.77Å; K85-E92 PolarHBondContact NZ-OE2 3.27Å; L90-E92 VanDerWaalsContact C-N 3.34Å; E92-A94 VanDerWaalsContact C-N 3.32Å; E92-A94 PolarHBondContact O-N 3.16Å; E92-F95 WeakPolarHBondContact O-CB 3.47Å; E92-F95 PolarHBondContact O-N 3.44Å; E92-I96 PolarHBondContact O-N 3.49Å; E92-N115 PolarHBondContact OE2-ND2 3.05Å
93	P	98.9	Very high	98.9	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.013	3%	0.032	C	C	.	.	H	α-helix	trans	-66.5	-34.3	178.6	28.4	-37.3	0	0	0	112.3	T23 Y26 Y27 A89 L90 I96 S97	T23-P93 HydrophobicContact CG2-CG 4.27Å; Y26-P93 HydrophobicContact CD1-CB 3.63Å; Y26-P93 HydrophobicContact CD1-CG 4.21Å; Y26-P93 HydrophobicContact CD2-CB 4.28Å; Y26-P93 HydrophobicContact CD2-CG 4.04Å; Y26-P93 HydrophobicContact CE1-CB 3.73Å; Y26-P93 HydrophobicContact CE2-CB 4.36Å; Y26-P93 HydrophobicContact CE2-CG 4.34Å; Y26-P93 HydrophobicContact CG-CB 3.91Å; Y26-P93 HydrophobicContact CG-CG 3.97Å; Y27-P93 HydrophobicContact CE2-CB 3.99Å; Y27-P93 VanDerWaalsContact OH-CB 3.27Å; Y27-P93 WeakPolarHBondContact OH-CB 3.48Å; A89-P93 WeakPolarHBondContact O-CD 3.4Å; L90-P93 HydrophobicContact CD2-CG 4.3Å; L90-P93 WeakPolarHBondContact O-CD 3.17Å; L90-P93 WeakPolarHBondContact O-CG 3.39Å; P93-I96 PolarHBondContact O-N 2.87Å; P93-S97 PolarHBondContact O-N 2.8Å; P93-S97 VanDerWaalsContact O-N 3.11Å; P93-S97 PolarHBondContact O-OG 3.18Å
94	A	99	Very high	98.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.7	-40.5	175.1	0	0	0	0	0	112.4	F56 I61 L90 E92 I96 S97 V98 I143	F56-A94 HydrophobicContact CE1-CB 3.79Å; F56-A94 HydrophobicContact CZ-CB 3.83Å; I61-A94 HydrophobicContact CD1-CB 4.27Å; I61-A94 HydrophobicContact CG1-CB 3.96Å; I61-A94 HydrophobicContact CG2-CB 4.11Å; I61-A94 WeakPolarHBondContact CG2-O 3.46Å; L90-A94 VanDerWaalsContact O-CB 3.28Å; L90-A94 WeakPolarHBondContact O-CB 2.97Å; L90-A94 PolarHBondContact O-N 2.83Å; E92-A94 VanDerWaalsContact C-N 3.32Å; E92-A94 PolarHBondContact O-N 3.16Å; A94-I96 PolarHBondContact O-N 3.22Å; A94-S97 PolarHBondContact O-N 2.87Å; A94-V98 WeakPolarHBondContact O-CG2 3.28Å; A94-V98 PolarHBondContact O-N 2.93Å; A94-I143 HydrophobicContact CB-CG2 3.81Å
95	F	99	Very high	98.9	Very high	15 Å²	15	9.3 Å²	9.3	7%	0.066	5%	0.051	C	C	.	.	H	α-helix	trans	-57.5	-48.6	175.1	177.6	-107.4	0	0	0	111.5	V83 K85 S91 E92 S97 V98 L99 V111 I143	V83-F95 HydrophobicContact CB-CE2 4.38Å; V83-F95 HydrophobicContact CG1-CD2 3.78Å; V83-F95 HydrophobicContact CG1-CE2 3.87Å; K85-F95 HydrophobicContact CB-CD2 4.49Å; K85-F95 HydrophobicContact CD-CB 3.97Å; K85-F95 HydrophobicContact CD-CD1 4.21Å; K85-F95 HydrophobicContact CD-CD2 4.23Å; K85-F95 HydrophobicContact CD-CG 3.9Å; S91-F95 WeakPolarHBondContact O-CB 3.48Å; S91-F95 PolarHBondContact O-N 3.48Å; E92-F95 WeakPolarHBondContact O-CB 3.47Å; E92-F95 PolarHBondContact O-N 3.44Å; F95-S97 PolarHBondContact O-N 2.79Å; F95-V98 PolarHBondContact O-N 3.29Å; F95-L99 HydrophobicContact CD1-CD1 4.17Å; F95-L99 HydrophobicContact CE1-CD1 3.65Å; F95-L99 HydrophobicContact CE1-CG 4.37Å; F95-L99 HydrophobicContact CE2-CD1 4.49Å; F95-L99 HydrophobicContact CE2-CD2 4.32Å; F95-L99 HydrophobicContact CZ-CD1 3.84Å; F95-L99 HydrophobicContact CZ-CD2 4.35Å; F95-L99 HydrophobicContact CZ-CG 4.34Å; F95-L99 WeakPolarHBondContact O-CG 3.31Å; F95-L99 PolarHBondContact O-N 3.12Å; F95-V111 HydrophobicContact CE2-CB 4.19Å; F95-V111 HydrophobicContact CE2-CG1 3.7Å; F95-V111 HydrophobicContact CZ-CB 3.83Å; F95-V111 HydrophobicContact CZ-CG1 3.57Å; F95-V111 HydrophobicContact CZ-CG2 4.37Å; F95-I143 HydrophobicContact CB-CD1 3.78Å; F95-I143 HydrophobicContact CD2-CD1 4.03Å; F95-I143 HydrophobicContact CG-CD1 4.42Å
96	I	98.9	Very high	98.9	Very high	48 Å²	48	11.2 Å²	11.2	25%	0.246	7%	0.072	C	C	.	.	H	α-helix	trans	-56.8	-50.6	176.1	-66.2	169.3	0	0	0	111	E92 P93 A94 V98 L99 E100 L193	E92-I96 PolarHBondContact O-N 3.49Å; P93-I96 PolarHBondContact O-N 2.87Å; A94-I96 PolarHBondContact O-N 3.22Å; I96-V98 VanDerWaalsContact C-N 3.27Å; I96-V98 PolarHBondContact O-N 3.01Å; I96-L99 PolarHBondContact O-N 3.03Å; I96-L99 VanDerWaalsContact O-N 3.11Å; I96-E100 HydrophobicContact CG2-CG 4.27Å; I96-E100 WeakPolarHBondContact O-CG 3.31Å; I96-E100 PolarHBondContact O-N 3.15Å; I96-L193 HydrophobicContact CD1-CD2 4.25Å; I96-L193 HydrophobicContact CG1-CD2 4.07Å; I96-L193 HydrophobicContact CG2-CB 4.23Å; I96-L193 HydrophobicContact CG2-CD1 4.31Å; I96-L193 HydrophobicContact CG2-CD2 4.04Å; I96-L193 HydrophobicContact CG2-CG 4.42Å
97	S	99	Very high	98.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.1	-33.3	179.6	-67.3	0	0	0	0	113.5	Y26 P93 A94 F95 V101	Y26-S97 PolarHBondContact OH-OG 2.9Å; Y26-S97 VanDerWaalsContact OH-OG 3.12Å; P93-S97 PolarHBondContact O-N 2.8Å; P93-S97 VanDerWaalsContact O-N 3.11Å; P93-S97 PolarHBondContact O-OG 3.18Å; A94-S97 PolarHBondContact O-N 2.87Å; F95-S97 PolarHBondContact O-N 2.79Å; S97-V101 WeakPolarHBondContact O-CG2 3.24Å; S97-V101 PolarHBondContact O-N 2.9Å
98	V	99	Very high	98.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.5	-48.2	173.1	170.3	0	0	0	0	110.5	I61 A65 V83 A94 F95 I96 E100 V101 L102 I141 I143 I155	I61-V98 HydrophobicContact CG2-CG2 3.78Å; A65-V98 HydrophobicContact CB-CG2 4.3Å; V83-V98 HydrophobicContact CG1-CG1 3.94Å; V83-V98 HydrophobicContact CG2-CG1 4.08Å; A94-V98 WeakPolarHBondContact O-CG2 3.28Å; A94-V98 PolarHBondContact O-N 2.93Å; F95-V98 PolarHBondContact O-N 3.29Å; I96-V98 VanDerWaalsContact C-N 3.27Å; I96-V98 PolarHBondContact O-N 3.01Å; V98-E100 PolarHBondContact O-N 3.35Å; V98-V101 PolarHBondContact O-N 3.01Å; V98-L102 HydrophobicContact CG1-CD1 3.61Å; V98-L102 HydrophobicContact CG1-CG 3.92Å; V98-L102 WeakPolarHBondContact O-CB 3.17Å; V98-L102 WeakPolarHBondContact O-CG 3.05Å; V98-L102 PolarHBondContact O-N 3.03Å; V98-I141 HydrophobicContact CG1-CD1 3.93Å; V98-I143 HydrophobicContact CB-CD1 4.49Å; V98-I143 HydrophobicContact CG2-CD1 4.1Å; V98-I155 HydrophobicContact CG2-CD1 3.7Å
99	L	98.9	Very high	98.9	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-60.1	-45.9	179.8	-61.8	-172.4	0	0	0	112.1	F95 I96 V101 A103 V109 V111 L193 V202	F95-L99 HydrophobicContact CD1-CD1 4.17Å; F95-L99 HydrophobicContact CE1-CD1 3.65Å; F95-L99 HydrophobicContact CE1-CG 4.37Å; F95-L99 HydrophobicContact CE2-CD1 4.49Å; F95-L99 HydrophobicContact CE2-CD2 4.32Å; F95-L99 HydrophobicContact CZ-CD1 3.84Å; F95-L99 HydrophobicContact CZ-CD2 4.35Å; F95-L99 HydrophobicContact CZ-CG 4.34Å; F95-L99 WeakPolarHBondContact O-CG 3.31Å; F95-L99 PolarHBondContact O-N 3.12Å; I96-L99 PolarHBondContact O-N 3.03Å; I96-L99 VanDerWaalsContact O-N 3.11Å; L99-V101 VanDerWaalsContact C-N 3.26Å; L99-V101 PolarHBondContact O-N 2.71Å; L99-A103 VanDerWaalsContact O-CB 3.23Å; L99-A103 WeakPolarHBondContact O-CB 3.06Å; L99-A103 PolarHBondContact O-N 3.45Å; L99-V109 HydrophobicContact CD2-CB 4.47Å; L99-V109 HydrophobicContact CD2-CG1 3.71Å; L99-V111 HydrophobicContact CD2-CG1 3.91Å; L99-L193 HydrophobicContact CB-CD1 4.44Å; L99-L193 HydrophobicContact CD1-CD1 4.15Å; L99-V202 HydrophobicContact CD1-CG1 4.41Å; L99-V202 HydrophobicContact CD2-CG1 4.47Å
100	E	98.9	Very high	98.9	Very high	16 Å²	16	15.2 Å²	15.2	8%	0.075	9%	0.093	C	C	.	.	H	α-helix	trans	-56.9	-38.5	178.7	-73.1	-177.3	147.1	0	0	112.7	I96 V98 A104 R190 I191 L193	I96-E100 HydrophobicContact CG2-CG 4.27Å; I96-E100 WeakPolarHBondContact O-CG 3.31Å; I96-E100 PolarHBondContact O-N 3.15Å; V98-E100 PolarHBondContact O-N 3.35Å; E100-A104 WeakPolarHBondContact O-CB 3.13Å; E100-A104 PolarHBondContact O-N 3.36Å; E100-R190 HydrophobicContact CB-CG 4Å; E100-R190 IonicContact OE1-NE 3.77Å; E100-R190 IonicContact OE1-NH2 2.9Å; E100-R190 PolarHBondContact OE1-NH2 3.23Å; E100-R190 IonicContact OE2-CZ 2.75Å; E100-R190 IonicContact OE2-NE 3.21Å; E100-R190 PolarHBondContact OE2-NE 3.01Å; E100-R190 IonicContact OE2-NH2 2.77Å; E100-R190 PolarHBondContact OE2-NH2 3.49Å; E100-I191 VanDerWaalsContact CB-O 3.24Å; E100-I191 WeakPolarHBondContact CB-O 3.21Å; E100-I191 VanDerWaalsContact CG-O 3.26Å; E100-I191 WeakPolarHBondContact CG-O 3.44Å; E100-I191 PolarHBondContact O-N 3.23Å; E100-L193 HydrophobicContact CG-CB 4.45Å; E100-L193 PolarHBondContact OE1-N 3.12Å
101	V	99	Very high	98.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-86.2	-41.1	-177.5	174.4	0	0	0	0	112.4	L62 A65 Q66 S97 V98 L99 A104 N105 V188 K189	L62-V101 HydrophobicContact CD2-CG2 3.43Å; L62-V101 VanDerWaalsContact CD2-CG2 3.43Å; A65-V101 HydrophobicContact CB-CB 3.78Å; A65-V101 HydrophobicContact CB-CG1 3.78Å; A65-V101 HydrophobicContact CB-CG2 4.35Å; Q66-V101 HydrophobicContact CB-CG1 3.97Å; S97-V101 WeakPolarHBondContact O-CG2 3.24Å; S97-V101 PolarHBondContact O-N 2.9Å; V98-V101 PolarHBondContact O-N 3.01Å; L99-V101 VanDerWaalsContact C-N 3.26Å; L99-V101 PolarHBondContact O-N 2.71Å; V101-A104 PolarHBondContact O-N 2.97Å; V101-N105 PolarHBondContact O-N 2.89Å; V101-N105 PolarHBondContact O-ND2 3.5Å; V101-V188 HydrophobicContact CG1-CG1 4.39Å; V101-V188 HydrophobicContact CG2-CG1 3.82Å; V101-K189 WeakPolarHBondContact CA-O 3.41Å
102	L	98.9	Very high	98.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-47.6	178.6	-69.7	-169.5	0	0	0	110.9	A69 C81 V83 V98 A104 N105 G106 V107 V109 I141	A69-L102 HydrophobicContact CB-CD2 3.98Å; C81-L102 HydrophobicContact CB-CD1 4.27Å; V83-L102 HydrophobicContact CG2-CD1 3.9Å; V98-L102 HydrophobicContact CG1-CD1 3.61Å; V98-L102 HydrophobicContact CG1-CG 3.92Å; V98-L102 WeakPolarHBondContact O-CB 3.17Å; V98-L102 WeakPolarHBondContact O-CG 3.05Å; V98-L102 PolarHBondContact O-N 3.03Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 PolarHBondContact O-N 3.13Å; L102-N105 CarbonylContact O-C 3.54Å; L102-N105 WeakPolarHBondContact O-CA 3.33Å; L102-N105 PolarHBondContact O-N 3.43Å; L102-G106 PolarHBondContact O-N 3.17Å; L102-V107 HydrophobicContact CB-CB 4.13Å; L102-V107 HydrophobicContact CB-CG1 4.43Å; L102-V107 HydrophobicContact CD2-CG2 4.48Å; L102-V107 WeakPolarHBondContact O-CB 3.46Å; L102-V107 PolarHBondContact O-N 3.32Å; L102-V109 HydrophobicContact CB-CG2 3.7Å; L102-V109 HydrophobicContact CD1-CG2 3.83Å; L102-V109 HydrophobicContact CG-CG2 4.45Å; L102-I141 HydrophobicContact CD1-CD1 4.16Å
103	A	98.9	Very high	98.9	Very high	5 Å²	5	17.9 Å²	17.9	4%	0.041	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-38.9	176.8	0	0	0	0	0	111.7	L99 N105 G106 I191 A196 H201	L99-A103 VanDerWaalsContact O-CB 3.23Å; L99-A103 WeakPolarHBondContact O-CB 3.06Å; L99-A103 PolarHBondContact O-N 3.45Å; A103-N105 PolarHBondContact O-N 3Å; A103-G106 PolarHBondContact O-N 3.31Å; A103-I191 HydrophobicContact CB-CD1 3.87Å; A103-A196 HydrophobicContact CB-CB 3.73Å; A103-H201 HydrophobicContact CB-CB 4.27Å
104	A	98.9	Very high	98.9	Very high	27 Å²	27	24.1 Å²	24.1	22%	0.223	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-22.6	174	0	0	0	0	0	114.1	E100 V101 L102 G106 K189 I191	E100-A104 WeakPolarHBondContact O-CB 3.13Å; E100-A104 PolarHBondContact O-N 3.36Å; V101-A104 PolarHBondContact O-N 2.97Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 PolarHBondContact O-N 3.13Å; A104-G106 VanDerWaalsContact C-N 3.34Å; A104-K189 HydrophobicContact CB-CB 3.92Å; A104-I191 HydrophobicContact CB-CB 4.43Å; A104-I191 HydrophobicContact CB-CG1 4.13Å; A104-I191 HydrophobicContact CB-CG2 3.99Å
105	N	98.9	Very high	98.9	Very high	35 Å²	35	27.8 Å²	27.8	19%	0.187	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3	172.1	-78.9	-81.4	0	0	0	113	Q66 A69 V101 L102 A103 V107 K189	Q66-N105 PolarHBondContact NE2-OD1 2.89Å; Q66-N105 PolarHBondContact OE1-ND2 2.83Å; A69-N105 HydrophobicContact CB-CB 3.87Å; V101-N105 PolarHBondContact O-N 2.89Å; V101-N105 PolarHBondContact O-ND2 3.5Å; L102-N105 CarbonylContact O-C 3.54Å; L102-N105 WeakPolarHBondContact O-CA 3.33Å; L102-N105 PolarHBondContact O-N 3.43Å; A103-N105 PolarHBondContact O-N 3Å; N105-V107 VanDerWaalsContact C-N 3.29Å; N105-V107 HydrophobicContact CB-CG2 4.32Å; N105-K189 WeakPolarHBondContact OD1-CD 3.47Å; N105-K189 WeakPolarHBondContact OD1-CE 3.25Å; N105-K189 PolarHBondContact OD1-NZ 3.41Å
106	G	98.8	Very high	98.9	Very high	43 Å²	43	28 Å²	28	44%	0.443	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	23.4	-178.7	0	0	0	0	0	113.5	L102 A103 A104	L102-G106 PolarHBondContact O-N 3.17Å; A103-G106 PolarHBondContact O-N 3.31Å; A104-G106 VanDerWaalsContact C-N 3.34Å
107	V	98.9	Very high	98.9	Very high	10 Å²	10	28 Å²	28	6%	0.061	16%	0.164	C	C	.	.			trans	-82.5	125.1	174.6	175.8	0	0	0	0	108.4	A69 C81 L102 N105 V109	A69-V107 HydrophobicContact CB-CG2 4.42Å; C81-V107 HydrophobicContact CB-CG1 3.9Å; L102-V107 HydrophobicContact CB-CB 4.13Å; L102-V107 HydrophobicContact CB-CG1 4.43Å; L102-V107 HydrophobicContact CD2-CG2 4.48Å; L102-V107 WeakPolarHBondContact O-CB 3.46Å; L102-V107 PolarHBondContact O-N 3.32Å; N105-V107 VanDerWaalsContact C-N 3.29Å; N105-V107 HydrophobicContact CB-CG2 4.32Å; V107-V109 HydrophobicContact CG1-CG2 4.41Å
108	D	98.9	Very high	98.9	Very high	63 Å²	63	28.1 Å²	28.1	34%	0.337	17%	0.165	S	C	.	.			trans	-69.2	129.6	168.4	-70.2	-26.8	0	0	0	109.5	P80 C81 H201	P80-D108 CarbonylContact C-O 3.52Å; P80-D108 VanDerWaalsContact CA-O 3.24Å; P80-D108 WeakPolarHBondContact CA-O 3.48Å; C81-D108 PolarHBondContact N-O 3.35Å; D108-H201 CarbonylContact C-O 3.57Å; D108-H201 WeakPolarHBondContact CA-O 3.3Å; D108-H201 IonicContact OD1-CE1 2.81Å; D108-H201 IonicContact OD1-CG 3.66Å; D108-H201 IonicContact OD1-ND1 3.91Å; D108-H201 PolarHBondContact OD1-ND1 3.02Å
109	V	99	Very high	98.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.1	-176.2	-175.1	0	0	0	0	109.5	C81 V83 L99 L102 V107 V111 H201 K203	C81-V109 WeakPolarHBondContact O-CA 3.44Å; V83-V109 HydrophobicContact CB-CG1 4.03Å; V83-V109 HydrophobicContact CG2-CG1 3.57Å; L99-V109 HydrophobicContact CD2-CB 4.47Å; L99-V109 HydrophobicContact CD2-CG1 3.71Å; L102-V109 HydrophobicContact CB-CG2 3.7Å; L102-V109 HydrophobicContact CD1-CG2 3.83Å; L102-V109 HydrophobicContact CG-CG2 4.45Å; V107-V109 HydrophobicContact CG1-CG2 4.41Å; V109-V111 HydrophobicContact CG1-CG1 3.82Å; V109-H201 PolarHBondContact N-O 2.98Å; V109-K203 PolarHBondContact O-N 3.17Å
110	I	99	Very high	98.9	Very high	11 Å²	11	27.9 Å²	27.9	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.4	169.3	-62.5	171.3	0	0	0	108.7	P80 C81 Y82 V83 K203 Q205 L207	P80-I110 HydrophobicContact CB-CD1 3.71Å; P80-I110 HydrophobicContact CB-CG1 3.96Å; P80-I110 HydrophobicContact CG-CD1 3.84Å; C81-I110 PolarHBondContact O-N 2.87Å; Y82-I110 WeakPolarHBondContact CA-O 3.29Å; Y82-I110 HydrophobicContact CD1-CB 3.75Å; Y82-I110 HydrophobicContact CD1-CD1 4.39Å; Y82-I110 HydrophobicContact CD1-CG2 3.72Å; Y82-I110 HydrophobicContact CE1-CB 3.86Å; Y82-I110 HydrophobicContact CE1-CD1 3.7Å; Y82-I110 HydrophobicContact CE1-CG1 4.38Å; Y82-I110 HydrophobicContact CE1-CG2 3.64Å; Y82-I110 HydrophobicContact CE2-CD1 4.5Å; Y82-I110 HydrophobicContact CG-CB 4.47Å; V83-I110 PolarHBondContact N-O 2.77Å; I110-K203 WeakPolarHBondContact CA-O 3.41Å; I110-Q205 HydrophobicContact CG2-CB 4.18Å; I110-Q205 HydrophobicContact CG2-CG 4.1Å; I110-L207 HydrophobicContact CG2-CD2 4.26Å
111	V	98.9	Very high	98.8	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.024	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	157.4	179.2	-55.3	0	0	0	0	110.4	V83 F95 L99 V109 E113 V202 K203 E204 Q205	V83-V111 HydrophobicContact CB-CG1 4.38Å; F95-V111 HydrophobicContact CE2-CB 4.19Å; F95-V111 HydrophobicContact CE2-CG1 3.7Å; F95-V111 HydrophobicContact CZ-CB 3.83Å; F95-V111 HydrophobicContact CZ-CG1 3.57Å; F95-V111 HydrophobicContact CZ-CG2 4.37Å; L99-V111 HydrophobicContact CD2-CG1 3.91Å; V109-V111 HydrophobicContact CG1-CG1 3.82Å; V111-E113 PolarHBondContact O-N 3.15Å; V111-V202 HydrophobicContact CG1-CG1 4.37Å; V111-V202 HydrophobicContact CG2-CG1 4.2Å; V111-K203 PolarHBondContact N-O 3.44Å; V111-E204 HydrophobicContact CG2-CB 4.48Å; V111-E204 HydrophobicContact CG2-CG 3.79Å; V111-Q205 PolarHBondContact O-N 3.4Å
112	Q	98.9	Very high	98.8	Very high	18 Å²	18	27.3 Å²	27.3	8%	0.084	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.5	168.5	178.3	62.7	38.1	0	0	109.5	Q205 D206 L207	Q112-Q205 WeakPolarHBondContact CA-O 3.49Å; Q112-D206 PolarHBondContact NE2-OD1 3.25Å; Q112-L207 VanDerWaalsContact OE1-CB 3.31Å
113	E	98.6	Very high	98.8	Very high	73 Å²	73	27.3 Å²	27.3	34%	0.341	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-60.1	159.9	175.9	61.4	172.7	-137.3	0	0	113.3	V111 N115 G116 E204 Q205 D206	V111-E113 PolarHBondContact O-N 3.15Å; E113-N115 PolarHBondContact O-N 3.4Å; E113-G116 PolarHBondContact O-N 3.49Å; E113-E204 HydrophobicContact CB-CB 4.04Å; E113-Q205 PolarHBondContact N-O 3.23Å; E113-D206 HydrophobicContact CG-CB 4.48Å
114	N	98.4	Very high	98.9	Very high	133 Å²	133	27.1 Å²	27.1	71%	0.711	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	57.4	30.9	176.3	-55.9	-58.7	0	0	0	114.1	G116	N114-G116 PolarHBondContact O-N 3.16Å
115	N	98.6	Very high	98.9	Very high	77 Å²	77	26.2 Å²	26.2	41%	0.412	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	53.6	30.9	-174.4	-161.9	51.6	0	0	0	113.5	K85 E92 E113	K85-N115 WeakPolarHBondContact CE-OD1 3.36Å; K85-N115 PolarHBondContact NZ-ND2 2.95Å; K85-N115 PolarHBondContact NZ-O 3.03Å; E92-N115 PolarHBondContact OE2-ND2 3.05Å; E113-N115 PolarHBondContact O-N 3.4Å
116	G	98.7	Very high	98.9	Very high	21 Å²	21	25.2 Å²	25.2	22%	0.216	15%	0.148	C	C	.	.			trans	-65	177.1	-179.2	0	0	0	0	0	113.8	K85 E113 N114	K85-G116 PolarHBondContact NZ-O 2.57Å; E113-G116 PolarHBondContact O-N 3.49Å; N114-G116 PolarHBondContact O-N 3.16Å
117	F	98.9	Very high	98.9	Very high	47 Å²	47	23.2 Å²	23.2	21%	0.206	13%	0.127	C	C	.	.			trans	-104.7	151	179.6	-49.1	-70.3	0	0	0	110.8	K85 D86 T87 S239 V262	K85-F117 HydrophobicContact CG-CD1 4.46Å; K85-F117 WeakPolarHBondContact O-CA 3.13Å; D86-F117 VanDerWaalsContact O-CD1 3.26Å; D86-F117 WeakPolarHBondContact O-CD1 3.36Å; T87-F117 HydrophobicContact CG2-CB 4.46Å; T87-F117 HydrophobicContact CG2-CD1 3.73Å; T87-F117 HydrophobicContact CG2-CD2 3.74Å; T87-F117 HydrophobicContact CG2-CE1 3.8Å; T87-F117 HydrophobicContact CG2-CE2 3.81Å; T87-F117 HydrophobicContact CG2-CG 3.7Å; T87-F117 HydrophobicContact CG2-CZ 3.84Å; F117-S239 WeakPolarHBondContact CB-O 3.31Å; F117-V262 HydrophobicContact CE2-CG1 3.96Å; F117-V262 HydrophobicContact CZ-CG1 4.07Å
118	T	99	Very high	98.9	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	13%	0.128	C	C	.	.			trans	-135.4	115.7	-176.1	-45.9	0	0	0	0	110.4	K85 A122 V123 L207	K85-T118 PolarHBondContact O-N 2.82Å; T118-A122 HydrophobicContact CG2-CB 3.85Å; T118-V123 HydrophobicContact CG2-CG2 3.72Å; T118-L207 HydrophobicContact CG2-CD1 3.94Å
119	P	98.9	Very high	98.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.			trans	-50.3	146.8	169.6	-32.6	39.5	0	0	0	113.6	P121 A122 V123 S239 Y243 Y307 I412	P119-P121 VanDerWaalsContact C-N 3.35Å; P119-P121 HydrophobicContact CB-CG 3.88Å; P119-A122 HydrophobicContact CB-CB 3.99Å; P119-A122 HydrophobicContact CG-CB 4.34Å; P119-A122 WeakPolarHBondContact O-CB 3.47Å; P119-A122 PolarHBondContact O-N 3.36Å; P119-V123 PolarHBondContact O-N 3.45Å; P119-S239 WeakPolarHBondContact CA-OG 3.4Å; P119-Y243 VanDerWaalsContact CD-CZ 3.5Å; P119-Y243 HydrophobicContact CG-CD1 4.44Å; P119-Y243 HydrophobicContact CG-CD2 3.97Å; P119-Y243 HydrophobicContact CG-CE1 4.35Å; P119-Y243 HydrophobicContact CG-CE2 3.87Å; P119-Y243 HydrophobicContact CG-CG 4.28Å; P119-Y307 HydrophobicContact CG-CG 4.3Å; P119-I412 HydrophobicContact CG-CD1 4.36Å
120	T	98.9	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-46.8	-52.1	166.5	-81.3	0	0	0	0	112.3	A122 V123 S124 K156 D306 D308 D408	T120-A122 VanDerWaalsContact C-N 3.27Å; T120-A122 PolarHBondContact O-N 3.2Å; T120-V123 PolarHBondContact O-N 3.43Å; T120-S124 PolarHBondContact O-N 3.39Å; T120-S124 VanDerWaalsContact O-N 3.09Å; T120-K156 VanDerWaalsContact OG1-CE 3.3Å; T120-K156 WeakPolarHBondContact OG1-CE 3.27Å; T120-K156 PolarHBondContact OG1-NZ 2.92Å; T120-K156 VanDerWaalsContact OG1-NZ 3.14Å; T120-D306 WeakPolarHBondContact CB-O 3.21Å; T120-D306 PolarHBondContact N-O 3.34Å; T120-D308 HydrophobicContact CG2-CB 3.94Å; T120-D408 HydrophobicContact CG2-CB 3.75Å; T120-D408 WeakPolarHBondContact CG2-OD2 3.38Å
121	P	98.9	Very high	98.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67	-25.8	-180	24.9	-36.7	0	0	0	114	P119 S124 N125 F211 Y307 D410	P119-P121 VanDerWaalsContact C-N 3.35Å; P119-P121 HydrophobicContact CB-CG 3.88Å; P121-S124 PolarHBondContact O-N 3.24Å; P121-N125 VanDerWaalsContact O-CB 3.26Å; P121-N125 WeakPolarHBondContact O-CB 3.28Å; P121-N125 PolarHBondContact O-N 3.41Å; P121-F211 HydrophobicContact CB-CE2 4.46Å; P121-Y307 WeakPolarHBondContact CG-O 3.48Å; P121-D410 HydrophobicContact CB-CB 3.51Å; P121-D410 VanDerWaalsContact CB-OD2 3.27Å; P121-D410 WeakPolarHBondContact CB-OD2 3.22Å; P121-D410 HydrophobicContact CG-CB 4.11Å
122	A	98.9	Very high	98.8	Very high	4 Å²	4	33 Å²	33	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-69.7	-37.7	176.2	0	0	0	0	0	111.4	T118 P119 T120 A126 F211 Y243	T118-A122 HydrophobicContact CG2-CB 3.85Å; P119-A122 HydrophobicContact CB-CB 3.99Å; P119-A122 HydrophobicContact CG-CB 4.34Å; P119-A122 WeakPolarHBondContact O-CB 3.47Å; P119-A122 PolarHBondContact O-N 3.36Å; T120-A122 VanDerWaalsContact C-N 3.27Å; T120-A122 PolarHBondContact O-N 3.2Å; A122-A126 VanDerWaalsContact O-CB 3.31Å; A122-A126 WeakPolarHBondContact O-CB 3.3Å; A122-A126 PolarHBondContact O-N 3.29Å; A122-F211 HydrophobicContact CB-CD2 3.94Å; A122-F211 HydrophobicContact CB-CE2 4.23Å; A122-F211 HydrophobicContact CB-CG 4.48Å; A122-Y243 HydrophobicContact CB-CE1 3.77Å; A122-Y243 WeakPolarHBondContact CB-OH 3.41Å
123	V	99	Very high	98.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-46.3	169.9	177.5	0	0	0	0	110.7	T118 P119 T120 N125 A126 I127 V142	T118-V123 HydrophobicContact CG2-CG2 3.72Å; P119-V123 PolarHBondContact O-N 3.45Å; T120-V123 PolarHBondContact O-N 3.43Å; V123-N125 PolarHBondContact O-N 3.15Å; V123-A126 PolarHBondContact O-N 2.98Å; V123-I127 HydrophobicContact CG1-CD1 3.95Å; V123-I127 WeakPolarHBondContact O-CD1 3.36Å; V123-I127 VanDerWaalsContact O-CG1 3.28Å; V123-I127 WeakPolarHBondContact O-CG1 3.46Å; V123-I127 PolarHBondContact O-N 3.16Å; V123-V142 HydrophobicContact CB-CG2 4.02Å; V123-V142 HydrophobicContact CG1-CG2 4.08Å; V123-V142 HydrophobicContact CG2-CG2 4.1Å
124	S	98.9	Very high	98.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-48.4	177.3	-170.6	0	0	0	0	112.1	T120 P121 I127 L128 G162 S406 T407 D408	T120-S124 PolarHBondContact O-N 3.39Å; T120-S124 VanDerWaalsContact O-N 3.09Å; P121-S124 PolarHBondContact O-N 3.24Å; S124-I127 PolarHBondContact O-N 2.97Å; S124-L128 WeakPolarHBondContact O-CG 3.31Å; S124-L128 PolarHBondContact O-N 3.16Å; S124-L128 VanDerWaalsContact O-N 3.08Å; S124-G162 VanDerWaalsContact CB-O 3.25Å; S124-G162 WeakPolarHBondContact CB-O 3.2Å; S124-G162 PolarHBondContact OG-O 2.85Å; S124-S406 VanDerWaalsContact CB-OG 3.28Å; S124-S406 WeakPolarHBondContact CB-OG 3.27Å; S124-S406 PolarHBondContact OG-OG 3.19Å; S124-T407 PolarHBondContact OG-N 3.24Å; S124-T407 PolarHBondContact OG-OG1 3.06Å; S124-D408 PolarHBondContact OG-N 3.42Å
125	N	98.9	Very high	98.6	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-44.8	178.3	-174.2	-92.2	0	0	0	112	P121 V123 I127 L128 V129 F211 R399 W405	P121-N125 VanDerWaalsContact O-CB 3.26Å; P121-N125 WeakPolarHBondContact O-CB 3.28Å; P121-N125 PolarHBondContact O-N 3.41Å; V123-N125 PolarHBondContact O-N 3.15Å; N125-I127 VanDerWaalsContact C-N 3.33Å; N125-I127 PolarHBondContact O-N 2.94Å; N125-L128 PolarHBondContact O-N 3.19Å; N125-V129 WeakPolarHBondContact O-CB 3.25Å; N125-V129 VanDerWaalsContact O-CG2 3.28Å; N125-V129 WeakPolarHBondContact O-CG2 3.48Å; N125-V129 PolarHBondContact O-N 2.66Å; N125-F211 HydrophobicContact CB-CD2 3.97Å; N125-F211 HydrophobicContact CB-CE2 4.17Å; N125-R399 PolarHBondContact ND2-NH2 3.28Å; N125-W405 WeakPolarHBondContact CA-O 3.41Å; N125-W405 VanDerWaalsContact ND2-CD2 3.29Å; N125-W405 PolarHBondContact ND2-O 3.17Å
126	A	98.9	Very high	98.6	Very high	14 Å²	14	35.4 Å²	35.4	12%	0.116	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-40.8	178.6	0	0	0	0	0	112.4	Y82 A122 V123 H130	Y82-A126 HydrophobicContact CD1-CB 3.85Å; Y82-A126 HydrophobicContact CD2-CB 4.33Å; Y82-A126 HydrophobicContact CE1-CB 3.76Å; Y82-A126 HydrophobicContact CE2-CB 4.24Å; Y82-A126 HydrophobicContact CG-CB 4.14Å; A122-A126 VanDerWaalsContact O-CB 3.31Å; A122-A126 WeakPolarHBondContact O-CB 3.3Å; A122-A126 PolarHBondContact O-N 3.29Å; V123-A126 PolarHBondContact O-N 2.98Å; A126-H130 VanDerWaalsContact O-CB 3.23Å; A126-H130 WeakPolarHBondContact O-CB 3.44Å; A126-H130 PolarHBondContact O-N 3.05Å
127	I	98.9	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-51.1	173.9	-66.8	163	0	0	0	110.4	Y82 V123 S124 N125 H130 N131 N158 P160	Y82-I127 HydrophobicContact CD2-CG1 4.01Å; V123-I127 HydrophobicContact CG1-CD1 3.95Å; V123-I127 WeakPolarHBondContact O-CD1 3.36Å; V123-I127 VanDerWaalsContact O-CG1 3.28Å; V123-I127 WeakPolarHBondContact O-CG1 3.46Å; V123-I127 PolarHBondContact O-N 3.16Å; S124-I127 PolarHBondContact O-N 2.97Å; N125-I127 VanDerWaalsContact C-N 3.33Å; N125-I127 PolarHBondContact O-N 2.94Å; I127-H130 PolarHBondContact O-N 3.41Å; I127-N131 WeakPolarHBondContact CG2-ND2 3.29Å; I127-N131 WeakPolarHBondContact O-CB 3.43Å; I127-N131 VanDerWaalsContact O-CG 3.24Å; I127-N131 PolarHBondContact O-N 3.21Å; I127-N131 PolarHBondContact O-ND2 3.32Å; I127-N158 HydrophobicContact CD1-CB 3.99Å; I127-P160 WeakPolarHBondContact CG2-O 3.4Å
128	L	98.9	Very high	98.6	Very high	16 Å²	16	35.8 Å²	35.8	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-47.1	-178.2	-70.3	169.6	0	0	0	112	S124 N125 H130 N131 K132 N161 F381 P404 W405 T407	S124-L128 WeakPolarHBondContact O-CG 3.31Å; S124-L128 PolarHBondContact O-N 3.16Å; S124-L128 VanDerWaalsContact O-N 3.08Å; N125-L128 PolarHBondContact O-N 3.19Å; L128-H130 VanDerWaalsContact C-N 3.3Å; L128-H130 PolarHBondContact O-N 3.22Å; L128-N131 PolarHBondContact O-N 3Å; L128-K132 WeakPolarHBondContact O-CB 3.5Å; L128-K132 PolarHBondContact O-N 2.98Å; L128-N161 WeakPolarHBondContact CD2-O 3.45Å; L128-F381 HydrophobicContact CD2-CD2 3.77Å; L128-F381 HydrophobicContact CD2-CE2 3.84Å; L128-P404 HydrophobicContact CD1-CB 4.03Å; L128-P404 HydrophobicContact CD1-CG 4.47Å; L128-P404 HydrophobicContact CD2-CG 4.27Å; L128-W405 WeakPolarHBondContact CD1-O 3.49Å; L128-T407 HydrophobicContact CD1-CG2 4.13Å; L128-T407 HydrophobicContact CD2-CG2 4.32Å
129	V	98.8	Very high	98.6	Very high	64 Å²	64	35.7 Å²	35.7	39%	0.388	21%	0.209	S	C	.	.	H	α-helix	trans	-63	-38.5	178.5	170.9	0	0	0	0	111.1	N125	N125-V129 WeakPolarHBondContact O-CB 3.25Å; N125-V129 VanDerWaalsContact O-CG2 3.28Å; N125-V129 WeakPolarHBondContact O-CG2 3.48Å; N125-V129 PolarHBondContact O-N 2.66Å
130	H	98.8	Very high	98.6	Very high	37 Å²	37	35.7 Å²	35.7	17%	0.171	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-52.3	173.8	-176.2	-78.3	0	0	0	111.3	Y82 A126 I127 L128 K132 K133 P136 A138	Y82-H130 HydrophobicContact CE2-CB 4.11Å; A126-H130 VanDerWaalsContact O-CB 3.23Å; A126-H130 WeakPolarHBondContact O-CB 3.44Å; A126-H130 PolarHBondContact O-N 3.05Å; I127-H130 PolarHBondContact O-N 3.41Å; L128-H130 VanDerWaalsContact C-N 3.3Å; L128-H130 PolarHBondContact O-N 3.22Å; H130-K132 VanDerWaalsContact C-N 3.31Å; H130-K132 PolarHBondContact O-N 3.03Å; H130-K133 VanDerWaalsContact O-CB 3.28Å; H130-K133 WeakPolarHBondContact O-CB 3.35Å; H130-K133 WeakPolarHBondContact O-CG 3.24Å; H130-K133 PolarHBondContact O-N 3.25Å; H130-K133 VanDerWaalsContact O-N 3.09Å; H130-P136 PolarHBondContact CE1-O 2.94Å; H130-A138 HydrophobicContact CB-CB 4.06Å; H130-A138 WeakPolarHBondContact ND1-CB 3.45Å
131	N	98.8	Very high	98.7	Very high	25 Å²	25	35.7 Å²	35.7	13%	0.134	21%	0.209	C	C	.	.	H	α-helix	trans	-71.5	-25.6	-171.1	-68.5	-12.4	0	0	0	113.1	I127 L128 K133 G134 L137 A138 P160	I127-N131 WeakPolarHBondContact CG2-ND2 3.29Å; I127-N131 WeakPolarHBondContact O-CB 3.43Å; I127-N131 VanDerWaalsContact O-CG 3.24Å; I127-N131 PolarHBondContact O-N 3.21Å; I127-N131 PolarHBondContact O-ND2 3.32Å; L128-N131 PolarHBondContact O-N 3Å; N131-K133 PolarHBondContact O-N 3.25Å; N131-K133 VanDerWaalsContact O-N 3.1Å; N131-G134 PolarHBondContact O-N 3.17Å; N131-G134 VanDerWaalsContact O-N 3.11Å; N131-L137 HydrophobicContact CB-CD2 4.31Å; N131-A138 PolarHBondContact ND2-O 2.55Å; N131-A138 PolarHBondContact OD1-N 2.87Å; N131-P160 PolarHBondContact ND2-O 3.31Å
132	K	98.3	Very high	98.7	Very high	152 Å²	152	35.7 Å²	35.7	66%	0.661	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.5	171.1	-166.8	170.5	-176.9	174.4	0	113.2	L128 H130 G134	L128-K132 WeakPolarHBondContact O-CB 3.5Å; L128-K132 PolarHBondContact O-N 2.98Å; H130-K132 VanDerWaalsContact C-N 3.31Å; H130-K132 PolarHBondContact O-N 3.03Å; K132-G134 VanDerWaalsContact C-N 3.29Å; K132-G134 PolarHBondContact O-N 3.06Å
133	K	98	Very high	98.7	Very high	162 Å²	162	35.5 Å²	35.5	70%	0.704	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.4	177.5	-58.1	173.5	-174.9	175.1	0	113.8	H130 N131	H130-K133 VanDerWaalsContact O-CB 3.28Å; H130-K133 WeakPolarHBondContact O-CB 3.35Å; H130-K133 WeakPolarHBondContact O-CG 3.24Å; H130-K133 PolarHBondContact O-N 3.25Å; H130-K133 VanDerWaalsContact O-N 3.09Å; N131-K133 PolarHBondContact O-N 3.25Å; N131-K133 VanDerWaalsContact O-N 3.1Å
134	G	96.1	Very high	98.6	Very high	71 Å²	71	35.6 Å²	35.6	73%	0.732	21%	0.208	S	C	*	.			trans	75.6	19	174.2	0	0	0	0	0	116	N131 K132	N131-G134 PolarHBondContact O-N 3.17Å; N131-G134 VanDerWaalsContact O-N 3.11Å; K132-G134 VanDerWaalsContact C-N 3.29Å; K132-G134 PolarHBondContact O-N 3.06Å
135	G	98.2	Very high	98.6	Very high	41 Å²	41	35.6 Å²	35.6	42%	0.423	21%	0.208	S	C	.	.	S	Bend	trans	-95.7	-159.7	176	0	0	0	0	0	113.7	L137	G135-L137 PolarHBondContact O-N 3.19Å
136	P	98.6	Very high	98.5	Very high	78 Å²	78	35.4 Å²	35.4	51%	0.506	21%	0.208	S	C	.	.	S	Bend	trans	-51.4	133.9	169.7	-27	36.4	0	0	0	111.6	H130 A138	H130-P136 PolarHBondContact CE1-O 2.94Å; P136-A138 PolarHBondContact O-N 2.81Å
137	L	98.9	Very high	98.4	Very high	76 Å²	76	36.8 Å²	36.8	40%	0.398	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-70.6	130.7	-175.5	-65.9	176.2	0	0	0	111.2	I77 G79 N131 G135 P160	I77-L137 HydrophobicContact CG2-CB 4.29Å; I77-L137 WeakPolarHBondContact CG2-O 3.35Å; G79-L137 WeakPolarHBondContact CA-O 3.48Å; G79-L137 PolarHBondContact N-O 2.6Å; N131-L137 HydrophobicContact CB-CD2 4.31Å; G135-L137 PolarHBondContact O-N 3.19Å; L137-P160 HydrophobicContact CB-CB 4.12Å; L137-P160 HydrophobicContact CB-CG 4.12Å; L137-P160 HydrophobicContact CD1-CB 4.14Å; L137-P160 HydrophobicContact CD1-CG 4.23Å; L137-P160 HydrophobicContact CD2-CB 4.43Å; L137-P160 HydrophobicContact CG-CB 4.46Å
138	A	98.9	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-88	155.7	165.8	0	0	0	0	0	111	P80 Y82 H130 N131 P136 P160	P80-A138 HydrophobicContact CG-CB 3.95Å; P80-A138 WeakPolarHBondContact O-CA 3.32Å; P80-A138 VanDerWaalsContact O-CB 3.3Å; P80-A138 WeakPolarHBondContact O-CB 3.35Å; Y82-A138 HydrophobicContact CD2-CB 4.19Å; Y82-A138 HydrophobicContact CE2-CB 3.84Å; H130-A138 HydrophobicContact CB-CB 4.06Å; H130-A138 WeakPolarHBondContact ND1-CB 3.45Å; N131-A138 PolarHBondContact ND2-O 2.55Å; N131-A138 PolarHBondContact OD1-N 2.87Å; P136-A138 PolarHBondContact O-N 2.81Å; A138-P160 VanDerWaalsContact O-CA 3.28Å; A138-P160 WeakPolarHBondContact O-CA 3.18Å; A138-P160 WeakPolarHBondContact O-CB 3.44Å
139	D	98.9	Very high	98.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	-172.4	172.3	58.9	0.9	0	0	0	108.8	R72 I77 P80 C81 Y82 Y157	R72-D139 WeakPolarHBondContact CB-OD2 3.4Å; R72-D139 IonicContact CZ-OD1 3.8Å; R72-D139 IonicContact CZ-OD2 2.74Å; R72-D139 IonicContact NE-OD1 3.48Å; R72-D139 PolarHBondContact NE-OD1 2.77Å; R72-D139 IonicContact NE-OD2 3.65Å; R72-D139 PolarHBondContact NE-OD2 2.98Å; R72-D139 IonicContact NH2-OD1 3.52Å; R72-D139 PolarHBondContact NH2-OD1 3.07Å; R72-D139 IonicContact NH2-OD2 3.38Å; R72-D139 PolarHBondContact NH2-OD2 2.81Å; I77-D139 HydrophobicContact CG2-CB 4.24Å; P80-D139 PolarHBondContact O-N 3.45Å; C81-D139 WeakPolarHBondContact CA-O 3.2Å; C81-D139 VanDerWaalsContact CA-OD1 3.28Å; C81-D139 WeakPolarHBondContact CA-OD1 3.28Å; C81-D139 WeakPolarHBondContact CB-OD1 3.26Å; C81-D139 PolarHBondContact SG-OD1 2.88Å; Y82-D139 PolarHBondContact N-O 2.92Å; D139-Y157 HydrophobicContact CB-CE2 3.92Å; D139-Y157 WeakPolarHBondContact OD2-CE2 3.32Å; D139-Y157 PolarHBondContact OD2-OH 3.09Å
140	G	98.9	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	163.2	176.3	0	0	0	0	0	115.9	Y82 Y157 N158	Y82-G140 CarbonylContact O-C 3.14Å; Y82-G140 WeakPolarHBondContact O-CA 3.32Å; G140-Y157 WeakPolarHBondContact O-CD2 3.35Å; G140-N158 PolarHBondContact N-O 2.94Å; G140-N158 PolarHBondContact O-N 3.5Å
141	I	99	Very high	98.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.9	174.3	-66.1	174.8	0	0	0	107.4	I68 Y82 V83 G84 V98 L102 I143 I155 K156 Y157	I68-I141 HydrophobicContact CD1-CD1 3.89Å; I68-I141 HydrophobicContact CD1-CG1 4.2Å; I68-I141 HydrophobicContact CG2-CD1 4.17Å; Y82-I141 PolarHBondContact O-N 3.42Å; V83-I141 WeakPolarHBondContact CA-O 3.12Å; V83-I141 HydrophobicContact CG1-CB 4.45Å; V83-I141 HydrophobicContact CG2-CB 4.3Å; G84-I141 PolarHBondContact N-O 2.99Å; V98-I141 HydrophobicContact CG1-CD1 3.93Å; L102-I141 HydrophobicContact CD1-CD1 4.16Å; I141-I143 HydrophobicContact CG2-CG1 3.97Å; I141-I155 HydrophobicContact CG2-CD1 3.9Å; I141-I155 HydrophobicContact CG2-CG1 3.7Å; I141-K156 WeakPolarHBondContact CA-O 3.5Å; I141-Y157 HydrophobicContact CG1-CD2 4.13Å
142	V	98.9	Very high	98.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.8	171.6	-163.1	0	0	0	0	108.9	G84 V123 T144 I155 K156	G84-V142 WeakPolarHBondContact O-CA 3.05Å; V123-V142 HydrophobicContact CB-CG2 4.02Å; V123-V142 HydrophobicContact CG1-CG2 4.08Å; V123-V142 HydrophobicContact CG2-CG2 4.1Å; V142-T144 HydrophobicContact CB-CG2 4.38Å; V142-T144 HydrophobicContact CG1-CG2 3.66Å; V142-T144 PolarHBondContact O-N 2.65Å; V142-I155 WeakPolarHBondContact O-CA 3.29Å; V142-K156 HydrophobicContact CB-CG 3.92Å; V142-K156 HydrophobicContact CG2-CG 4.45Å; V142-K156 PolarHBondContact N-O 3.31Å; V142-K156 PolarHBondContact O-N 2.9Å
143	I	98.9	Very high	98.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	92.1	-178.2	-52.3	178.8	0	0	0	107.8	V83 G84 K85 D86 S91 A94 F95 V98 I141 G154 I155	V83-I143 HydrophobicContact CG1-CD1 4Å; G84-I143 PolarHBondContact O-N 2.83Å; K85-I143 WeakPolarHBondContact CA-O 3.49Å; K85-I143 HydrophobicContact CB-CB 4.11Å; D86-I143 PolarHBondContact N-O 2.8Å; S91-I143 PolarHBondContact OG-O 3Å; A94-I143 HydrophobicContact CB-CG2 3.81Å; F95-I143 HydrophobicContact CB-CD1 3.78Å; F95-I143 HydrophobicContact CD2-CD1 4.03Å; F95-I143 HydrophobicContact CG-CD1 4.42Å; V98-I143 HydrophobicContact CB-CD1 4.49Å; V98-I143 HydrophobicContact CG2-CD1 4.1Å; I141-I143 HydrophobicContact CG2-CG1 3.97Å; I143-G154 CarbonylContact C-O 3.5Å; I143-G154 VanDerWaalsContact CA-O 3.31Å; I143-G154 WeakPolarHBondContact CA-O 3.47Å; I143-G154 WeakPolarHBondContact CG2-O 3.49Å; I143-I155 HydrophobicContact CG1-CG1 4.46Å
144	T	98.8	Very high	98.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	14%	0.142	C	C	.	.			trans	-161.4	139.3	-177.9	179.5	0	0	0	0	111.1	D86 V142 S146 G154 D306	D86-T144 VanDerWaalsContact CG-OG1 3.27Å; D86-T144 VanDerWaalsContact OD2-CB 3.32Å; D86-T144 WeakPolarHBondContact OD2-CB 3.26Å; D86-T144 PolarHBondContact OD2-OG1 3.36Å; V142-T144 HydrophobicContact CB-CG2 4.38Å; V142-T144 HydrophobicContact CG1-CG2 3.66Å; V142-T144 PolarHBondContact O-N 2.65Å; T144-S146 VanDerWaalsContact C-N 3.28Å; T144-S146 WeakPolarHBondContact OG1-CA 3.3Å; T144-S146 PolarHBondContact OG1-N 3.06Å; T144-G154 PolarHBondContact N-O 2.78Å; T144-G154 CarbonylContact O-C 3.56Å; T144-G154 WeakPolarHBondContact O-CA 3.39Å; T144-D306 HydrophobicContact CG2-CB 3.55Å; T144-D306 WeakPolarHBondContact OG1-CB 3.31Å
145	P	98.2	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.107	C	C	.	.			trans	-92	17	164	40.3	-36	0	0	0	112.5	R48 D86 H88 N148 D152	R48-P145 HydrophobicContact CG-CB 4.39Å; R48-P145 VanDerWaalsContact CZ-O 3.28Å; R48-P145 PolarHBondContact NH1-O 2.84Å; D86-P145 WeakPolarHBondContact OD2-CD 3.45Å; H88-P145 HydrophobicContact CB-CG 4.39Å; P145-N148 HydrophobicContact CB-CB 3.84Å; P145-N148 HydrophobicContact CG-CB 4.18Å; P145-N148 WeakPolarHBondContact O-CB 3.48Å; P145-N148 VanDerWaalsContact O-CG 3.29Å; P145-N148 PolarHBondContact O-N 2.77Å; P145-N148 PolarHBondContact O-OD1 3Å; P145-D152 HydrophobicContact CB-CB 4.17Å; P145-D152 HydrophobicContact CG-CB 4.25Å
146	S	97.2	Very high	98.5	Very high	5 Å²	5	16.3 Å²	16.3	4%	0.035	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-131.1	-173.9	-178.9	0	0	0	0	111.3	H88 T144 N148 D304 P305 D306	H88-S146 PolarHBondContact CE1-O 2.87Å; T144-S146 VanDerWaalsContact C-N 3.28Å; T144-S146 WeakPolarHBondContact OG1-CA 3.3Å; T144-S146 PolarHBondContact OG1-N 3.06Å; S146-N148 PolarHBondContact O-N 3.26Å; S146-D304 PolarHBondContact OG-OD2 3.36Å; S146-D304 VanDerWaalsContact OG-OD2 3.04Å; S146-P305 WeakPolarHBondContact O-CG 3.24Å; S146-D306 WeakPolarHBondContact CA-OD1 3.44Å; S146-D306 WeakPolarHBondContact CB-OD1 3.35Å; S146-D306 VanDerWaalsContact CB-OD2 3.28Å; S146-D306 WeakPolarHBondContact CB-OD2 3.37Å; S146-D306 PolarHBondContact OG-OD1 2.7Å; S146-D306 PolarHBondContact OG-OD2 2.85Å
147	H	97.1	Very high	98.5	Very high	44 Å²	44	13 Å²	13	20%	0.204	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	14.3	-179.5	64.6	79.7	0	0	0	114.5	R278 M279 D304 R309	H147-R278 WeakPolarHBondContact O-CG 3.13Å; H147-M279 WeakPolarHBondContact CB-O 3.44Å; H147-D304 HydrophobicContact CB-CB 3.99Å; H147-D304 IonicContact CD2-OD2 2.87Å; H147-R309 PolarHBondContact CD2-NH2 3.34Å
148	N	96.3	Very high	98.5	Very high	33 Å²	33	9.4 Å²	9.4	18%	0.176	5%	0.047	C	C	.	.			trans	-60.2	164.6	177.6	-81.7	39	0	0	0	111.9	R48 H88 P145 S146 D152 M279	R48-N148 PolarHBondContact NH1-OD1 2.76Å; H88-N148 PolarHBondContact NE2-O 3Å; H88-N148 VanDerWaalsContact NE2-O 3.09Å; P145-N148 HydrophobicContact CB-CB 3.84Å; P145-N148 HydrophobicContact CG-CB 4.18Å; P145-N148 WeakPolarHBondContact O-CB 3.48Å; P145-N148 VanDerWaalsContact O-CG 3.29Å; P145-N148 PolarHBondContact O-N 2.77Å; P145-N148 PolarHBondContact O-OD1 3Å; S146-N148 PolarHBondContact O-N 3.26Å; N148-D152 HydrophobicContact CB-CB 3.82Å; N148-D152 PolarHBondContact ND2-OD2 3.27Å; N148-M279 WeakPolarHBondContact O-CE 3.32Å
149	P	98.3	Very high	98.5	Very high	18 Å²	18	10.3 Å²	10.3	12%	0.117	5%	0.053	C	C	.	.			trans	-62	160.1	178.8	-25.9	37.6	0	0	0	114.4	H88 E151 D152 I277	H88-P149 PolarHBondContact NE2-O 3.29Å; P149-E151 VanDerWaalsContact CB-OE2 3.24Å; P149-E151 WeakPolarHBondContact CB-OE2 3.48Å; P149-E151 PolarHBondContact O-N 2.76Å; P149-D152 WeakPolarHBondContact O-CB 3.39Å; P149-D152 PolarHBondContact O-N 2.84Å; P149-I277 WeakPolarHBondContact CA-O 3.43Å
150	P	98.8	Very high	98.5	Very high	4 Å²	4	11.4 Å²	11.4	3%	0.026	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.4	-174.3	-29.2	36.1	0	0	0	115.9	I17 D152 F266 I277	I17-P150 HydrophobicContact CD1-CB 3.79Å; I17-P150 HydrophobicContact CG1-CB 4.06Å; I17-P150 HydrophobicContact CG2-CB 4.3Å; P150-D152 VanDerWaalsContact C-N 3.27Å; P150-D152 PolarHBondContact O-N 3.21Å; P150-F266 HydrophobicContact CB-CD2 3.96Å; P150-F266 HydrophobicContact CG-CB 4.17Å; P150-F266 HydrophobicContact CG-CD2 3.8Å; P150-F266 HydrophobicContact CG-CG 4.38Å; P150-I277 WeakPolarHBondContact CD-O 3.15Å; P150-I277 HydrophobicContact CG-CB 4.05Å; P150-I277 HydrophobicContact CG-CG2 3.78Å
151	E	98.7	Very high	98.5	Very high	60 Å²	60	13.2 Å²	13.2	28%	0.28	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.6	-179.8	70.4	-84	-162.2	0	0	115.2	I17 L22 S50 R53 L90 P149	I17-E151 HydrophobicContact CG2-CB 3.96Å; L22-E151 HydrophobicContact CD1-CB 4.42Å; L22-E151 HydrophobicContact CD2-CB 4.1Å; S50-E151 VanDerWaalsContact CB-O 3.23Å; S50-E151 WeakPolarHBondContact CB-O 3.44Å; S50-E151 PolarHBondContact OG-O 3.32Å; R53-E151 IonicContact NH1-OE1 2.74Å; L90-E151 VanDerWaalsContact CD1-O 3.3Å; L90-E151 WeakPolarHBondContact CD1-O 3.33Å; P149-E151 VanDerWaalsContact CB-OE2 3.24Å; P149-E151 WeakPolarHBondContact CB-OE2 3.48Å; P149-E151 PolarHBondContact O-N 2.76Å
152	D	98.7	Very high	98.4	Very high	12 Å²	12	13.2 Å²	13.2	6%	0.064	7%	0.07	C	C	.	.			trans	-89.8	153	-175.9	-75.9	6.4	0	0	0	112	G49 R53 H88 P145 N148 P149 P150	G49-D152 CarbonylContact O-C 3.52Å; G49-D152 VanDerWaalsContact O-CA 3.28Å; G49-D152 WeakPolarHBondContact O-CA 3.33Å; R53-D152 IonicContact CZ-OD1 3.92Å; R53-D152 IonicContact NH1-OD1 2.8Å; R53-D152 PolarHBondContact NH1-OD1 2.86Å; R53-D152 IonicContact NH2-OD1 3.72Å; R53-D152 PolarHBondContact NH2-OD1 3.43Å; R53-D152 IonicContact NH2-OD2 3.04Å; H88-D152 PolarHBondContact CD2-O 3.37Å; P145-D152 HydrophobicContact CB-CB 4.17Å; P145-D152 HydrophobicContact CG-CB 4.25Å; N148-D152 HydrophobicContact CB-CB 3.82Å; N148-D152 PolarHBondContact ND2-OD2 3.27Å; P149-D152 WeakPolarHBondContact O-CB 3.39Å; P149-D152 PolarHBondContact O-N 2.84Å; P150-D152 VanDerWaalsContact C-N 3.27Å; P150-D152 PolarHBondContact O-N 3.21Å
153	G	98.8	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.3	168	0	0	0	0	0	110	R48 G49 F56	R48-G153 WeakPolarHBondContact CA-O 3.43Å; G49-G153 PolarHBondContact N-O 2.73Å; G49-G153 VanDerWaalsContact N-O 3.09Å; G49-G153 PolarHBondContact O-N 3.09Å; F56-G153 VanDerWaalsContact CD2-C 3.5Å; F56-G153 WeakPolarHBondContact CD2-O 3.36Å; F56-G153 WeakPolarHBondContact CE2-O 3.39Å
154	G	98.7	Very high	98.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.8	177.7	0	0	0	0	0	112.7	H47 F56 I143 T144	H47-G154 CarbonylContact O-C 3.59Å; H47-G154 VanDerWaalsContact O-CA 3.23Å; H47-G154 WeakPolarHBondContact O-CA 3.27Å; F56-G154 VanDerWaalsContact CE2-CA 3.48Å; F56-G154 VanDerWaalsContact CE2-N 3.25Å; I143-G154 CarbonylContact C-O 3.5Å; I143-G154 VanDerWaalsContact CA-O 3.31Å; I143-G154 WeakPolarHBondContact CA-O 3.47Å; I143-G154 WeakPolarHBondContact CG2-O 3.49Å; T144-G154 PolarHBondContact N-O 2.78Å; T144-G154 CarbonylContact O-C 3.56Å; T144-G154 WeakPolarHBondContact O-CA 3.39Å
155	I	98.9	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	125.7	176.4	-177.5	171.1	0	0	0	109.6	F42 G46 H47 F56 I61 I64 V98 I141 V142 I143	F42-I155 HydrophobicContact CE2-CG2 4.46Å; F42-I155 WeakPolarHBondContact CE2-O 3.41Å; G46-I155 CarbonylContact C-O 3.58Å; G46-I155 WeakPolarHBondContact CA-O 3.14Å; H47-I155 HydrophobicContact CB-CG2 4.29Å; H47-I155 PolarHBondContact N-O 3.24Å; H47-I155 PolarHBondContact O-N 3.25Å; F56-I155 HydrophobicContact CE2-CG2 4.22Å; I61-I155 HydrophobicContact CD1-CG2 3.92Å; I61-I155 HydrophobicContact CG2-CD1 4.29Å; I64-I155 HydrophobicContact CD1-CG2 3.87Å; I64-I155 HydrophobicContact CG2-CD1 4.06Å; I64-I155 HydrophobicContact CG2-CG2 4.31Å; V98-I155 HydrophobicContact CG2-CD1 3.7Å; I141-I155 HydrophobicContact CG2-CD1 3.9Å; I141-I155 HydrophobicContact CG2-CG1 3.7Å; V142-I155 WeakPolarHBondContact O-CA 3.29Å; I143-I155 HydrophobicContact CG1-CG1 4.46Å
156	K	98.7	Very high	97.9	Very high	11 Å²	11	16.8 Å²	16.8	5%	0.048	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.5	176.2	67.2	-178	176.2	85.6	0	111.8	T120 I141 V142 D408	T120-K156 VanDerWaalsContact OG1-CE 3.3Å; T120-K156 WeakPolarHBondContact OG1-CE 3.27Å; T120-K156 PolarHBondContact OG1-NZ 2.92Å; T120-K156 VanDerWaalsContact OG1-NZ 3.14Å; I141-K156 WeakPolarHBondContact CA-O 3.5Å; V142-K156 HydrophobicContact CB-CG 3.92Å; V142-K156 HydrophobicContact CG2-CG 4.45Å; V142-K156 PolarHBondContact N-O 3.31Å; V142-K156 PolarHBondContact O-N 2.9Å; K156-D408 IonicContact NZ-OD2 3.58Å; K156-D408 PolarHBondContact NZ-OD2 3.19Å
157	Y	98.8	Very high	97.5	Very high	8 Å²	8	20 Å²	20	3%	0.031	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.7	-178.2	176.3	-117.5	0	0	0	110.7	I68 D139 G140 I141 P159 A165 V169	I68-Y157 HydrophobicContact CD1-CD2 4.46Å; I68-Y157 HydrophobicContact CD1-CG 4.45Å; I68-Y157 HydrophobicContact CG2-CD2 3.75Å; I68-Y157 HydrophobicContact CG2-CE2 3.78Å; I68-Y157 HydrophobicContact CG2-CG 4.37Å; D139-Y157 HydrophobicContact CB-CE2 3.92Å; D139-Y157 WeakPolarHBondContact OD2-CE2 3.32Å; D139-Y157 PolarHBondContact OD2-OH 3.09Å; G140-Y157 WeakPolarHBondContact O-CD2 3.35Å; I141-Y157 HydrophobicContact CG1-CD2 4.13Å; Y157-P159 HydrophobicContact CD1-CG 4.18Å; Y157-P159 HydrophobicContact CE1-CB 4.24Å; Y157-P159 HydrophobicContact CE1-CG 3.84Å; Y157-A165 HydrophobicContact CD1-CB 3.93Å; Y157-A165 VanDerWaalsContact O-CB 3.29Å; Y157-A165 WeakPolarHBondContact O-CB 3.44Å; Y157-A165 PolarHBondContact O-N 3.3Å; Y157-V169 HydrophobicContact CD1-CG1 3.86Å; Y157-V169 HydrophobicContact CE1-CG1 3.88Å
158	N	98.8	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	109.9	176.3	-74.6	50.1	0	0	0	108.9	I127 G140 G162 G163 D408	I127-N158 HydrophobicContact CD1-CB 3.99Å; G140-N158 PolarHBondContact N-O 2.94Å; G140-N158 PolarHBondContact O-N 3.5Å; N158-G162 PolarHBondContact ND2-O 3.36Å; N158-G163 WeakPolarHBondContact CA-O 3.49Å; N158-G163 WeakPolarHBondContact CB-O 3.45Å; N158-G163 PolarHBondContact ND2-O 3.3Å; N158-D408 PolarHBondContact ND2-OD2 3.16Å
159	P	98.6	Very high	97.4	Very high	19 Å²	19	22.6 Å²	22.6	12%	0.123	13%	0.126	C	C	.	.			trans	-67.1	-177.6	178.9	-20	34	0	0	0	113.3	Y157 N161 G162 G163 A165	Y157-P159 HydrophobicContact CD1-CG 4.18Å; Y157-P159 HydrophobicContact CE1-CB 4.24Å; Y157-P159 HydrophobicContact CE1-CG 3.84Å; P159-N161 PolarHBondContact O-N 3.23Å; P159-G162 WeakPolarHBondContact O-CA 3.46Å; P159-G162 PolarHBondContact O-N 2.93Å; P159-G163 WeakPolarHBondContact CD-O 3.38Å; P159-A165 HydrophobicContact CG-CB 3.81Å
160	P	98.8	Very high	97.3	Very high	24 Å²	24	22 Å²	22	16%	0.156	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.4	-174.8	-28	36.7	0	0	0	117.4	I77 I127 N131 L137 A138 G162	I77-P160 HydrophobicContact CD1-CG 3.49Å; I77-P160 VanDerWaalsContact CD1-CG 3.49Å; I77-P160 HydrophobicContact CG1-CG 3.81Å; I77-P160 HydrophobicContact CG2-CG 4.28Å; I127-P160 WeakPolarHBondContact CG2-O 3.4Å; N131-P160 PolarHBondContact ND2-O 3.31Å; L137-P160 HydrophobicContact CB-CB 4.12Å; L137-P160 HydrophobicContact CB-CG 4.12Å; L137-P160 HydrophobicContact CD1-CB 4.14Å; L137-P160 HydrophobicContact CD1-CG 4.23Å; L137-P160 HydrophobicContact CD2-CB 4.43Å; L137-P160 HydrophobicContact CG-CB 4.46Å; A138-P160 VanDerWaalsContact O-CA 3.28Å; A138-P160 WeakPolarHBondContact O-CA 3.18Å; A138-P160 WeakPolarHBondContact O-CB 3.44Å; P160-G162 PolarHBondContact O-N 3.14Å
161	N	98.5	Very high	97.2	Very high	38 Å²	38	26.4 Å²	26.4	20%	0.203	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.8	171.2	66.4	2.8	0	0	0	112.7	L128 P159 G163 V377 F381 T407	L128-N161 WeakPolarHBondContact CD2-O 3.45Å; P159-N161 PolarHBondContact O-N 3.23Å; N161-G163 VanDerWaalsContact C-N 3.3Å; N161-G163 PolarHBondContact O-N 3.37Å; N161-G163 PolarHBondContact OD1-N 2.94Å; N161-V377 VanDerWaalsContact ND2-CG1 3.28Å; N161-V377 WeakPolarHBondContact ND2-CG1 3.41Å; N161-F381 HydrophobicContact CB-CD2 3.76Å; N161-F381 HydrophobicContact CB-CE2 3.96Å; N161-F381 HydrophobicContact CB-CG 4.06Å; N161-F381 HydrophobicContact CB-CZ 4.41Å; N161-F381 WeakPolarHBondContact O-CD2 3.28Å; N161-T407 WeakPolarHBondContact O-CB 3.46Å; N161-T407 PolarHBondContact O-OG1 3.21Å
162	G	98.5	Very high	97.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	82.5	-10.6	175.6	0	0	0	0	0	115.5	S124 N158 P159 P160 T407	S124-G162 VanDerWaalsContact CB-O 3.25Å; S124-G162 WeakPolarHBondContact CB-O 3.2Å; S124-G162 PolarHBondContact OG-O 2.85Å; N158-G162 PolarHBondContact ND2-O 3.36Å; P159-G162 WeakPolarHBondContact O-CA 3.46Å; P159-G162 PolarHBondContact O-N 2.93Å; P160-G162 PolarHBondContact O-N 3.14Å; G162-T407 VanDerWaalsContact CA-OG1 3.26Å; G162-T407 WeakPolarHBondContact CA-OG1 3.36Å; G162-T407 PolarHBondContact O-OG1 3.11Å
163	G	97.6	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-91.7	176	-176.1	0	0	0	0	0	113	N158 P159 N161 T407	N158-G163 WeakPolarHBondContact CA-O 3.49Å; N158-G163 WeakPolarHBondContact CB-O 3.45Å; N158-G163 PolarHBondContact ND2-O 3.3Å; P159-G163 WeakPolarHBondContact CD-O 3.38Å; N161-G163 VanDerWaalsContact C-N 3.3Å; N161-G163 PolarHBondContact O-N 3.37Å; N161-G163 PolarHBondContact OD1-N 2.94Å; G163-T407 WeakPolarHBondContact CA-O 3.42Å; G163-T407 PolarHBondContact N-OG1 3.46Å
164	P	97.1	Very high	97.2	Very high	15 Å²	15	27.8 Å²	27.8	10%	0.097	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-61.6	137.3	173.8	26.4	-35.4	0	0	0	111.1	D166 V377	P164-D166 PolarHBondContact O-N 3.16Å; P164-V377 HydrophobicContact CG-CG2 4.09Å
165	A	96	Very high	97.2	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.017	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-57.7	134.2	176.6	0	0	0	0	0	112.2	Y157 P159 V169 T170	Y157-A165 HydrophobicContact CD1-CB 3.93Å; Y157-A165 VanDerWaalsContact O-CB 3.29Å; Y157-A165 WeakPolarHBondContact O-CB 3.44Å; Y157-A165 PolarHBondContact O-N 3.3Å; P159-A165 HydrophobicContact CG-CB 3.81Å; A165-V169 HydrophobicContact CB-CB 4.19Å; A165-V169 HydrophobicContact CB-CG1 4.16Å; A165-T170 HydrophobicContact CB-CG2 3.64Å; A165-T170 VanDerWaalsContact O-CG2 3.27Å; A165-T170 WeakPolarHBondContact O-CG2 3.34Å
166	D	92.2	Very high	97.2	Very high	60 Å²	60	35.7 Å²	35.7	32%	0.321	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-81.4	168.7	173.6	-169.2	25.2	0	0	0	111.4	P164 N168 V169 T170 K374	P164-D166 PolarHBondContact O-N 3.16Å; D166-N168 PolarHBondContact O-N 2.93Å; D166-N168 VanDerWaalsContact O-N 3.08Å; D166-N168 PolarHBondContact O-OD1 3.3Å; D166-V169 PolarHBondContact O-N 3.03Å; D166-T170 WeakPolarHBondContact O-CG2 3.17Å; D166-T170 PolarHBondContact O-N 3.45Å; D166-K374 WeakPolarHBondContact OD1-CD 3.45Å; D166-K374 WeakPolarHBondContact OD1-CE 3.28Å; D166-K374 IonicContact OD1-NZ 3.79Å; D166-K374 PolarHBondContact OD1-NZ 3.32Å
167	T	90.6	Very high	97.2	Very high	73 Å²	73	35.2 Å²	35.2	45%	0.448	19%	0.185	S	C	.	.	H	α-helix	trans	-57.9	-24.5	-172.5	48.1	0	0	0	0	114.8	V169 T170 K171	T167-V169 VanDerWaalsContact C-N 3.28Å; T167-V169 PolarHBondContact O-N 3.17Å; T167-T170 WeakPolarHBondContact CA-OG1 3.29Å; T167-K171 WeakPolarHBondContact O-CB 3.16Å; T167-K171 PolarHBondContact O-N 3.4Å; T167-K171 VanDerWaalsContact O-N 3.11Å
168	N	93.3	Very high	97.2	Very high	112 Å²	112	36.9 Å²	36.9	60%	0.599	19%	0.194	S	C	*	.	H	α-helix	trans	-63.8	-33.9	173.6	62.1	-25.8	0	0	0	112.4	D166 V172	D166-N168 PolarHBondContact O-N 2.93Å; D166-N168 VanDerWaalsContact O-N 3.08Å; D166-N168 PolarHBondContact O-OD1 3.3Å; N168-V172 WeakPolarHBondContact O-CG2 3.36Å
169	V	96.2	Very high	97.2	Very high	18 Å²	18	39.2 Å²	39.2	11%	0.109	21%	0.213	C	C	.	.	H	α-helix	trans	-90.9	-48.7	176.5	176.1	0	0	0	0	110.3	E71 Y157 A165 D166 T167 K171 V172 V173	E71-V169 HydrophobicContact CG-CG1 4.43Å; Y157-V169 HydrophobicContact CD1-CG1 3.86Å; Y157-V169 HydrophobicContact CE1-CG1 3.88Å; A165-V169 HydrophobicContact CB-CB 4.19Å; A165-V169 HydrophobicContact CB-CG1 4.16Å; D166-V169 PolarHBondContact O-N 3.03Å; T167-V169 VanDerWaalsContact C-N 3.28Å; T167-V169 PolarHBondContact O-N 3.17Å; V169-K171 VanDerWaalsContact C-N 3.27Å; V169-K171 PolarHBondContact O-N 3.35Å; V169-V172 PolarHBondContact O-N 3.03Å; V169-V173 HydrophobicContact CG1-CG2 4.32Å; V169-V173 WeakPolarHBondContact O-CG2 3.38Å; V169-V173 PolarHBondContact O-N 2.89Å
170	T	96.3	Very high	97.2	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-35.1	-172.4	71.2	0	0	0	0	111.8	F42 G43 A165 D166 T167 V173 E174	F42-T170 HydrophobicContact CD1-CG2 4.24Å; F42-T170 HydrophobicContact CE1-CG2 4.22Å; F42-T170 VanDerWaalsContact O-CB 3.29Å; F42-T170 WeakPolarHBondContact O-CB 3.43Å; F42-T170 PolarHBondContact O-OG1 3.42Å; G43-T170 WeakPolarHBondContact O-CG2 3.46Å; A165-T170 HydrophobicContact CB-CG2 3.64Å; A165-T170 VanDerWaalsContact O-CG2 3.27Å; A165-T170 WeakPolarHBondContact O-CG2 3.34Å; D166-T170 WeakPolarHBondContact O-CG2 3.17Å; D166-T170 PolarHBondContact O-N 3.45Å; T167-T170 WeakPolarHBondContact CA-OG1 3.29Å; T170-V173 PolarHBondContact O-N 3.27Å; T170-E174 WeakPolarHBondContact O-CB 3.32Å; T170-E174 PolarHBondContact O-N 3.03Å
171	K	97.6	Very high	97.2	Very high	96 Å²	96	38.9 Å²	38.9	42%	0.417	21%	0.209	S	C	.	.	H	α-helix	trans	-68	-39.9	178.3	-172.2	52	176.7	153.3	0	112.5	T167 V169 E174 D175	T167-K171 WeakPolarHBondContact O-CB 3.16Å; T167-K171 PolarHBondContact O-N 3.4Å; T167-K171 VanDerWaalsContact O-N 3.11Å; V169-K171 VanDerWaalsContact C-N 3.27Å; V169-K171 PolarHBondContact O-N 3.35Å; K171-E174 IonicContact NZ-OE1 2.8Å; K171-E174 PolarHBondContact NZ-OE1 3.39Å; K171-E174 PolarHBondContact O-N 3.29Å; K171-D175 WeakPolarHBondContact CE-OD1 3.42Å; K171-D175 WeakPolarHBondContact CE-OD2 3.47Å; K171-D175 IonicContact NZ-OD1 2.76Å; K171-D175 PolarHBondContact NZ-OD1 3.45Å; K171-D175 IonicContact NZ-OD2 2.72Å; K171-D175 WeakPolarHBondContact O-CB 3.35Å; K171-D175 VanDerWaalsContact O-CG 3.27Å; K171-D175 PolarHBondContact O-N 2.94Å
172	V	98.5	Very high	97.1	Very high	59 Å²	59	41.5 Å²	41.5	36%	0.358	24%	0.236	S	C	.	.	H	α-helix	trans	-65	-42.9	176.7	176.4	0	0	0	0	110.6	E71 N168 V169 R176	E71-V172 WeakPolarHBondContact OE2-CG1 3.25Å; N168-V172 WeakPolarHBondContact O-CG2 3.36Å; V169-V172 PolarHBondContact O-N 3.03Å; V172-R176 VanDerWaalsContact O-CB 3.25Å; V172-R176 WeakPolarHBondContact O-CB 3.44Å; V172-R176 PolarHBondContact O-N 3.03Å
173	V	98.7	Very high	97.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-45	175.8	172.6	0	0	0	0	111.2	F42 A67 I68 E71 V169 T170 R176 A177	F42-V173 HydrophobicContact CD1-CB 4.11Å; F42-V173 HydrophobicContact CD1-CG1 3.85Å; F42-V173 HydrophobicContact CD2-CG1 4.45Å; F42-V173 HydrophobicContact CE1-CB 4.28Å; F42-V173 HydrophobicContact CE1-CG1 3.91Å; F42-V173 HydrophobicContact CG-CG1 4.14Å; F42-V173 HydrophobicContact CZ-CG1 4.25Å; A67-V173 HydrophobicContact CB-CG1 4.02Å; I68-V173 HydrophobicContact CG1-CG1 3.98Å; I68-V173 HydrophobicContact CG1-CG2 4.27Å; E71-V173 HydrophobicContact CB-CG2 4.34Å; E71-V173 HydrophobicContact CG-CG2 4.41Å; V169-V173 HydrophobicContact CG1-CG2 4.32Å; V169-V173 WeakPolarHBondContact O-CG2 3.38Å; V169-V173 PolarHBondContact O-N 2.89Å; T170-V173 PolarHBondContact O-N 3.27Å; V173-R176 PolarHBondContact O-N 3.38Å; V173-A177 VanDerWaalsContact O-CB 3.26Å; V173-A177 WeakPolarHBondContact O-CB 3.37Å; V173-A177 PolarHBondContact O-N 3.02Å
174	E	98.7	Very high	97	Very high	41 Å²	41	48 Å²	48	19%	0.192	29%	0.285	C	S	.	.	H	α-helix	trans	-56.9	-52.3	176.3	-176.1	177.7	89.8	0	0	111.8	K41 F42 T170 K171 R176 A177 N178	K41-E174 WeakPolarHBondContact CA-OE2 3.38Å; F42-E174 HydrophobicContact CB-CB 3.93Å; F42-E174 HydrophobicContact CB-CG 4.41Å; F42-E174 PolarHBondContact N-OE2 3.18Å; T170-E174 WeakPolarHBondContact O-CB 3.32Å; T170-E174 PolarHBondContact O-N 3.03Å; K171-E174 IonicContact NZ-OE1 2.8Å; K171-E174 PolarHBondContact NZ-OE1 3.39Å; K171-E174 PolarHBondContact O-N 3.29Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 3.24Å; E174-A177 PolarHBondContact O-N 3.24Å; E174-N178 WeakPolarHBondContact O-CB 3.45Å; E174-N178 PolarHBondContact O-N 3.04Å; E174-N178 PolarHBondContact O-ND2 2.97Å
175	D	98.7	Very high	97.1	Very high	84 Å²	84	49.2 Å²	49.2	45%	0.449	29%	0.29	S	S	.	.	H	α-helix	trans	-65.5	-40.8	-176.7	-69.1	-19.2	0	0	0	110.7	K171 A179	K171-D175 WeakPolarHBondContact CE-OD1 3.42Å; K171-D175 WeakPolarHBondContact CE-OD2 3.47Å; K171-D175 IonicContact NZ-OD1 2.76Å; K171-D175 PolarHBondContact NZ-OD1 3.45Å; K171-D175 IonicContact NZ-OD2 2.72Å; K171-D175 WeakPolarHBondContact O-CB 3.35Å; K171-D175 VanDerWaalsContact O-CG 3.27Å; K171-D175 PolarHBondContact O-N 2.94Å; D175-A179 WeakPolarHBondContact O-CB 3.27Å; D175-A179 PolarHBondContact O-N 3.23Å
176	R	98.8	Very high	97.2	Very high	83 Å²	83	56.8 Å²	56.8	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-66.6	-44.1	177.4	-179.9	54.2	175.3	152.3	2.1	112.3	A67 E70 V172 V173 E174 A179 L180	A67-R176 HydrophobicContact CB-CB 3.87Å; A67-R176 HydrophobicContact CB-CG 3.69Å; E70-R176 IonicContact OE1-CZ 3.55Å; E70-R176 IonicContact OE1-NE 3.43Å; E70-R176 IonicContact OE1-NH2 3.62Å; E70-R176 PolarHBondContact OE1-NH2 2.97Å; E70-R176 IonicContact OE2-CZ 2.72Å; E70-R176 IonicContact OE2-NE 3.32Å; E70-R176 PolarHBondContact OE2-NE 2.91Å; E70-R176 IonicContact OE2-NH2 3.76Å; E70-R176 PolarHBondContact OE2-NH2 2.75Å; V172-R176 VanDerWaalsContact O-CB 3.25Å; V172-R176 WeakPolarHBondContact O-CB 3.44Å; V172-R176 PolarHBondContact O-N 3.03Å; V173-R176 PolarHBondContact O-N 3.38Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 3.24Å; R176-A179 PolarHBondContact O-N 2.89Å; R176-L180 HydrophobicContact CG-CD1 4.21Å; R176-L180 WeakPolarHBondContact O-CG 3.31Å; R176-L180 PolarHBondContact O-N 2.87Å
177	A	98.8	Very high	97.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-42.9	178.6	0	0	0	0	0	111.4	V40 A63 I64 A67 V173 E174 A179 L180 L181	V40-A177 HydrophobicContact CB-CB 4.3Å; V40-A177 HydrophobicContact CG1-CB 4.13Å; V40-A177 HydrophobicContact CG2-CB 4.11Å; A63-A177 HydrophobicContact CB-CB 4.09Å; I64-A177 HydrophobicContact CG1-CB 3.96Å; A67-A177 HydrophobicContact CB-CB 4.33Å; V173-A177 VanDerWaalsContact O-CB 3.26Å; V173-A177 WeakPolarHBondContact O-CB 3.37Å; V173-A177 PolarHBondContact O-N 3.02Å; E174-A177 PolarHBondContact O-N 3.24Å; A177-A179 PolarHBondContact O-N 2.85Å; A177-L180 WeakPolarHBondContact O-CB 3.23Å; A177-L180 PolarHBondContact O-N 3.42Å; A177-L181 PolarHBondContact O-N 2.81Å
178	N	98.7	Very high	97.9	Very high	43 Å²	43	53.1 Å²	53.1	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-36.8	175	-77.1	-51.7	0	0	0	112.7	V40 E174 L181 A182	V40-N178 PolarHBondContact N-OD1 2.84Å; V40-N178 PolarHBondContact O-ND2 3.22Å; E174-N178 WeakPolarHBondContact O-CB 3.45Å; E174-N178 PolarHBondContact O-N 3.04Å; E174-N178 PolarHBondContact O-ND2 2.97Å; N178-L181 PolarHBondContact O-N 3.16Å; N178-A182 WeakPolarHBondContact O-CB 3.27Å; N178-A182 PolarHBondContact O-N 3.12Å
179	A	98.6	Very high	98.1	Very high	49 Å²	49	53 Å²	53	41%	0.405	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-40.1	173.3	0	0	0	0	0	112.3	D175 R176 A177 A182 D183	D175-A179 WeakPolarHBondContact O-CB 3.27Å; D175-A179 PolarHBondContact O-N 3.23Å; R176-A179 PolarHBondContact O-N 2.89Å; A177-A179 PolarHBondContact O-N 2.85Å; A179-A182 PolarHBondContact O-N 3.01Å; A179-D183 PolarHBondContact O-N 3.11Å; A179-D183 VanDerWaalsContact O-N 3.14Å
180	L	98.7	Very high	98.3	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-64.2	-40.9	174.7	-74.2	165	0	0	0	111.9	A63 Q66 R176 A177 D183 G184 L185 V188	A63-L180 HydrophobicContact CB-CB 3.98Å; A63-L180 HydrophobicContact CB-CD1 4.46Å; A63-L180 WeakPolarHBondContact O-CD1 3.37Å; Q66-L180 HydrophobicContact CB-CD1 3.83Å; Q66-L180 HydrophobicContact CG-CD1 3.7Å; Q66-L180 HydrophobicContact CG-CD2 4.45Å; R176-L180 HydrophobicContact CG-CD1 4.21Å; R176-L180 WeakPolarHBondContact O-CG 3.31Å; R176-L180 PolarHBondContact O-N 2.87Å; A177-L180 WeakPolarHBondContact O-CB 3.23Å; A177-L180 PolarHBondContact O-N 3.42Å; L180-D183 PolarHBondContact O-N 2.98Å; L180-G184 PolarHBondContact O-N 2.96Å; L180-L185 WeakPolarHBondContact O-CA 3.48Å; L180-L185 PolarHBondContact O-N 3.27Å; L180-V188 HydrophobicContact CD1-CG2 4.42Å; L180-V188 HydrophobicContact CD2-CG2 4.22Å
181	L	98.5	Very high	98.4	Very high	34 Å²	34	59.1 Å²	59.1	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-60.6	-46.6	173.4	-76.1	174.7	0	0	0	111.7	P31 V40 P59 A63 A177 N178 D183 G184 L185	P31-L181 HydrophobicContact CG-CD2 4.06Å; V40-L181 HydrophobicContact CG2-CD1 3.76Å; P59-L181 HydrophobicContact CB-CD2 3.54Å; P59-L181 WeakPolarHBondContact O-CD2 3.22Å; A63-L181 HydrophobicContact CB-CD2 4.42Å; A63-L181 HydrophobicContact CB-CG 4.12Å; A177-L181 PolarHBondContact O-N 2.81Å; N178-L181 PolarHBondContact O-N 3.16Å; L181-D183 VanDerWaalsContact C-N 3.28Å; L181-D183 PolarHBondContact O-N 3.17Å; L181-G184 PolarHBondContact O-N 2.65Å; L181-L185 HydrophobicContact CD2-CD2 4.07Å
182	A	97.9	Very high	98.4	Very high	92 Å²	92	56.8 Å²	56.8	76%	0.76	32%	0.322	S	S	*	.	H	α-helix	trans	-62.8	-31.9	-179.2	0	0	0	0	0	113.3	N178 A179 G184	N178-A182 WeakPolarHBondContact O-CB 3.27Å; N178-A182 PolarHBondContact O-N 3.12Å; A179-A182 PolarHBondContact O-N 3.01Å; A182-G184 VanDerWaalsContact C-N 3.3Å
183	D	97	Very high	98.5	Very high	78 Å²	78	56.5 Å²	56.5	42%	0.417	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	11.2	176.1	-167.2	32.3	0	0	0	113.5	A179 L180 L181 L185 K186	A179-D183 PolarHBondContact O-N 3.11Å; A179-D183 VanDerWaalsContact O-N 3.14Å; L180-D183 PolarHBondContact O-N 2.98Å; L181-D183 VanDerWaalsContact C-N 3.28Å; L181-D183 PolarHBondContact O-N 3.17Å; D183-L185 PolarHBondContact O-N 3.18Å; D183-K186 WeakPolarHBondContact O-CG 3.31Å; D183-K186 IonicContact OD1-NZ 3.82Å; D183-K186 PolarHBondContact OD1-NZ 2.96Å
184	G	97.4	Very high	98.5	Very high	59 Å²	59	62.9 Å²	62.9	61%	0.608	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	35.8	178.5	0	0	0	0	0	113.4	L180 L181 A182 K186	L180-G184 PolarHBondContact O-N 2.96Å; L181-G184 PolarHBondContact O-N 2.65Å; A182-G184 VanDerWaalsContact C-N 3.3Å; G184-K186 VanDerWaalsContact C-N 3.26Å; G184-K186 PolarHBondContact O-N 3.26Å
185	L	98.5	Very high	98.5	Very high	40 Å²	40	66.1 Å²	66.1	21%	0.209	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	14.6	175.6	-51.1	177.4	0	0	0	116	P59 L62 A63 L180 L181 D183 G187 V188	P59-L185 HydrophobicContact CB-CD1 4.06Å; L62-L185 HydrophobicContact CB-CD1 4.5Å; L62-L185 HydrophobicContact CD1-CD1 4.09Å; A63-L185 HydrophobicContact CB-CD2 3.99Å; L180-L185 WeakPolarHBondContact O-CA 3.48Å; L180-L185 PolarHBondContact O-N 3.27Å; L181-L185 HydrophobicContact CD2-CD2 4.07Å; D183-L185 PolarHBondContact O-N 3.18Å; L185-G187 PolarHBondContact O-N 3.41Å; L185-V188 HydrophobicContact CB-CB 4.42Å; L185-V188 HydrophobicContact CB-CG2 3.97Å; L185-V188 HydrophobicContact CD2-CG2 4.06Å; L185-V188 WeakPolarHBondContact O-CB 3.48Å; L185-V188 PolarHBondContact O-N 3.37Å
186	K	97.7	Very high	98.5	Very high	162 Å²	162	62.1 Å²	62.1	70%	0.704	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.2	-178.2	-68.6	176.8	-159.8	144.8	0	114.4	D183 G184	D183-K186 WeakPolarHBondContact O-CG 3.31Å; D183-K186 IonicContact OD1-NZ 3.82Å; D183-K186 PolarHBondContact OD1-NZ 2.96Å; G184-K186 VanDerWaalsContact C-N 3.26Å; G184-K186 PolarHBondContact O-N 3.26Å
187	G	98.1	Very high	98.5	Very high	31 Å²	31	61.9 Å²	61.9	32%	0.32	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.4	178.9	0	0	0	0	0	114.9	L185	L185-G187 PolarHBondContact O-N 3.41Å
188	V	98.9	Very high	98.4	Very high	24 Å²	24	66 Å²	66	15%	0.145	38%	0.383	C	S	.	.			trans	-80.6	122.3	179.2	178.6	0	0	0	0	109.7	L62 Q66 V101 L180 L185	L62-V188 HydrophobicContact CB-CG1 4.2Å; Q66-V188 HydrophobicContact CB-CB 4.47Å; Q66-V188 HydrophobicContact CB-CG1 4.31Å; Q66-V188 HydrophobicContact CB-CG2 4.04Å; Q66-V188 HydrophobicContact CG-CG2 4.26Å; V101-V188 HydrophobicContact CG1-CG1 4.39Å; V101-V188 HydrophobicContact CG2-CG1 3.82Å; L180-V188 HydrophobicContact CD1-CG2 4.42Å; L180-V188 HydrophobicContact CD2-CG2 4.22Å; L185-V188 HydrophobicContact CB-CB 4.42Å; L185-V188 HydrophobicContact CB-CG2 3.97Å; L185-V188 HydrophobicContact CD2-CG2 4.06Å; L185-V188 WeakPolarHBondContact O-CB 3.48Å; L185-V188 PolarHBondContact O-N 3.37Å
189	K	98.9	Very high	98.4	Very high	111 Å²	111	66.3 Å²	66.3	48%	0.483	39%	0.389	S	S	.	.			trans	-84.4	130.1	166.6	-53.6	-175.9	-160.5	150.2	0	108.3	V101 A104 N105	V101-K189 WeakPolarHBondContact CA-O 3.41Å; A104-K189 HydrophobicContact CB-CB 3.92Å; N105-K189 WeakPolarHBondContact OD1-CD 3.47Å; N105-K189 WeakPolarHBondContact OD1-CE 3.25Å; N105-K189 PolarHBondContact OD1-NZ 3.41Å
190	R	98.8	Very high	98.4	Very high	103 Å²	103	66.2 Å²	66.2	39%	0.389	39%	0.393	S	S	.	.			trans	-145.7	136.8	-178.2	-173.6	-174.8	179.1	177.8	3.1	108.9	E58 L62 E100	E58-R190 IonicContact OE1-CZ 2.83Å; E58-R190 IonicContact OE1-NH1 2.76Å; E58-R190 PolarHBondContact OE1-NH1 3.4Å; E58-R190 IonicContact OE1-NH2 2.98Å; E58-R190 PolarHBondContact OE1-NH2 3.32Å; E58-R190 IonicContact OE2-NH1 3.96Å; L62-R190 HydrophobicContact CD2-CG 4.4Å; E100-R190 HydrophobicContact CB-CG 4Å; E100-R190 IonicContact OE1-NE 3.77Å; E100-R190 IonicContact OE1-NH2 2.9Å; E100-R190 PolarHBondContact OE1-NH2 3.23Å; E100-R190 IonicContact OE2-CZ 2.75Å; E100-R190 IonicContact OE2-NE 3.21Å; E100-R190 PolarHBondContact OE2-NE 3.01Å; E100-R190 IonicContact OE2-NH2 2.77Å; E100-R190 PolarHBondContact OE2-NH2 3.49Å
191	I	98.8	Very high	98.4	Very high	48 Å²	48	68.7 Å²	68.7	25%	0.246	40%	0.404	C	S	.	.			trans	-117.6	164.9	164.1	60.5	-177.8	0	0	0	107.8	E100 A103 A104 E195 A196	E100-I191 VanDerWaalsContact CB-O 3.24Å; E100-I191 WeakPolarHBondContact CB-O 3.21Å; E100-I191 VanDerWaalsContact CG-O 3.26Å; E100-I191 WeakPolarHBondContact CG-O 3.44Å; E100-I191 PolarHBondContact O-N 3.23Å; A103-I191 HydrophobicContact CB-CD1 3.87Å; A104-I191 HydrophobicContact CB-CB 4.43Å; A104-I191 HydrophobicContact CB-CG1 4.13Å; A104-I191 HydrophobicContact CB-CG2 3.99Å; I191-E195 HydrophobicContact CB-CB 3.98Å; I191-E195 HydrophobicContact CD1-CB 4.11Å; I191-E195 HydrophobicContact CG1-CB 4.23Å; I191-A196 HydrophobicContact CD1-CB 4.05Å; I191-A196 HydrophobicContact CG1-CB 4.14Å
192	S	98.8	Very high	98.4	Very high	48 Å²	48	67.7 Å²	67.7	34%	0.336	40%	0.4	S	S	.	.			trans	-65.8	158.8	173.8	61.5	0	0	0	0	111.5	D194 E195 A196	S192-D194 VanDerWaalsContact C-N 3.28Å; S192-D194 PolarHBondContact O-N 2.85Å; S192-E195 WeakPolarHBondContact CB-OE2 2.97Å; S192-E195 PolarHBondContact N-OE2 3.44Å; S192-E195 PolarHBondContact O-N 3.04Å; S192-E195 WeakPolarHBondContact OG-CB 3.27Å; S192-E195 VanDerWaalsContact OG-CD 3.25Å; S192-E195 WeakPolarHBondContact OG-CG 3.5Å; S192-E195 PolarHBondContact OG-N 3Å; S192-E195 PolarHBondContact OG-OE2 2.87Å; S192-A196 PolarHBondContact O-N 2.71Å
193	L	98.8	Very high	98.5	Very high	53 Å²	53	68.2 Å²	68.2	28%	0.277	39%	0.385	S	S	.	.	H	α-helix	trans	-56	-42.4	174.3	-179.2	61.1	0	0	0	112.3	I96 L99 E100 E195 A196 M197	I96-L193 HydrophobicContact CD1-CD2 4.25Å; I96-L193 HydrophobicContact CG1-CD2 4.07Å; I96-L193 HydrophobicContact CG2-CB 4.23Å; I96-L193 HydrophobicContact CG2-CD1 4.31Å; I96-L193 HydrophobicContact CG2-CD2 4.04Å; I96-L193 HydrophobicContact CG2-CG 4.42Å; L99-L193 HydrophobicContact CB-CD1 4.44Å; L99-L193 HydrophobicContact CD1-CD1 4.15Å; E100-L193 HydrophobicContact CG-CB 4.45Å; E100-L193 PolarHBondContact OE1-N 3.12Å; L193-E195 VanDerWaalsContact C-N 3.33Å; L193-E195 PolarHBondContact O-N 3.36Å; L193-A196 WeakPolarHBondContact O-CB 3.4Å; L193-A196 PolarHBondContact O-N 3.36Å; L193-A196 VanDerWaalsContact O-N 3.15Å; L193-M197 HydrophobicContact CD1-CG 4.2Å; L193-M197 HydrophobicContact CD1-SD 4.49Å; L193-M197 HydrophobicContact CG-CG 4.45Å; L193-M197 WeakPolarHBondContact O-CG 3.48Å; L193-M197 PolarHBondContact O-N 2.78Å
194	D	98.8	Very high	98.6	Very high	135 Å²	135	69.3 Å²	69.3	72%	0.722	39%	0.387	S	S	*	.	H	α-helix	trans	-60.8	-42.7	178	-70.2	-22.6	0	0	0	111.6	S192 A198	S192-D194 VanDerWaalsContact C-N 3.28Å; S192-D194 PolarHBondContact O-N 2.85Å; D194-A198 VanDerWaalsContact O-CB 3.27Å; D194-A198 WeakPolarHBondContact O-CB 3.49Å; D194-A198 PolarHBondContact O-N 2.91Å
195	E	98.8	Very high	98.6	Very high	109 Å²	109	70.3 Å²	70.3	51%	0.509	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-39.6	174.3	-71.8	166.3	138.5	0	0	111.8	I191 S192 L193 A198 S199	I191-E195 HydrophobicContact CB-CB 3.98Å; I191-E195 HydrophobicContact CD1-CB 4.11Å; I191-E195 HydrophobicContact CG1-CB 4.23Å; S192-E195 WeakPolarHBondContact CB-OE2 2.97Å; S192-E195 PolarHBondContact N-OE2 3.44Å; S192-E195 PolarHBondContact O-N 3.04Å; S192-E195 WeakPolarHBondContact OG-CB 3.27Å; S192-E195 VanDerWaalsContact OG-CD 3.25Å; S192-E195 WeakPolarHBondContact OG-CG 3.5Å; S192-E195 PolarHBondContact OG-N 3Å; S192-E195 PolarHBondContact OG-OE2 2.87Å; L193-E195 VanDerWaalsContact C-N 3.33Å; L193-E195 PolarHBondContact O-N 3.36Å; E195-A198 PolarHBondContact O-N 2.94Å; E195-S199 WeakPolarHBondContact O-CB 3.4Å; E195-S199 PolarHBondContact O-N 3.05Å
196	A	98.8	Very high	98.6	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-61	-47	176.6	0	0	0	0	0	111.5	A103 I191 S192 L193 A198 S199 V202	A103-A196 HydrophobicContact CB-CB 3.73Å; I191-A196 HydrophobicContact CD1-CB 4.05Å; I191-A196 HydrophobicContact CG1-CB 4.14Å; S192-A196 PolarHBondContact O-N 2.71Å; L193-A196 WeakPolarHBondContact O-CB 3.4Å; L193-A196 PolarHBondContact O-N 3.36Å; L193-A196 VanDerWaalsContact O-N 3.15Å; A196-A198 VanDerWaalsContact C-N 3.35Å; A196-A198 PolarHBondContact O-N 2.53Å; A196-S199 PolarHBondContact O-N 3.26Å; A196-S199 PolarHBondContact O-OG 2.84Å; A196-V202 HydrophobicContact CB-CG2 4.44Å
197	M	98.4	Very high	98.7	Very high	77 Å²	77	63.5 Å²	63.5	38%	0.379	35%	0.348	S	S	.	.	H	α-helix	trans	-65.9	-36.2	176.8	-63	-55.1	-70.9	0	0	112.2	L193 V202 E204	L193-M197 HydrophobicContact CD1-CG 4.2Å; L193-M197 HydrophobicContact CD1-SD 4.49Å; L193-M197 HydrophobicContact CG-CG 4.45Å; L193-M197 WeakPolarHBondContact O-CG 3.48Å; L193-M197 PolarHBondContact O-N 2.78Å; M197-V202 HydrophobicContact CE-CG1 4.27Å; M197-V202 HydrophobicContact SD-CB 3.99Å; M197-V202 HydrophobicContact SD-CG1 3.75Å; M197-V202 HydrophobicContact SD-CG2 4.32Å; M197-E204 WeakPolarHBondContact CE-OE1 3.26Å
198	A	98.5	Very high	98.7	Very high	86 Å²	86	62.4 Å²	62.4	71%	0.711	34%	0.335	S	S	*	.	H	α-helix	trans	-78.4	-16.5	178.2	0	0	0	0	0	114.3	D194 E195 A196 G200	D194-A198 VanDerWaalsContact O-CB 3.27Å; D194-A198 WeakPolarHBondContact O-CB 3.49Å; D194-A198 PolarHBondContact O-N 2.91Å; E195-A198 PolarHBondContact O-N 2.94Å; A196-A198 VanDerWaalsContact C-N 3.35Å; A196-A198 PolarHBondContact O-N 2.53Å; A198-G200 PolarHBondContact O-N 3.37Å
199	S	98.3	Very high	98.7	Very high	50 Å²	50	63.2 Å²	63.2	35%	0.35	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.6	-174.6	70.4	0	0	0	0	114.5	E195 A196 H201	E195-S199 WeakPolarHBondContact O-CB 3.4Å; E195-S199 PolarHBondContact O-N 3.05Å; A196-S199 PolarHBondContact O-N 3.26Å; A196-S199 PolarHBondContact O-OG 2.84Å; S199-H201 PolarHBondContact O-N 2.77Å; S199-H201 WeakPolarHBondContact OG-CB 3.2Å; S199-H201 PolarHBondContact OG-CD2 3.03Å; S199-H201 PolarHBondContact OG-N 2.9Å; S199-H201 VanDerWaalsContact OG-N 3.14Å
200	G	98.3	Very high	98.7	Very high	48 Å²	48	61.8 Å²	61.8	50%	0.495	34%	0.339	S	S	.	.	S	Bend	trans	80.9	-3.6	-170.4	0	0	0	0	0	114.5	A198	A198-G200 PolarHBondContact O-N 3.37Å
201	H	98.8	Very high	98.7	Very high	54 Å²	54	57 Å²	57	25%	0.25	32%	0.321	C	S	.	.			trans	-77.1	-32.2	175.8	-71.3	-57.8	0	0	0	112.9	A103 D108 V109 S199	A103-H201 HydrophobicContact CB-CB 4.27Å; D108-H201 CarbonylContact C-O 3.57Å; D108-H201 WeakPolarHBondContact CA-O 3.3Å; D108-H201 IonicContact OD1-CE1 2.81Å; D108-H201 IonicContact OD1-CG 3.66Å; D108-H201 IonicContact OD1-ND1 3.91Å; D108-H201 PolarHBondContact OD1-ND1 3.02Å; V109-H201 PolarHBondContact N-O 2.98Å; S199-H201 PolarHBondContact O-N 2.77Å; S199-H201 WeakPolarHBondContact OG-CB 3.2Å; S199-H201 PolarHBondContact OG-CD2 3.03Å; S199-H201 PolarHBondContact OG-N 2.9Å; S199-H201 VanDerWaalsContact OG-N 3.14Å
202	V	98.8	Very high	98.7	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.085	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.7	178.8	-172.7	0	0	0	0	109.9	L99 V111 A196 M197	L99-V202 HydrophobicContact CD1-CG1 4.41Å; L99-V202 HydrophobicContact CD2-CG1 4.47Å; V111-V202 HydrophobicContact CG1-CG1 4.37Å; V111-V202 HydrophobicContact CG2-CG1 4.2Å; A196-V202 HydrophobicContact CB-CG2 4.44Å; M197-V202 HydrophobicContact CE-CG1 4.27Å; M197-V202 HydrophobicContact SD-CB 3.99Å; M197-V202 HydrophobicContact SD-CG1 3.75Å; M197-V202 HydrophobicContact SD-CG2 4.32Å
203	K	98.8	Very high	98.7	Very high	102 Å²	102	56.7 Å²	56.7	44%	0.443	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.4	178.6	-63.5	-180	-174.7	171.2	0	110.3	V109 I110 V111	V109-K203 PolarHBondContact O-N 3.17Å; I110-K203 WeakPolarHBondContact CA-O 3.41Å; V111-K203 PolarHBondContact N-O 3.44Å
204	E	98.8	Very high	98.7	Very high	101 Å²	101	54.7 Å²	54.7	47%	0.472	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.6	171.8	-65.6	-174.1	-178	0	0	110.1	V111 E113 M197	V111-E204 HydrophobicContact CG2-CB 4.48Å; V111-E204 HydrophobicContact CG2-CG 3.79Å; E113-E204 HydrophobicContact CB-CB 4.04Å; M197-E204 WeakPolarHBondContact CE-OE1 3.26Å
205	Q	98.6	Very high	98.7	Very high	80 Å²	80	48.3 Å²	48.3	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.9	176.9	-63.9	-175.1	0.5	0	0	110.6	I110 V111 Q112 E113 L207	I110-Q205 HydrophobicContact CG2-CB 4.18Å; I110-Q205 HydrophobicContact CG2-CG 4.1Å; V111-Q205 PolarHBondContact O-N 3.4Å; Q112-Q205 WeakPolarHBondContact CA-O 3.49Å; E113-Q205 PolarHBondContact N-O 3.23Å; Q205-L207 HydrophobicContact CB-CD2 4.41Å; Q205-L207 PolarHBondContact O-N 2.93Å
206	D	98.8	Very high	98.7	Very high	44 Å²	44	45.4 Å²	45.4	24%	0.235	27%	0.266	C	S	.	.			trans	-77.5	109.1	165	-176	23.2	0	0	0	110.5	Q112 E113 V208 Q209 P210 R246	Q112-D206 PolarHBondContact NE2-OD1 3.25Å; E113-D206 HydrophobicContact CG-CB 4.48Å; D206-V208 WeakPolarHBondContact OD1-CB 3.41Å; D206-V208 WeakPolarHBondContact OD1-CG2 3.21Å; D206-V208 PolarHBondContact OD1-N 2.81Å; D206-Q209 WeakPolarHBondContact OD2-CB 3.39Å; D206-Q209 PolarHBondContact OD2-N 2.8Å; D206-P210 VanDerWaalsContact O-CD 3.3Å; D206-P210 WeakPolarHBondContact O-CD 3.25Å; D206-R246 IonicContact OD2-NH1 3.22Å
207	L	98.9	Very high	98.7	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.084	29%	0.289	C	S	.	.			trans	-89.5	-13	173.9	-54	178.4	0	0	0	111.9	Y82 I110 Q112 T118 Q205 F211	Y82-L207 HydrophobicContact CD1-CD2 4.27Å; Y82-L207 HydrophobicContact CE1-CD2 4.1Å; I110-L207 HydrophobicContact CG2-CD2 4.26Å; Q112-L207 VanDerWaalsContact OE1-CB 3.31Å; T118-L207 HydrophobicContact CG2-CD1 3.94Å; Q205-L207 HydrophobicContact CB-CD2 4.41Å; Q205-L207 PolarHBondContact O-N 2.93Å; L207-F211 WeakPolarHBondContact O-CB 3.23Å
208	V	98.9	Very high	98.8	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-70.5	-54.4	-178.7	-172.7	0	0	0	0	110.3	D206 F211 V212 Y243 R246	D206-V208 WeakPolarHBondContact OD1-CB 3.41Å; D206-V208 WeakPolarHBondContact OD1-CG2 3.21Å; D206-V208 PolarHBondContact OD1-N 2.81Å; V208-F211 PolarHBondContact O-N 3.37Å; V208-V212 HydrophobicContact CG1-CG2 4.09Å; V208-V212 WeakPolarHBondContact O-CG2 3.4Å; V208-V212 PolarHBondContact O-N 2.89Å; V208-Y243 HydrophobicContact CB-CE2 4.39Å; V208-Y243 HydrophobicContact CG1-CD1 4.27Å; V208-Y243 HydrophobicContact CG1-CD2 4.21Å; V208-Y243 HydrophobicContact CG1-CE1 4.47Å; V208-Y243 HydrophobicContact CG1-CE2 4.4Å; V208-Y243 HydrophobicContact CG1-CG 4.12Å; V208-Y243 HydrophobicContact CG2-CD2 4.15Å; V208-Y243 HydrophobicContact CG2-CE2 3.67Å; V208-R246 HydrophobicContact CG1-CB 3.89Å; V208-R246 HydrophobicContact CG1-CG 4.11Å
209	Q	98.8	Very high	98.8	Very high	42 Å²	42	42 Å²	42	20%	0.196	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-50.2	-173.5	-170.5	67.5	18.7	0	0	113.1	D206 F211 V212 E213 R246	D206-Q209 WeakPolarHBondContact OD2-CB 3.39Å; D206-Q209 PolarHBondContact OD2-N 2.8Å; Q209-F211 VanDerWaalsContact C-N 3.3Å; Q209-F211 PolarHBondContact O-N 3.15Å; Q209-V212 PolarHBondContact O-N 3.09Å; Q209-E213 HydrophobicContact CG-CG 4.16Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.23Å; Q209-E213 PolarHBondContact NE2-OE1 3.45Å; Q209-E213 WeakPolarHBondContact O-CG 3.47Å; Q209-E213 PolarHBondContact O-N 3.4Å; Q209-R246 VanDerWaalsContact OE1-CD 3.29Å
210	P	98.8	Very high	98.8	Very high	80 Å²	80	42.4 Å²	42.4	52%	0.519	24%	0.236	S	C	.	.	H	α-helix	trans	-62.1	-36.5	-179.5	-22.4	34.8	0	0	0	113.2	D206 G214	D206-P210 VanDerWaalsContact O-CD 3.3Å; D206-P210 WeakPolarHBondContact O-CD 3.25Å; P210-G214 PolarHBondContact O-N 3.36Å; P210-G214 VanDerWaalsContact O-N 3.16Å
211	F	98.9	Very high	98.8	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.013	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-49	175	-176.5	-82.9	0	0	0	110.6	P121 A122 N125 L207 V208 Q209 G214 L215 Y243 W405 I412	P121-F211 HydrophobicContact CB-CE2 4.46Å; A122-F211 HydrophobicContact CB-CD2 3.94Å; A122-F211 HydrophobicContact CB-CE2 4.23Å; A122-F211 HydrophobicContact CB-CG 4.48Å; N125-F211 HydrophobicContact CB-CD2 3.97Å; N125-F211 HydrophobicContact CB-CE2 4.17Å; L207-F211 WeakPolarHBondContact O-CB 3.23Å; V208-F211 PolarHBondContact O-N 3.37Å; Q209-F211 VanDerWaalsContact C-N 3.3Å; Q209-F211 PolarHBondContact O-N 3.15Å; F211-G214 PolarHBondContact O-N 3.11Å; F211-L215 HydrophobicContact CE1-CD1 4.41Å; F211-L215 HydrophobicContact CE1-CD2 3.98Å; F211-L215 HydrophobicContact CE1-CG 4.36Å; F211-L215 HydrophobicContact CZ-CD2 4.48Å; F211-L215 PolarHBondContact O-N 3.28Å; F211-Y243 HydrophobicContact CB-CD1 4.4Å; F211-Y243 HydrophobicContact CB-CE1 3.84Å; F211-Y243 AromaticContact CD1-CD1 3.61Å; F211-Y243 HydrophobicContact CD1-CD1 3.61Å; F211-Y243 AromaticContact CD1-CE1 3.79Å; F211-Y243 HydrophobicContact CD1-CE1 3.79Å; F211-Y243 HydrophobicContact CD2-CE1 4.47Å; F211-Y243 HydrophobicContact CE1-CD1 4.1Å; F211-Y243 HydrophobicContact CE1-CE1 4.47Å; F211-Y243 HydrophobicContact CG-CD1 4.11Å; F211-Y243 AromaticContact CG-CE1 3.79Å; F211-Y243 HydrophobicContact CG-CE1 3.79Å; F211-W405 HydrophobicContact CD1-CZ2 4.22Å; F211-W405 HydrophobicContact CD2-CH2 4.47Å; F211-W405 AromaticContact CD2-CZ2 3.69Å; F211-W405 HydrophobicContact CD2-CZ2 3.69Å; F211-W405 HydrophobicContact CE1-CZ2 4.06Å; F211-W405 AromaticContact CE2-CE2 3.88Å; F211-W405 AromaticContact CE2-CZ2 3.51Å; F211-W405 HydrophobicContact CE2-CZ2 3.51Å; F211-W405 AromaticContact CE2-NE1 3.74Å; F211-W405 HydrophobicContact CG-CZ2 4.05Å; F211-W405 AromaticContact CZ-CZ2 3.71Å; F211-W405 HydrophobicContact CZ-CZ2 3.71Å; F211-W405 AromaticContact CZ-NE1 3.86Å; F211-W405 VanDerWaalsContact O-CH2 3.32Å; F211-W405 WeakPolarHBondContact O-CH2 3.45Å; F211-I412 HydrophobicContact CE1-CB 4.39Å; F211-I412 HydrophobicContact CE1-CD1 3.81Å; F211-I412 HydrophobicContact CE1-CG2 4.15Å; F211-I412 HydrophobicContact CZ-CB 4.48Å; F211-I412 HydrophobicContact CZ-CD1 4.1Å
212	V	98.9	Very high	98.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-45.3	-177.3	173.5	0	0	0	0	111.8	V208 Q209 G214 L215 Y243 R246 I247 Y250 Y251	V208-V212 HydrophobicContact CG1-CG2 4.09Å; V208-V212 WeakPolarHBondContact O-CG2 3.4Å; V208-V212 PolarHBondContact O-N 2.89Å; Q209-V212 PolarHBondContact O-N 3.09Å; V212-G214 VanDerWaalsContact C-N 3.27Å; V212-G214 PolarHBondContact O-N 3.13Å; V212-L215 WeakPolarHBondContact O-CB 3.32Å; V212-L215 PolarHBondContact O-N 3.48Å; V212-Y243 HydrophobicContact CG2-CD1 4.46Å; V212-R246 HydrophobicContact CB-CG 4.2Å; V212-R246 HydrophobicContact CG1-CG 4.11Å; V212-R246 HydrophobicContact CG2-CB 4.13Å; V212-R246 HydrophobicContact CG2-CG 4.03Å; V212-I247 HydrophobicContact CB-CG1 4.46Å; V212-I247 HydrophobicContact CG1-CG1 3.9Å; V212-I247 HydrophobicContact CG2-CG1 3.85Å; V212-Y250 HydrophobicContact CG1-CD1 4.21Å; V212-Y250 HydrophobicContact CG1-CG 4.28Å; V212-Y251 HydrophobicContact CG1-CD2 4.31Å; V212-Y251 HydrophobicContact CG1-CE2 3.84Å; V212-Y251 VanDerWaalsContact O-CE2 3.25Å; V212-Y251 WeakPolarHBondContact O-CE2 3.49Å; V212-Y251 PolarHBondContact O-OH 3.46Å
213	E	98.8	Very high	98.8	Very high	90 Å²	90	40.8 Å²	40.8	42%	0.421	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-38.7	176.8	-68.4	-175.4	176.6	0	0	112	Q209 L215 Y250 Y251	Q209-E213 HydrophobicContact CG-CG 4.16Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.23Å; Q209-E213 PolarHBondContact NE2-OE1 3.45Å; Q209-E213 WeakPolarHBondContact O-CG 3.47Å; Q209-E213 PolarHBondContact O-N 3.4Å; E213-L215 VanDerWaalsContact C-N 3.26Å; E213-L215 PolarHBondContact O-N 2.83Å; E213-Y250 HydrophobicContact CG-CE1 4.12Å; E213-Y250 HydrophobicContact CG-CE2 3.84Å; E213-Y251 PolarHBondContact O-OH 2.82Å
214	G	98.9	Very high	98.8	Very high	11 Å²	11	36.1 Å²	36.1	11%	0.113	21%	0.207	C	C	.	.	H	α-helix	trans	-69.8	-15.8	-179.6	0	0	0	0	0	114.9	P210 F211 V212 A216 D217 W405	P210-G214 PolarHBondContact O-N 3.36Å; P210-G214 VanDerWaalsContact O-N 3.16Å; F211-G214 PolarHBondContact O-N 3.11Å; V212-G214 VanDerWaalsContact C-N 3.27Å; V212-G214 PolarHBondContact O-N 3.13Å; G214-A216 PolarHBondContact O-N 3.12Å; G214-A216 VanDerWaalsContact O-N 3.14Å; G214-D217 WeakPolarHBondContact O-CB 3.17Å; G214-D217 PolarHBondContact O-N 3.22Å; G214-W405 VanDerWaalsContact C-CH2 3.47Å; G214-W405 WeakPolarHBondContact O-CZ3 3.39Å
215	L	98.9	Very high	98.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-59.3	-27.4	-178.1	-71.9	166.6	0	0	0	113	F211 V212 E213 D217 I218 V219 M221 I247 Y251 W405 I412 I413 L416	F211-L215 HydrophobicContact CE1-CD1 4.41Å; F211-L215 HydrophobicContact CE1-CD2 3.98Å; F211-L215 HydrophobicContact CE1-CG 4.36Å; F211-L215 HydrophobicContact CZ-CD2 4.48Å; F211-L215 PolarHBondContact O-N 3.28Å; V212-L215 WeakPolarHBondContact O-CB 3.32Å; V212-L215 PolarHBondContact O-N 3.48Å; E213-L215 VanDerWaalsContact C-N 3.26Å; E213-L215 PolarHBondContact O-N 2.83Å; L215-D217 PolarHBondContact O-N 2.78Å; L215-I218 HydrophobicContact CD2-CG2 4.43Å; L215-I218 VanDerWaalsContact O-CG2 3.29Å; L215-I218 WeakPolarHBondContact O-CG2 3.45Å; L215-I218 PolarHBondContact O-N 2.96Å; L215-I218 VanDerWaalsContact O-N 3.16Å; L215-V219 PolarHBondContact O-N 3.01Å; L215-M221 HydrophobicContact CB-CG 4.43Å; L215-I247 HydrophobicContact CD1-CD1 3.75Å; L215-I247 HydrophobicContact CD1-CG1 3.71Å; L215-Y251 HydrophobicContact CB-CE2 4.27Å; L215-Y251 HydrophobicContact CD1-CE2 4.38Å; L215-W405 HydrophobicContact CD2-CH2 4.29Å; L215-W405 HydrophobicContact CD2-CZ2 3.81Å; L215-W405 HydrophobicContact CG-CH2 4.43Å; L215-W405 HydrophobicContact CG-CZ2 4.35Å; L215-I412 HydrophobicContact CD2-CG2 4.41Å; L215-I413 HydrophobicContact CD2-CG2 3.88Å; L215-L416 HydrophobicContact CD1-CD1 3.7Å; L215-L416 HydrophobicContact CD2-CD1 3.97Å; L215-L416 HydrophobicContact CG-CD1 4.31Å
216	A	98.8	Very high	98.8	Very high	49 Å²	49	40.7 Å²	40.7	41%	0.405	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-63.6	-17.5	174.2	0	0	0	0	0	113.9	G214 M221 Y251	G214-A216 PolarHBondContact O-N 3.12Å; G214-A216 VanDerWaalsContact O-N 3.14Å; A216-M221 HydrophobicContact CB-CG 4.5Å; A216-Y251 HydrophobicContact CB-CE1 4.3Å; A216-Y251 PolarHBondContact N-OH 3.04Å
217	D	98.8	Very high	98.8	Very high	91 Å²	91	40.8 Å²	40.8	49%	0.487	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-86.9	-3.6	177.2	-63.4	-34.1	0	0	0	113.4	G214 L215 R399 F400	G214-D217 WeakPolarHBondContact O-CB 3.17Å; G214-D217 PolarHBondContact O-N 3.22Å; L215-D217 PolarHBondContact O-N 2.78Å; D217-R399 VanDerWaalsContact CB-NH1 3.33Å; D217-R399 WeakPolarHBondContact O-CB 3.47Å; D217-R399 IonicContact OD2-NH1 3.33Å; D217-R399 PolarHBondContact OD2-NH1 2.77Å; D217-F400 VanDerWaalsContact O-CD2 3.25Å; D217-F400 WeakPolarHBondContact O-CD2 3.3Å; D217-F400 PolarHBondContact O-N 3.23Å
218	I	98.9	Very high	98.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-36.1	-177.5	178.2	158.8	0	0	0	113.6	L215 R336 F397 R399 W405 I413	L215-I218 HydrophobicContact CD2-CG2 4.43Å; L215-I218 VanDerWaalsContact O-CG2 3.29Å; L215-I218 WeakPolarHBondContact O-CG2 3.45Å; L215-I218 PolarHBondContact O-N 2.96Å; L215-I218 VanDerWaalsContact O-N 3.16Å; I218-R336 PolarHBondContact O-NH2 3.49Å; I218-F397 HydrophobicContact CD1-CD2 3.83Å; I218-F397 HydrophobicContact CD1-CE2 3.65Å; I218-F397 HydrophobicContact CD1-CG 4.41Å; I218-F397 HydrophobicContact CD1-CZ 4.11Å; I218-F397 WeakPolarHBondContact CD1-O 3.21Å; I218-F397 HydrophobicContact CG1-CD2 3.85Å; I218-F397 HydrophobicContact CG1-CE2 3.27Å; I218-F397 HydrophobicContact CG1-CZ 3.86Å; I218-R399 HydrophobicContact CB-CG 4.36Å; I218-W405 HydrophobicContact CB-CD2 4.49Å; I218-W405 HydrophobicContact CB-CE3 4.3Å; I218-W405 HydrophobicContact CD1-CB 3.33Å; I218-W405 HydrophobicContact CD1-CD2 4.25Å; I218-W405 HydrophobicContact CD1-CG 3.56Å; I218-W405 HydrophobicContact CG2-CD2 3.87Å; I218-W405 HydrophobicContact CG2-CE3 3.75Å; I218-W405 HydrophobicContact CG2-CG 4.34Å; I218-W405 HydrophobicContact CG2-CZ3 4.2Å; I218-I413 HydrophobicContact CD1-CB 4.5Å; I218-I413 HydrophobicContact CD1-CD1 3.78Å; I218-I413 HydrophobicContact CD1-CG2 4.27Å; I218-I413 HydrophobicContact CG2-CG2 4.26Å
219	V	98.9	Very high	98.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-116.9	143.4	177.9	178	0	0	0	0	109.3	L215 M221 I224 F397 L416 E420	L215-V219 PolarHBondContact O-N 3.01Å; V219-M221 HydrophobicContact CB-SD 4.07Å; V219-M221 HydrophobicContact CG1-SD 3.86Å; V219-M221 PolarHBondContact O-N 3.36Å; V219-I224 HydrophobicContact CG1-CD1 3.71Å; V219-F397 HydrophobicContact CG2-CZ 4.06Å; V219-L416 HydrophobicContact CG1-CB 4.05Å; V219-L416 HydrophobicContact CG2-CB 4.11Å; V219-E420 WeakPolarHBondContact CA-OE2 3.08Å; V219-E420 HydrophobicContact CG1-CB 3.93Å; V219-E420 WeakPolarHBondContact CG1-OE2 3.45Å
220	D	98.8	Very high	98.8	Very high	59 Å²	59	43.5 Å²	43.5	32%	0.316	26%	0.263	S	S	.	.			trans	-75.7	75.1	176.5	-167.5	-16.5	0	0	0	110.6	A222 A223 I224 F400 E420	D220-A222 PolarHBondContact O-N 2.91Å; D220-A222 PolarHBondContact OD1-N 3.38Å; D220-A223 HydrophobicContact CB-CB 4.06Å; D220-A223 VanDerWaalsContact CG-CB 3.43Å; D220-A223 PolarHBondContact O-N 2.85Å; D220-A223 WeakPolarHBondContact OD1-CB 3.4Å; D220-A223 PolarHBondContact OD1-N 3.19Å; D220-I224 WeakPolarHBondContact O-CG1 3.47Å; D220-I224 PolarHBondContact O-N 2.92Å; D220-F400 HydrophobicContact CB-CZ 4.1Å; D220-E420 HydrophobicContact CB-CG 3.89Å; D220-E420 PolarHBondContact N-OE2 3.28Å
221	M	98.9	Very high	98.8	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.02	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-30	179.8	-62.2	-54.3	-65.1	0	0	111.9	L215 A216 V219 I224 Q225 I247 Y251 L253 L416	L215-M221 HydrophobicContact CB-CG 4.43Å; A216-M221 HydrophobicContact CB-CG 4.5Å; V219-M221 HydrophobicContact CB-SD 4.07Å; V219-M221 HydrophobicContact CG1-SD 3.86Å; V219-M221 PolarHBondContact O-N 3.36Å; M221-I224 PolarHBondContact O-N 3.3Å; M221-I224 HydrophobicContact SD-CD1 3.94Å; M221-Q225 WeakPolarHBondContact O-CB 3.34Å; M221-Q225 VanDerWaalsContact O-CG 3.25Å; M221-Q225 WeakPolarHBondContact O-CG 3.48Å; M221-Q225 PolarHBondContact O-N 3.01Å; M221-I247 HydrophobicContact CE-CG2 4.41Å; M221-Y251 HydrophobicContact CB-CD1 3.63Å; M221-Y251 HydrophobicContact CB-CE1 3.52Å; M221-Y251 HydrophobicContact CB-CG 4.39Å; M221-Y251 HydrophobicContact CE-CD1 3.97Å; M221-Y251 HydrophobicContact CE-CD2 3.48Å; M221-Y251 VanDerWaalsContact CE-CD2 3.48Å; M221-Y251 HydrophobicContact CE-CE1 4.28Å; M221-Y251 HydrophobicContact CE-CE2 3.82Å; M221-Y251 HydrophobicContact CE-CG 3.56Å; M221-Y251 HydrophobicContact CG-CD1 4.04Å; M221-Y251 HydrophobicContact CG-CE1 3.62Å; M221-Y251 HydrophobicContact CG-CE2 4.31Å; M221-L253 HydrophobicContact CE-CD1 4.05Å; M221-L416 HydrophobicContact CE-CD1 4.49Å; M221-L416 HydrophobicContact CE-CD2 4.12Å; M221-L416 HydrophobicContact SD-CD1 4.2Å; M221-L416 HydrophobicContact SD-CD2 4.34Å
222	A	98.8	Very high	98.8	Very high	59 Å²	59	39.7 Å²	39.7	49%	0.488	24%	0.238	S	C	.	.	H	α-helix	trans	-68.4	-40	177.4	0	0	0	0	0	112.1	D220 K226	D220-A222 PolarHBondContact O-N 2.91Å; D220-A222 PolarHBondContact OD1-N 3.38Å; A222-K226 WeakPolarHBondContact O-CB 3.38Å; A222-K226 PolarHBondContact O-N 2.91Å
223	A	98.8	Very high	98.8	Very high	19 Å²	19	39.7 Å²	39.7	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-43.6	172.7	0	0	0	0	0	111.6	D220 K226 A227 A423 V424	D220-A223 HydrophobicContact CB-CB 4.06Å; D220-A223 VanDerWaalsContact CG-CB 3.43Å; D220-A223 PolarHBondContact O-N 2.85Å; D220-A223 WeakPolarHBondContact OD1-CB 3.4Å; D220-A223 PolarHBondContact OD1-N 3.19Å; A223-K226 PolarHBondContact O-N 3.05Å; A223-A227 WeakPolarHBondContact O-CB 3.46Å; A223-A227 PolarHBondContact O-N 3.19Å; A223-A423 HydrophobicContact CB-CB 4.42Å; A223-V424 HydrophobicContact CB-CG2 3.72Å
224	I	98.9	Very high	98.8	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-48.3	177.8	-61	168.7	0	0	0	110.7	V219 D220 M221 K226 A227 G228 L231 L253 A419 E420 A423	V219-I224 HydrophobicContact CG1-CD1 3.71Å; D220-I224 WeakPolarHBondContact O-CG1 3.47Å; D220-I224 PolarHBondContact O-N 2.92Å; M221-I224 PolarHBondContact O-N 3.3Å; M221-I224 HydrophobicContact SD-CD1 3.94Å; I224-K226 VanDerWaalsContact C-N 3.33Å; I224-K226 PolarHBondContact O-N 3.02Å; I224-A227 PolarHBondContact O-N 2.77Å; I224-G228 PolarHBondContact O-N 2.91Å; I224-L231 HydrophobicContact CG2-CD1 4.28Å; I224-L253 HydrophobicContact CG2-CD1 4.31Å; I224-L253 HydrophobicContact CG2-CD2 3.91Å; I224-A419 HydrophobicContact CD1-CB 3.91Å; I224-A419 HydrophobicContact CG1-CB 4.12Å; I224-A419 HydrophobicContact CG2-CB 4.15Å; I224-E420 HydrophobicContact CD1-CB 4.2Å; I224-E420 HydrophobicContact CG1-CB 4.32Å; I224-A423 HydrophobicContact CG1-CB 4.39Å
225	Q	98.7	Very high	98.8	Very high	87 Å²	87	35.6 Å²	35.6	41%	0.407	22%	0.216	S	C	.	.	H	α-helix	trans	-55.5	-48	175.5	-75.9	172.9	-43	0	0	111.9	M221 A227 G228 Y251 L253	M221-Q225 WeakPolarHBondContact O-CB 3.34Å; M221-Q225 VanDerWaalsContact O-CG 3.25Å; M221-Q225 WeakPolarHBondContact O-CG 3.48Å; M221-Q225 PolarHBondContact O-N 3.01Å; Q225-A227 VanDerWaalsContact C-N 3.34Å; Q225-A227 PolarHBondContact O-N 2.65Å; Q225-G228 PolarHBondContact O-N 3.18Å; Q225-Y251 VanDerWaalsContact CG-O 3.22Å; Q225-Y251 WeakPolarHBondContact CG-O 3.3Å; Q225-Y251 PolarHBondContact NE2-O 2.62Å; Q225-L253 HydrophobicContact CG-CD2 3.72Å
226	K	98.7	Very high	98.8	Very high	190 Å²	190	35.6 Å²	35.6	83%	0.826	22%	0.216	S	C	*	.	H	α-helix	trans	-66.2	-34.9	-177.3	-176.5	-179	175.9	-173.7	0	112.8	A222 A223 I224 G228	A222-K226 WeakPolarHBondContact O-CB 3.38Å; A222-K226 PolarHBondContact O-N 2.91Å; A223-K226 PolarHBondContact O-N 3.05Å; I224-K226 VanDerWaalsContact C-N 3.33Å; I224-K226 PolarHBondContact O-N 3.02Å; K226-G228 VanDerWaalsContact C-N 3.25Å; K226-G228 PolarHBondContact O-N 3.05Å
227	A	98.7	Very high	98.8	Very high	46 Å²	46	33.3 Å²	33.3	38%	0.38	20%	0.198	S	C	.	.	H	α-helix	trans	-68.8	-24.5	179.8	0	0	0	0	0	112.8	A223 I224 Q225 L229 A423	A223-A227 WeakPolarHBondContact O-CB 3.46Å; A223-A227 PolarHBondContact O-N 3.19Å; I224-A227 PolarHBondContact O-N 2.77Å; Q225-A227 VanDerWaalsContact C-N 3.34Å; Q225-A227 PolarHBondContact O-N 2.65Å; A227-L229 HydrophobicContact CB-CD2 4.25Å; A227-L229 HydrophobicContact CB-CG 3.94Å; A227-L229 PolarHBondContact O-N 3.14Å; A227-A423 HydrophobicContact CB-CB 3.51Å
228	G	98.6	Very high	98.8	Very high	52 Å²	52	29 Å²	29	54%	0.536	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	31.5	177.3	0	0	0	0	0	113.5	I224 Q225 K226	I224-G228 PolarHBondContact O-N 2.91Å; Q225-G228 PolarHBondContact O-N 3.18Å; K226-G228 VanDerWaalsContact C-N 3.25Å; K226-G228 PolarHBondContact O-N 3.05Å
229	L	98.8	Very high	98.8	Very high	24 Å²	24	29.1 Å²	29.1	13%	0.126	18%	0.175	C	C	.	.			trans	-59.4	144	179.7	-59.4	176.4	0	0	0	111.1	A227 L231 D298 T422 A423	A227-L229 HydrophobicContact CB-CD2 4.25Å; A227-L229 HydrophobicContact CB-CG 3.94Å; A227-L229 PolarHBondContact O-N 3.14Å; L229-L231 HydrophobicContact CB-CD2 3.82Å; L229-L231 HydrophobicContact CB-CG 4.1Å; L229-L231 HydrophobicContact CD1-CD2 4.25Å; L229-L231 PolarHBondContact O-N 3.34Å; L229-D298 HydrophobicContact CD2-CB 4.39Å; L229-T422 HydrophobicContact CD1-CG2 3.9Å; L229-T422 HydrophobicContact CD2-CG2 3.96Å; L229-A423 HydrophobicContact CD1-CB 4.31Å
230	T	98.9	Very high	98.8	Very high	47 Å²	47	29.1 Å²	29.1	29%	0.288	18%	0.175	S	C	.	.			trans	-87.8	101.2	170.2	-53.1	0	0	0	0	108.9	N254 F297 D298	T230-N254 PolarHBondContact OG1-ND2 2.99Å; T230-F297 HydrophobicContact CG2-CD1 4.15Å; T230-F297 WeakPolarHBondContact O-CA 3.1Å; T230-D298 PolarHBondContact N-OD2 2.97Å; T230-D298 PolarHBondContact O-N 2.73Å
231	L	99	Very high	98.8	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	140.1	-173.4	-57.5	175.5	0	0	0	111.5	I224 L229 L253 N254 L255 T256 L299 F301 A419	I224-L231 HydrophobicContact CG2-CD1 4.28Å; L229-L231 HydrophobicContact CB-CD2 3.82Å; L229-L231 HydrophobicContact CB-CG 4.1Å; L229-L231 HydrophobicContact CD1-CD2 4.25Å; L229-L231 PolarHBondContact O-N 3.34Å; L231-L253 HydrophobicContact CD1-CD1 4.44Å; L231-N254 PolarHBondContact N-O 3.46Å; L231-L255 HydrophobicContact CB-CB 4.22Å; L231-L255 HydrophobicContact CB-CD1 4.28Å; L231-L255 HydrophobicContact CB-CG 4.28Å; L231-L255 HydrophobicContact CD1-CD1 4.36Å; L231-L255 WeakPolarHBondContact O-CA 3.47Å; L231-T256 PolarHBondContact O-N 2.75Å; L231-L299 WeakPolarHBondContact CA-O 3.37Å; L231-L299 HydrophobicContact CD2-CB 4.01Å; L231-F301 HydrophobicContact CB-CZ 4.28Å; L231-F301 HydrophobicContact CD1-CZ 4.33Å; L231-F301 HydrophobicContact CD2-CE1 4.21Å; L231-F301 HydrophobicContact CD2-CZ 4.35Å; L231-A419 HydrophobicContact CD1-CB 4.35Å; L231-A419 HydrophobicContact CD2-CB 4.28Å
232	G	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.2	174.5	0	0	0	0	0	112.1	T256 F297 L299 A300 F301	G232-T256 CarbonylContact C-O 3.52Å; G232-T256 WeakPolarHBondContact CA-O 3.39Å; G232-F297 VanDerWaalsContact CA-CD1 3.5Å; G232-L299 PolarHBondContact N-O 3.17Å; G232-L299 VanDerWaalsContact N-O 3.09Å; G232-A300 CarbonylContact O-C 3.58Å; G232-A300 WeakPolarHBondContact O-CA 3.43Å; G232-A300 VanDerWaalsContact O-CB 3.31Å; G232-A300 WeakPolarHBondContact O-CB 3.35Å; G232-F301 PolarHBondContact O-N 3.39Å
233	V	98.9	Very high	98.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.2	174.2	-175.5	0	0	0	0	110.5	P235 W244 L255 T256 I257 V258 F301	V233-P235 HydrophobicContact CG1-CG 4.41Å; V233-P235 WeakPolarHBondContact O-CD 3.49Å; V233-W244 HydrophobicContact CG1-CB 4.48Å; V233-W244 HydrophobicContact CG1-CD2 4Å; V233-W244 HydrophobicContact CG1-CG 3.78Å; V233-W244 HydrophobicContact CG2-CD2 4.08Å; V233-W244 HydrophobicContact CG2-CE3 4.15Å; V233-W244 HydrophobicContact CG2-CG 4.45Å; V233-L255 HydrophobicContact CG2-CD1 3.81Å; V233-L255 HydrophobicContact CG2-CD2 3.91Å; V233-L255 HydrophobicContact CG2-CG 3.9Å; V233-T256 PolarHBondContact N-O 3.3Å; V233-I257 CarbonylContact O-C 3.48Å; V233-I257 WeakPolarHBondContact O-CA 3.36Å; V233-V258 WeakPolarHBondContact O-CG2 3.35Å; V233-V258 PolarHBondContact O-N 3.41Å; V233-F301 VanDerWaalsContact CA-O 3.32Å; V233-F301 WeakPolarHBondContact CA-O 3.19Å; V233-F301 HydrophobicContact CG2-CD2 3.56Å; V233-F301 HydrophobicContact CG2-CE2 3.34Å; V233-F301 HydrophobicContact CG2-CZ 4.29Å
234	D	98.8	Very high	98.8	Very high	15 Å²	15	26.7 Å²	26.7	8%	0.08	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	107.1	158.6	-165.6	-22.2	0	0	0	109	L236 V258 L290 F301 A302	D234-L236 HydrophobicContact CB-CD2 4.26Å; D234-L236 VanDerWaalsContact CG-CD2 3.49Å; D234-L236 PolarHBondContact O-N 2.97Å; D234-L236 VanDerWaalsContact O-N 3.16Å; D234-L236 WeakPolarHBondContact OD1-CD2 3.48Å; D234-L236 PolarHBondContact OD1-N 3.04Å; D234-V258 HydrophobicContact CB-CG2 3.74Å; D234-L290 HydrophobicContact CB-CB 4.1Å; D234-L290 HydrophobicContact CB-CD1 4.33Å; D234-L290 HydrophobicContact CB-CD2 4.05Å; D234-L290 HydrophobicContact CB-CG 4.39Å; D234-F301 PolarHBondContact N-O 3.06Å; D234-A302 HydrophobicContact CB-CB 4.25Å; D234-A302 VanDerWaalsContact O-CA 3.28Å; D234-A302 WeakPolarHBondContact O-CA 3.48Å; D234-A302 WeakPolarHBondContact O-CB 3.11Å
235	P	98.6	Very high	98.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.			trans	-66.5	-10.3	179	-21.2	34	0	0	0	114.2	V233 G237 G238 I241 I257 N259 Y307	V233-P235 HydrophobicContact CG1-CG 4.41Å; V233-P235 WeakPolarHBondContact O-CD 3.49Å; P235-G237 PolarHBondContact O-N 3.19Å; P235-G238 PolarHBondContact O-N 2.85Å; P235-I241 HydrophobicContact CB-CB 3.99Å; P235-I241 HydrophobicContact CB-CD1 4.36Å; P235-I241 HydrophobicContact CB-CG1 3.95Å; P235-I241 HydrophobicContact CG-CD1 4.42Å; P235-I241 HydrophobicContact CG-CG1 4.02Å; P235-I257 HydrophobicContact CG-CG1 4.39Å; P235-I257 HydrophobicContact CG-CG2 3.61Å; P235-N259 VanDerWaalsContact CD-O 3.22Å; P235-N259 WeakPolarHBondContact CD-O 3.36Å; P235-Y307 VanDerWaalsContact CA-OH 3.25Å; P235-Y307 WeakPolarHBondContact CA-OH 3.49Å; P235-Y307 VanDerWaalsContact CB-OH 3.31Å; P235-Y307 WeakPolarHBondContact CB-OH 3.16Å; P235-Y307 PolarHBondContact O-OH 2.84Å
236	L	98.6	Very high	98.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	30.7	-173.6	-58.6	-178.8	0	0	0	113.7	D234 G238 M269 C281 M287 A302 N303	D234-L236 HydrophobicContact CB-CD2 4.26Å; D234-L236 VanDerWaalsContact CG-CD2 3.49Å; D234-L236 PolarHBondContact O-N 2.97Å; D234-L236 VanDerWaalsContact O-N 3.16Å; D234-L236 WeakPolarHBondContact OD1-CD2 3.48Å; D234-L236 PolarHBondContact OD1-N 3.04Å; L236-G238 PolarHBondContact O-N 3.18Å; L236-M269 HydrophobicContact CB-SD 4.39Å; L236-M269 HydrophobicContact CD2-CE 4.17Å; L236-M269 HydrophobicContact CD2-SD 3.79Å; L236-C281 HydrophobicContact CD1-CB 4.11Å; L236-M287 HydrophobicContact CD1-SD 4.13Å; L236-A302 HydrophobicContact CD1-CB 3.98Å; L236-A302 HydrophobicContact CG-CB 4.09Å; L236-N303 WeakPolarHBondContact CD1-O 3.29Å
237	G	98.6	Very high	98.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	29.6	-174.3	0	0	0	0	0	114.3	T87 P235 Q261	T87-G237 VanDerWaalsContact CB-O 3.23Å; T87-G237 WeakPolarHBondContact CB-O 3.48Å; T87-G237 VanDerWaalsContact CG2-O 3.27Å; T87-G237 WeakPolarHBondContact CG2-O 3.33Å; T87-G237 PolarHBondContact OG1-O 3.5Å; P235-G237 PolarHBondContact O-N 3.19Å; G237-Q261 WeakPolarHBondContact CA-O 3.4Å
238	G	98.7	Very high	98.8	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.			trans	-91.4	-176.7	179.8	0	0	0	0	0	114.6	P235 L236 G240 I241	P235-G238 PolarHBondContact O-N 2.85Å; L236-G238 PolarHBondContact O-N 3.18Å; G238-G240 VanDerWaalsContact C-N 3.32Å; G238-G240 PolarHBondContact O-N 3.06Å; G238-I241 PolarHBondContact O-N 3.35Å
239	S	98.9	Very high	98.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.2	-168.9	58.3	0	0	0	0	116.1	F117 P119 P305	F117-S239 WeakPolarHBondContact CB-O 3.31Å; P119-S239 WeakPolarHBondContact CA-OG 3.4Å; S239-P305 WeakPolarHBondContact CB-O 3.24Å; S239-P305 PolarHBondContact N-O 3.34Å; S239-P305 PolarHBondContact OG-O 3.27Å
240	G	98.8	Very high	98.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	17.3	-178.2	0	0	0	0	0	115.4	G238 E242 Y243 W244 Y307	G238-G240 VanDerWaalsContact C-N 3.32Å; G238-G240 PolarHBondContact O-N 3.06Å; G240-E242 VanDerWaalsContact C-N 3.31Å; G240-E242 PolarHBondContact O-N 2.74Å; G240-Y243 WeakPolarHBondContact O-CA 3.3Å; G240-Y243 VanDerWaalsContact O-CB 3.31Å; G240-Y243 WeakPolarHBondContact O-CB 3.4Å; G240-Y243 PolarHBondContact O-N 2.66Å; G240-W244 PolarHBondContact O-N 3.49Å; G240-Y307 VanDerWaalsContact C-CE1 3.46Å; G240-Y307 VanDerWaalsContact C-CZ 3.47Å; G240-Y307 VanDerWaalsContact N-CD2 3.32Å; G240-Y307 VanDerWaalsContact N-CZ 3.33Å
241	I	98.8	Very high	98.8	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-55.1	-45.1	177.2	-174.4	172	0	0	0	112.5	P235 G238 Y243 W244 K245 D260 V262 Y307	P235-I241 HydrophobicContact CB-CB 3.99Å; P235-I241 HydrophobicContact CB-CD1 4.36Å; P235-I241 HydrophobicContact CB-CG1 3.95Å; P235-I241 HydrophobicContact CG-CD1 4.42Å; P235-I241 HydrophobicContact CG-CG1 4.02Å; G238-I241 PolarHBondContact O-N 3.35Å; I241-Y243 VanDerWaalsContact C-N 3.28Å; I241-Y243 PolarHBondContact O-N 3.01Å; I241-W244 PolarHBondContact O-N 2.88Å; I241-K245 PolarHBondContact O-N 2.88Å; I241-K245 VanDerWaalsContact O-N 3.15Å; I241-D260 HydrophobicContact CD1-CB 4.38Å; I241-D260 WeakPolarHBondContact CD1-O 3.29Å; I241-V262 HydrophobicContact CD1-CG2 3.96Å; I241-V262 HydrophobicContact CG2-CG2 4.11Å; I241-Y307 PolarHBondContact N-OH 2.71Å
242	E	98.8	Very high	98.8	Very high	88 Å²	88	32.5 Å²	32.5	41%	0.411	15%	0.152	S	C	.	.	H	α-helix	trans	-71.1	-25.5	177.3	-63.2	-52.9	125.5	0	0	112.3	G240 K245 R246	G240-E242 VanDerWaalsContact C-N 3.31Å; G240-E242 PolarHBondContact O-N 2.74Å; E242-K245 WeakPolarHBondContact OE1-CE 3.12Å; E242-K245 IonicContact OE1-NZ 2.94Å; E242-K245 PolarHBondContact OE1-NZ 2.87Å; E242-K245 WeakPolarHBondContact OE2-CD 3.35Å; E242-K245 IonicContact OE2-NZ 3.35Å; E242-R246 VanDerWaalsContact O-CB 3.29Å; E242-R246 WeakPolarHBondContact O-CB 3.34Å; E242-R246 PolarHBondContact O-N 3.38Å
243	Y	98.9	Very high	98.8	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-45.6	173.6	-70.3	-114.1	0	0	0	109.8	P119 A122 V208 F211 V212 G240 I241 K245 R246 I247 I412	P119-Y243 VanDerWaalsContact CD-CZ 3.5Å; P119-Y243 HydrophobicContact CG-CD1 4.44Å; P119-Y243 HydrophobicContact CG-CD2 3.97Å; P119-Y243 HydrophobicContact CG-CE1 4.35Å; P119-Y243 HydrophobicContact CG-CE2 3.87Å; P119-Y243 HydrophobicContact CG-CG 4.28Å; A122-Y243 HydrophobicContact CB-CE1 3.77Å; A122-Y243 WeakPolarHBondContact CB-OH 3.41Å; V208-Y243 HydrophobicContact CB-CE2 4.39Å; V208-Y243 HydrophobicContact CG1-CD1 4.27Å; V208-Y243 HydrophobicContact CG1-CD2 4.21Å; V208-Y243 HydrophobicContact CG1-CE1 4.47Å; V208-Y243 HydrophobicContact CG1-CE2 4.4Å; V208-Y243 HydrophobicContact CG1-CG 4.12Å; V208-Y243 HydrophobicContact CG2-CD2 4.15Å; V208-Y243 HydrophobicContact CG2-CE2 3.67Å; F211-Y243 HydrophobicContact CB-CD1 4.4Å; F211-Y243 HydrophobicContact CB-CE1 3.84Å; F211-Y243 AromaticContact CD1-CD1 3.61Å; F211-Y243 HydrophobicContact CD1-CD1 3.61Å; F211-Y243 AromaticContact CD1-CE1 3.79Å; F211-Y243 HydrophobicContact CD1-CE1 3.79Å; F211-Y243 HydrophobicContact CD2-CE1 4.47Å; F211-Y243 HydrophobicContact CE1-CD1 4.1Å; F211-Y243 HydrophobicContact CE1-CE1 4.47Å; F211-Y243 HydrophobicContact CG-CD1 4.11Å; F211-Y243 AromaticContact CG-CE1 3.79Å; F211-Y243 HydrophobicContact CG-CE1 3.79Å; V212-Y243 HydrophobicContact CG2-CD1 4.46Å; G240-Y243 WeakPolarHBondContact O-CA 3.3Å; G240-Y243 VanDerWaalsContact O-CB 3.31Å; G240-Y243 WeakPolarHBondContact O-CB 3.4Å; G240-Y243 PolarHBondContact O-N 2.66Å; I241-Y243 VanDerWaalsContact C-N 3.28Å; I241-Y243 PolarHBondContact O-N 3.01Å; Y243-K245 PolarHBondContact O-N 3.13Å; Y243-R246 PolarHBondContact O-N 3.02Å; Y243-I247 WeakPolarHBondContact O-CB 3.48Å; Y243-I247 WeakPolarHBondContact O-CD1 3.45Å; Y243-I247 WeakPolarHBondContact O-CG1 3.38Å; Y243-I247 PolarHBondContact O-N 3.49Å; Y243-I412 HydrophobicContact CD1-CD1 4.22Å; Y243-I412 HydrophobicContact CG-CD1 4.36Å
244	W	98.9	Very high	98.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-40.5	175.9	-77.8	123.8	0	0	0	113.1	V233 G240 I241 I247 G248 L255 I257 F301 N303 Y307 I412 C415 L416	V233-W244 HydrophobicContact CG1-CB 4.48Å; V233-W244 HydrophobicContact CG1-CD2 4Å; V233-W244 HydrophobicContact CG1-CG 3.78Å; V233-W244 HydrophobicContact CG2-CD2 4.08Å; V233-W244 HydrophobicContact CG2-CE3 4.15Å; V233-W244 HydrophobicContact CG2-CG 4.45Å; G240-W244 PolarHBondContact O-N 3.49Å; I241-W244 PolarHBondContact O-N 2.88Å; W244-I247 HydrophobicContact CD2-CD1 4.46Å; W244-I247 HydrophobicContact CE3-CB 4.4Å; W244-I247 HydrophobicContact CE3-CD1 3.88Å; W244-I247 HydrophobicContact CE3-CG2 4.32Å; W244-I247 HydrophobicContact CZ3-CD1 4.07Å; W244-I247 HydrophobicContact CZ3-CG2 4.33Å; W244-I247 PolarHBondContact O-N 2.81Å; W244-G248 PolarHBondContact O-N 2.81Å; W244-L255 HydrophobicContact CE3-CD1 3.9Å; W244-L255 HydrophobicContact CZ3-CD1 4.08Å; W244-I257 HydrophobicContact CB-CD1 4.26Å; W244-F301 HydrophobicContact CE3-CE2 4.27Å; W244-F301 AromaticContact CH2-CD2 3.62Å; W244-F301 HydrophobicContact CH2-CD2 3.62Å; W244-F301 AromaticContact CH2-CE2 3.38Å; W244-F301 HydrophobicContact CH2-CE2 3.38Å; W244-F301 HydrophobicContact CH2-CZ 4.43Å; W244-F301 AromaticContact CZ2-CD2 3.72Å; W244-F301 HydrophobicContact CZ2-CD2 3.72Å; W244-F301 AromaticContact CZ2-CE2 3.94Å; W244-F301 HydrophobicContact CZ2-CE2 3.94Å; W244-F301 HydrophobicContact CZ3-CD2 4.22Å; W244-F301 AromaticContact CZ3-CE2 3.56Å; W244-F301 HydrophobicContact CZ3-CE2 3.56Å; W244-F301 HydrophobicContact CZ3-CZ 4.49Å; W244-N303 WeakPolarHBondContact CZ2-OD1 3.28Å; W244-N303 PolarHBondContact NE1-OD1 2.88Å; W244-Y307 AromaticContact CD1-CE1 3.52Å; W244-Y307 AromaticContact NE1-CE1 3.4Å; W244-I412 HydrophobicContact CH2-CG2 4.32Å; W244-I412 HydrophobicContact CZ2-CG2 4.47Å; W244-C415 HydrophobicContact CH2-CB 3.68Å; W244-C415 HydrophobicContact CZ2-CB 3.76Å; W244-L416 HydrophobicContact CH2-CD2 4.22Å; W244-L416 HydrophobicContact CH2-CG 4.05Å; W244-L416 HydrophobicContact CZ3-CD2 3.87Å; W244-L416 HydrophobicContact CZ3-CG 4.12Å
245	K	98.7	Very high	98.8	Very high	78 Å²	78	38.1 Å²	38.1	34%	0.339	18%	0.182	S	C	.	.	H	α-helix	trans	-57.6	-51.1	172.7	-70.2	176.1	-175.2	169.2	0	110.7	I241 E242 Y243 I247 G248 E249 I257	I241-K245 PolarHBondContact O-N 2.88Å; I241-K245 VanDerWaalsContact O-N 3.15Å; E242-K245 WeakPolarHBondContact OE1-CE 3.12Å; E242-K245 IonicContact OE1-NZ 2.94Å; E242-K245 PolarHBondContact OE1-NZ 2.87Å; E242-K245 WeakPolarHBondContact OE2-CD 3.35Å; E242-K245 IonicContact OE2-NZ 3.35Å; Y243-K245 PolarHBondContact O-N 3.13Å; K245-I247 PolarHBondContact O-N 2.87Å; K245-G248 PolarHBondContact O-N 3.08Å; K245-E249 PolarHBondContact O-N 3.28Å; K245-I257 HydrophobicContact CB-CD1 4.37Å; K245-I257 HydrophobicContact CD-CD1 4.45Å; K245-I257 HydrophobicContact CG-CD1 3.36Å
246	R	98.8	Very high	98.8	Very high	72 Å²	72	41.2 Å²	41.2	27%	0.272	20%	0.201	S	C	.	.	H	α-helix	trans	-67.1	-35.4	-178.5	-171.1	63.6	62.8	72.9	7.3	112.6	D206 V208 Q209 V212 E242 Y243 E249 Y250	D206-R246 IonicContact OD2-NH1 3.22Å; V208-R246 HydrophobicContact CG1-CB 3.89Å; V208-R246 HydrophobicContact CG1-CG 4.11Å; Q209-R246 VanDerWaalsContact OE1-CD 3.29Å; V212-R246 HydrophobicContact CB-CG 4.2Å; V212-R246 HydrophobicContact CG1-CG 4.11Å; V212-R246 HydrophobicContact CG2-CB 4.13Å; V212-R246 HydrophobicContact CG2-CG 4.03Å; E242-R246 VanDerWaalsContact O-CB 3.29Å; E242-R246 WeakPolarHBondContact O-CB 3.34Å; E242-R246 PolarHBondContact O-N 3.38Å; Y243-R246 PolarHBondContact O-N 3.02Å; R246-E249 PolarHBondContact O-N 2.98Å; R246-Y250 WeakPolarHBondContact O-CB 3.39Å; R246-Y250 PolarHBondContact O-N 3.25Å
247	I	98.9	Very high	98.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-48.8	173.7	-72.3	161.2	0	0	0	110.3	V212 L215 M221 Y243 W244 K245 E249 Y251 L253 I412 L416	V212-I247 HydrophobicContact CB-CG1 4.46Å; V212-I247 HydrophobicContact CG1-CG1 3.9Å; V212-I247 HydrophobicContact CG2-CG1 3.85Å; L215-I247 HydrophobicContact CD1-CD1 3.75Å; L215-I247 HydrophobicContact CD1-CG1 3.71Å; M221-I247 HydrophobicContact CE-CG2 4.41Å; Y243-I247 WeakPolarHBondContact O-CB 3.48Å; Y243-I247 WeakPolarHBondContact O-CD1 3.45Å; Y243-I247 WeakPolarHBondContact O-CG1 3.38Å; Y243-I247 PolarHBondContact O-N 3.49Å; W244-I247 HydrophobicContact CD2-CD1 4.46Å; W244-I247 HydrophobicContact CE3-CB 4.4Å; W244-I247 HydrophobicContact CE3-CD1 3.88Å; W244-I247 HydrophobicContact CE3-CG2 4.32Å; W244-I247 HydrophobicContact CZ3-CD1 4.07Å; W244-I247 HydrophobicContact CZ3-CG2 4.33Å; W244-I247 PolarHBondContact O-N 2.81Å; K245-I247 PolarHBondContact O-N 2.87Å; I247-E249 VanDerWaalsContact C-N 3.33Å; I247-E249 PolarHBondContact O-N 2.83Å; I247-Y251 HydrophobicContact CG2-CD2 4.28Å; I247-Y251 WeakPolarHBondContact O-CB 3.21Å; I247-Y251 PolarHBondContact O-N 3.21Å; I247-Y251 VanDerWaalsContact O-N 3.11Å; I247-L253 HydrophobicContact CG2-CD1 4.08Å; I247-I412 HydrophobicContact CD1-CG2 3.77Å; I247-L416 HydrophobicContact CD1-CD1 4.39Å; I247-L416 HydrophobicContact CG2-CD2 4.27Å
248	G	98.7	Very high	98.8	Very high	13 Å²	13	45 Å²	45	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-58.7	-44	177.9	0	0	0	0	0	112.3	W244 K245 N252 L253	W244-G248 PolarHBondContact O-N 2.81Å; K245-G248 PolarHBondContact O-N 3.08Å; G248-N252 CarbonylContact O-C 3.48Å; G248-N252 VanDerWaalsContact O-CA 3.28Å; G248-N252 WeakPolarHBondContact O-CA 3.34Å; G248-N252 PolarHBondContact O-N 3.16Å; G248-N252 VanDerWaalsContact O-N 3.1Å; G248-L253 PolarHBondContact O-N 2.69Å
249	E	98.7	Very high	98.5	Very high	145 Å²	145	47 Å²	47	68%	0.678	23%	0.233	S	C	*	.	H	α-helix	trans	-68.9	-57.9	177.9	-176.9	-176.2	-178.9	0	0	112.7	K245 R246 I247 Y251 N252	K245-E249 PolarHBondContact O-N 3.28Å; R246-E249 PolarHBondContact O-N 2.98Å; I247-E249 VanDerWaalsContact C-N 3.33Å; I247-E249 PolarHBondContact O-N 2.83Å; E249-Y251 PolarHBondContact O-N 3.07Å; E249-N252 PolarHBondContact O-N 2.59Å
250	Y	98.8	Very high	98.5	Very high	111 Å²	111	51.5 Å²	51.5	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-63.2	-41.8	-171.8	-177.2	-97.5	0	0	0	112.2	V212 E213 R246	V212-Y250 HydrophobicContact CG1-CD1 4.21Å; V212-Y250 HydrophobicContact CG1-CG 4.28Å; E213-Y250 HydrophobicContact CG-CE1 4.12Å; E213-Y250 HydrophobicContact CG-CE2 3.84Å; R246-Y250 WeakPolarHBondContact O-CB 3.39Å; R246-Y250 PolarHBondContact O-N 3.25Å
251	Y	98.8	Very high	98.5	Very high	11 Å²	11	55.6 Å²	55.6	4%	0.043	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	2.8	176.6	-65.5	-77.1	0	0	0	113	V212 E213 L215 A216 M221 Q225 I247 E249 L253	V212-Y251 HydrophobicContact CG1-CD2 4.31Å; V212-Y251 HydrophobicContact CG1-CE2 3.84Å; V212-Y251 VanDerWaalsContact O-CE2 3.25Å; V212-Y251 WeakPolarHBondContact O-CE2 3.49Å; V212-Y251 PolarHBondContact O-OH 3.46Å; E213-Y251 PolarHBondContact O-OH 2.82Å; L215-Y251 HydrophobicContact CB-CE2 4.27Å; L215-Y251 HydrophobicContact CD1-CE2 4.38Å; A216-Y251 HydrophobicContact CB-CE1 4.3Å; A216-Y251 PolarHBondContact N-OH 3.04Å; M221-Y251 HydrophobicContact CB-CD1 3.63Å; M221-Y251 HydrophobicContact CB-CE1 3.52Å; M221-Y251 HydrophobicContact CB-CG 4.39Å; M221-Y251 HydrophobicContact CE-CD1 3.97Å; M221-Y251 HydrophobicContact CE-CD2 3.48Å; M221-Y251 VanDerWaalsContact CE-CD2 3.48Å; M221-Y251 HydrophobicContact CE-CE1 4.28Å; M221-Y251 HydrophobicContact CE-CE2 3.82Å; M221-Y251 HydrophobicContact CE-CG 3.56Å; M221-Y251 HydrophobicContact CG-CD1 4.04Å; M221-Y251 HydrophobicContact CG-CE1 3.62Å; M221-Y251 HydrophobicContact CG-CE2 4.31Å; Q225-Y251 VanDerWaalsContact CG-O 3.22Å; Q225-Y251 WeakPolarHBondContact CG-O 3.3Å; Q225-Y251 PolarHBondContact NE2-O 2.62Å; I247-Y251 HydrophobicContact CG2-CD2 4.28Å; I247-Y251 WeakPolarHBondContact O-CB 3.21Å; I247-Y251 PolarHBondContact O-N 3.21Å; I247-Y251 VanDerWaalsContact O-N 3.11Å; E249-Y251 PolarHBondContact O-N 3.07Å; Y251-L253 VanDerWaalsContact C-N 3.3Å; Y251-L253 PolarHBondContact O-N 2.88Å
252	N	98.6	Very high	98.5	Very high	143 Å²	143	58.7 Å²	58.7	77%	0.765	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	50.5	-179.8	-173.5	52.1	0	0	0	112.7	G248 E249	G248-N252 CarbonylContact O-C 3.48Å; G248-N252 VanDerWaalsContact O-CA 3.28Å; G248-N252 WeakPolarHBondContact O-CA 3.34Å; G248-N252 PolarHBondContact O-N 3.16Å; G248-N252 VanDerWaalsContact O-N 3.1Å; E249-N252 PolarHBondContact O-N 2.59Å
253	L	98.8	Very high	98.5	Very high	20 Å²	20	56 Å²	56	11%	0.105	28%	0.283	C	S	.	.			trans	-89.5	145.9	-179.8	-56.9	-177.7	0	0	0	110.4	M221 I224 Q225 L231 I247 G248 Y251 L255	M221-L253 HydrophobicContact CE-CD1 4.05Å; I224-L253 HydrophobicContact CG2-CD1 4.31Å; I224-L253 HydrophobicContact CG2-CD2 3.91Å; Q225-L253 HydrophobicContact CG-CD2 3.72Å; L231-L253 HydrophobicContact CD1-CD1 4.44Å; I247-L253 HydrophobicContact CG2-CD1 4.08Å; G248-L253 PolarHBondContact O-N 2.69Å; Y251-L253 VanDerWaalsContact C-N 3.3Å; Y251-L253 PolarHBondContact O-N 2.88Å; L253-L255 HydrophobicContact CB-CB 4.06Å; L253-L255 PolarHBondContact O-N 2.81Å
254	N	98.8	Very high	98.5	Very high	87 Å²	87	58.8 Å²	58.8	47%	0.465	30%	0.296	S	S	.	.			trans	-75.1	68.8	165.8	-178.2	21.8	0	0	0	109.7	T230 L231	T230-N254 PolarHBondContact OG1-ND2 2.99Å; L231-N254 PolarHBondContact N-O 3.46Å
255	L	98.8	Very high	98.5	Very high	25 Å²	25	59.2 Å²	59.2	13%	0.131	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.8	-175.9	-176.5	142.9	0	0	0	109.8	L231 V233 W244 L253 I257 F301	L231-L255 HydrophobicContact CB-CB 4.22Å; L231-L255 HydrophobicContact CB-CD1 4.28Å; L231-L255 HydrophobicContact CB-CG 4.28Å; L231-L255 HydrophobicContact CD1-CD1 4.36Å; L231-L255 WeakPolarHBondContact O-CA 3.47Å; V233-L255 HydrophobicContact CG2-CD1 3.81Å; V233-L255 HydrophobicContact CG2-CD2 3.91Å; V233-L255 HydrophobicContact CG2-CG 3.9Å; W244-L255 HydrophobicContact CE3-CD1 3.9Å; W244-L255 HydrophobicContact CZ3-CD1 4.08Å; L253-L255 HydrophobicContact CB-CB 4.06Å; L253-L255 PolarHBondContact O-N 2.81Å; L255-I257 HydrophobicContact CD2-CG1 4.37Å; L255-F301 HydrophobicContact CD1-CE2 4.21Å; L255-F301 HydrophobicContact CD1-CZ 4.4Å
256	T	98.9	Very high	98.5	Very high	66 Å²	66	55.5 Å²	55.5	41%	0.405	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.7	-180	-59.1	0	0	0	0	110.4	L231 G232 V233 V258	L231-T256 PolarHBondContact O-N 2.75Å; G232-T256 CarbonylContact C-O 3.52Å; G232-T256 WeakPolarHBondContact CA-O 3.39Å; V233-T256 PolarHBondContact N-O 3.3Å; T256-V258 PolarHBondContact O-N 2.67Å
257	I	98.7	Very high	98.5	Very high	39 Å²	39	57.7 Å²	57.7	20%	0.2	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	115.7	165.3	-68.8	175.1	0	0	0	107.9	V233 P235 W244 K245 L255 N259 D260	V233-I257 CarbonylContact O-C 3.48Å; V233-I257 WeakPolarHBondContact O-CA 3.36Å; P235-I257 HydrophobicContact CG-CG1 4.39Å; P235-I257 HydrophobicContact CG-CG2 3.61Å; W244-I257 HydrophobicContact CB-CD1 4.26Å; K245-I257 HydrophobicContact CB-CD1 4.37Å; K245-I257 HydrophobicContact CD-CD1 4.45Å; K245-I257 HydrophobicContact CG-CD1 3.36Å; L255-I257 HydrophobicContact CD2-CG1 4.37Å; I257-N259 VanDerWaalsContact C-N 3.27Å; I257-N259 WeakPolarHBondContact CG2-O 3.5Å; I257-N259 PolarHBondContact O-N 3.43Å; I257-D260 HydrophobicContact CG2-CB 4.22Å
258	V	98.5	Very high	98.5	Very high	43 Å²	43	59.6 Å²	59.6	26%	0.261	30%	0.299	S	S	.	.	S	Bend	trans	-75.6	-20	-175.3	-56.3	0	0	0	0	112.9	V233 D234 T256 L290 L293 F297	V233-V258 WeakPolarHBondContact O-CG2 3.35Å; V233-V258 PolarHBondContact O-N 3.41Å; D234-V258 HydrophobicContact CB-CG2 3.74Å; T256-V258 PolarHBondContact O-N 2.67Å; V258-L290 HydrophobicContact CG1-CD1 3.97Å; V258-L290 HydrophobicContact CG2-CD1 4.04Å; V258-L293 HydrophobicContact CB-CD1 3.85Å; V258-L293 HydrophobicContact CG1-CD1 3.92Å; V258-L293 HydrophobicContact CG2-CD1 4.4Å; V258-F297 HydrophobicContact CG1-CE2 3.81Å; V258-F297 HydrophobicContact CG1-CZ 3.65Å
259	N	93.7	Very high	98.5	Very high	40 Å²	40	59.2 Å²	59.2	21%	0.214	29%	0.294	C	S	.	.			trans	-155.8	122.4	179.4	-177.1	28.7	0	0	0	109.8	P235 I257 Q261 F268	P235-N259 VanDerWaalsContact CD-O 3.22Å; P235-N259 WeakPolarHBondContact CD-O 3.36Å; I257-N259 VanDerWaalsContact C-N 3.27Å; I257-N259 WeakPolarHBondContact CG2-O 3.5Å; I257-N259 PolarHBondContact O-N 3.43Å; N259-Q261 WeakPolarHBondContact OD1-CG 3.38Å; N259-Q261 PolarHBondContact OD1-N 3.44Å; N259-F268 VanDerWaalsContact ND2-CD2 3.33Å; N259-F268 WeakPolarHBondContact ND2-CD2 3.32Å; N259-F268 WeakPolarHBondContact ND2-CG 3.26Å
260	D	97.6	Very high	98.5	Very high	98 Å²	98	54.4 Å²	54.4	52%	0.524	27%	0.271	S	S	.	.			trans	-103.1	16.4	-177.3	68.6	-20.7	0	0	0	113.5	I241 I257	I241-D260 HydrophobicContact CD1-CB 4.38Å; I241-D260 WeakPolarHBondContact CD1-O 3.29Å; I257-D260 HydrophobicContact CG2-CB 4.22Å
261	Q	98.7	Very high	98.5	Very high	86 Å²	86	49.1 Å²	49.1	40%	0.402	25%	0.251	S	S	.	.			trans	-67.6	132.9	-177.8	-64.8	-72.6	-53.1	0	0	111.8	G237 N259 F268	G237-Q261 WeakPolarHBondContact CA-O 3.4Å; N259-Q261 WeakPolarHBondContact OD1-CG 3.38Å; N259-Q261 PolarHBondContact OD1-N 3.44Å; Q261-F268 HydrophobicContact CB-CB 4.46Å; Q261-F268 HydrophobicContact CB-CD1 3.42Å; Q261-F268 VanDerWaalsContact CB-CD1 3.42Å; Q261-F268 HydrophobicContact CB-CE1 3.82Å; Q261-F268 HydrophobicContact CB-CG 3.96Å; Q261-F268 HydrophobicContact CG-CB 4.4Å; Q261-F268 HydrophobicContact CG-CD1 4.19Å; Q261-F268 HydrophobicContact CG-CG 4.43Å
262	V	98.7	Very high	98.4	Very high	67 Å²	67	48.6 Å²	48.6	41%	0.406	25%	0.249	S	C	.	.			trans	-120.2	108.4	160.8	-179.4	0	0	0	0	106.3	T87 F117 I241	T87-V262 HydrophobicContact CG2-CG1 4.13Å; F117-V262 HydrophobicContact CE2-CG1 3.96Å; F117-V262 HydrophobicContact CZ-CG1 4.07Å; I241-V262 HydrophobicContact CD1-CG2 3.96Å; I241-V262 HydrophobicContact CG2-CG2 4.11Å
263	D	98.8	Very high	98.2	Very high	31 Å²	31	46.4 Å²	46.4	17%	0.166	23%	0.233	C	C	.	.			trans	-139.8	122	-179.2	-173	-24.6	0	0	0	108.5	T265 F266 R267 F268	D263-T265 PolarHBondContact O-N 3.48Å; D263-T265 VanDerWaalsContact O-N 3.16Å; D263-T265 PolarHBondContact OD1-N 3Å; D263-T265 PolarHBondContact OD1-OG1 3.09Å; D263-T265 VanDerWaalsContact OD1-OG1 3.12Å; D263-F266 WeakPolarHBondContact O-CA 3.36Å; D263-F266 PolarHBondContact O-N 2.98Å; D263-R267 WeakPolarHBondContact OD2-CD 3.27Å; D263-R267 WeakPolarHBondContact OD2-CG 3.48Å; D263-R267 IonicContact OD2-CZ 2.69Å; D263-R267 IonicContact OD2-NE 3.85Å; D263-R267 PolarHBondContact OD2-NE 2.81Å; D263-R267 IonicContact OD2-NH2 3.87Å; D263-R267 PolarHBondContact OD2-NH2 2.97Å; D263-F268 HydrophobicContact CB-CD1 4.29Å; D263-F268 HydrophobicContact CB-CE1 4.11Å
264	Q	98.8	Very high	97.9	Very high	59 Å²	59	49.1 Å²	49.1	28%	0.276	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.5	-179.2	-73.8	174.5	-33.2	0	0	113.5	V19 A89	V19-Q264 HydrophobicContact CG1-CB 4.1Å; V19-Q264 VanDerWaalsContact CG1-OE1 3.31Å; V19-Q264 HydrophobicContact CG2-CB 3.88Å; A89-Q264 HydrophobicContact CB-CB 4.21Å; A89-Q264 HydrophobicContact CB-CG 4.5Å
265	T	98.8	Very high	97.9	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.5	167.2	77.5	0	0	0	0	113.1	I17 V19 D263 R267	I17-T265 HydrophobicContact CG1-CG2 4.4Å; V19-T265 HydrophobicContact CG2-CG2 3.64Å; D263-T265 PolarHBondContact O-N 3.48Å; D263-T265 VanDerWaalsContact O-N 3.16Å; D263-T265 PolarHBondContact OD1-N 3Å; D263-T265 PolarHBondContact OD1-OG1 3.09Å; D263-T265 VanDerWaalsContact OD1-OG1 3.12Å; T265-R267 PolarHBondContact O-N 3.33Å; T265-R267 WeakPolarHBondContact OG1-CB 3.39Å; T265-R267 PolarHBondContact OG1-N 3.4Å
266	F	98.8	Very high	97.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.			trans	52.1	36.6	-174	-64.7	-92.8	0	0	0	113.6	P150 D263 F268 M269 I277 M279	P150-F266 HydrophobicContact CB-CD2 3.96Å; P150-F266 HydrophobicContact CG-CB 4.17Å; P150-F266 HydrophobicContact CG-CD2 3.8Å; P150-F266 HydrophobicContact CG-CG 4.38Å; D263-F266 WeakPolarHBondContact O-CA 3.36Å; D263-F266 PolarHBondContact O-N 2.98Å; F266-F268 HydrophobicContact CB-CZ 4.48Å; F266-F268 HydrophobicContact CD1-CE1 4.38Å; F266-F268 AromaticContact CD1-CZ 3.76Å; F266-F268 HydrophobicContact CD1-CZ 3.76Å; F266-F268 PolarHBondContact O-N 2.83Å; F266-M269 HydrophobicContact CB-CG 3.97Å; F266-M269 VanDerWaalsContact O-CB 3.3Å; F266-M269 WeakPolarHBondContact O-CB 3.26Å; F266-M269 WeakPolarHBondContact O-CG 3.49Å; F266-M269 PolarHBondContact O-N 2.87Å; F266-I277 HydrophobicContact CB-CG2 3.74Å; F266-M279 HydrophobicContact CB-SD 3.94Å; F266-M279 HydrophobicContact CD1-CE 3.89Å; F266-M279 HydrophobicContact CD1-CG 3.52Å; F266-M279 HydrophobicContact CD1-SD 3.47Å; F266-M279 WeakPolarHBondContact CD1-SD 3.47Å; F266-M279 HydrophobicContact CD2-CE 3.93Å; F266-M279 HydrophobicContact CD2-SD 4.07Å; F266-M279 HydrophobicContact CE1-CE 3.74Å; F266-M279 HydrophobicContact CE1-CG 3.76Å; F266-M279 HydrophobicContact CE1-SD 3.92Å; F266-M279 HydrophobicContact CE2-CE 3.76Å; F266-M279 HydrophobicContact CE2-SD 4.44Å; F266-M279 HydrophobicContact CG-CE 3.98Å; F266-M279 HydrophobicContact CG-CG 4.24Å; F266-M279 HydrophobicContact CG-SD 3.55Å; F266-M279 VanDerWaalsContact CG-SD 3.55Å; F266-M279 HydrophobicContact CZ-CE 3.67Å; F266-M279 HydrophobicContact CZ-SD 4.38Å
267	R	98.8	Very high	97.7	Very high	119 Å²	119	43.1 Å²	43.1	45%	0.449	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.3	-171.6	74.9	179.5	70.4	-159.6	1.8	115.1	L16 D263 T265	L16-R267 HydrophobicContact CD1-CB 3.81Å; L16-R267 HydrophobicContact CD2-CB 3.85Å; D263-R267 WeakPolarHBondContact OD2-CD 3.27Å; D263-R267 WeakPolarHBondContact OD2-CG 3.48Å; D263-R267 IonicContact OD2-CZ 2.69Å; D263-R267 IonicContact OD2-NE 3.85Å; D263-R267 PolarHBondContact OD2-NE 2.81Å; D263-R267 IonicContact OD2-NH2 3.87Å; D263-R267 PolarHBondContact OD2-NH2 2.97Å; T265-R267 PolarHBondContact O-N 3.33Å; T265-R267 WeakPolarHBondContact OG1-CB 3.39Å; T265-R267 PolarHBondContact OG1-N 3.4Å
268	F	98.7	Very high	97.7	Very high	40 Å²	40	43.6 Å²	43.6	18%	0.175	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13	179.2	55.2	-96.5	0	0	0	112.4	N259 Q261 D263 F266	N259-F268 VanDerWaalsContact ND2-CD2 3.33Å; N259-F268 WeakPolarHBondContact ND2-CD2 3.32Å; N259-F268 WeakPolarHBondContact ND2-CG 3.26Å; Q261-F268 HydrophobicContact CB-CB 4.46Å; Q261-F268 HydrophobicContact CB-CD1 3.42Å; Q261-F268 VanDerWaalsContact CB-CD1 3.42Å; Q261-F268 HydrophobicContact CB-CE1 3.82Å; Q261-F268 HydrophobicContact CB-CG 3.96Å; Q261-F268 HydrophobicContact CG-CB 4.4Å; Q261-F268 HydrophobicContact CG-CD1 4.19Å; Q261-F268 HydrophobicContact CG-CG 4.43Å; D263-F268 HydrophobicContact CB-CD1 4.29Å; D263-F268 HydrophobicContact CB-CE1 4.11Å; F266-F268 HydrophobicContact CB-CZ 4.48Å; F266-F268 HydrophobicContact CD1-CE1 4.38Å; F266-F268 AromaticContact CD1-CZ 3.76Å; F266-F268 HydrophobicContact CD1-CZ 3.76Å; F266-F268 PolarHBondContact O-N 2.83Å
269	M	98.8	Very high	97.7	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.02	21%	0.207	C	C	.	.	S	Bend	trans	-66.8	148.4	-178.9	-72.7	-62.2	-61.3	0	0	112.2	A11 L236 F266 I277 R278 M279 A286	A11-M269 PolarHBondContact N-O 2.95Å; L236-M269 HydrophobicContact CB-SD 4.39Å; L236-M269 HydrophobicContact CD2-CE 4.17Å; L236-M269 HydrophobicContact CD2-SD 3.79Å; F266-M269 HydrophobicContact CB-CG 3.97Å; F266-M269 VanDerWaalsContact O-CB 3.3Å; F266-M269 WeakPolarHBondContact O-CB 3.26Å; F266-M269 WeakPolarHBondContact O-CG 3.49Å; F266-M269 PolarHBondContact O-N 2.87Å; M269-I277 HydrophobicContact CB-CG2 3.94Å; M269-I277 HydrophobicContact CG-CG2 4.06Å; M269-R278 WeakPolarHBondContact CE-O 3.48Å; M269-M279 HydrophobicContact CE-CG 4.29Å; M269-M279 HydrophobicContact CG-CG 4.22Å; M269-M279 HydrophobicContact CG-SD 4.38Å; M269-M279 HydrophobicContact SD-CG 4.04Å; M269-A286 HydrophobicContact CE-CB 3.94Å
270	H	98.8	Very high	97.9	Very high	44 Å²	44	40.3 Å²	40.3	20%	0.204	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-83.2	145.8	157.6	-65.2	68.9	0	0	0	108.8	G8 Q9 C285 A288	G8-H270 PolarHBondContact O-CD2 2.93Å; G8-H270 VanDerWaalsContact O-CD2 3.27Å; Q9-H270 CarbonylContact O-C 3.59Å; Q9-H270 VanDerWaalsContact O-CA 3.31Å; Q9-H270 WeakPolarHBondContact O-CA 3.44Å; H270-C285 WeakPolarHBondContact CB-O 3.48Å; H270-A288 HydrophobicContact CB-CB 4.03Å
271	L	98.6	Very high	98	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-69.4	141.3	-178.1	-60.3	-178.8	0	0	0	111.4	R6 G8 Q9 A11 I277 C285	R6-L271 HydrophobicContact CB-CD1 3.96Å; R6-L271 VanDerWaalsContact CZ-CD1 3.43Å; R6-L271 VanDerWaalsContact NH1-CD1 3.32Å; G8-L271 PolarHBondContact N-O 3.34Å; Q9-L271 PolarHBondContact O-N 2.79Å; A11-L271 HydrophobicContact CB-CD2 4.06Å; L271-I277 HydrophobicContact CD2-CG1 3.65Å; L271-C285 WeakPolarHBondContact O-CB 3.5Å
272	D	97.6	Very high	97.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.167	C	C	.	.			trans	-72.8	175.5	176.8	-164.5	11.8	0	0	0	111.3	D274 G275 A276 R278 S283	D272-D274 PolarHBondContact O-N 2.81Å; D272-G275 WeakPolarHBondContact O-CA 3.45Å; D272-G275 PolarHBondContact O-N 2.77Å; D272-A276 PolarHBondContact N-O 2.98Å; D272-R278 HydrophobicContact CB-CB 3.89Å; D272-R278 WeakPolarHBondContact OD2-CD 3.23Å; D272-R278 IonicContact OD2-CZ 2.66Å; D272-R278 IonicContact OD2-NH1 3.39Å; D272-R278 PolarHBondContact OD2-NH1 3.17Å; D272-S283 WeakPolarHBondContact OD1-CB 3.35Å; D272-S283 PolarHBondContact OD1-OG 3.49Å
273	K	94	Very high	97.8	Very high	97 Å²	97	30.5 Å²	30.5	42%	0.422	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.7	-176.1	65.2	-165.4	167.9	-152.8	0	115.1	H4	H4-K273 WeakPolarHBondContact CB-O 3.49Å; H4-K273 PolarHBondContact N-O 3.12Å
274	D	94	Very high	97.7	Very high	76 Å²	76	35.3 Å²	35.3	41%	0.406	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	0.4	176.9	62.4	-10.2	0	0	0	113.3	H4 D272 A276 R278	H4-D274 VanDerWaalsContact CB-C 3.41Å; D272-D274 PolarHBondContact O-N 2.81Å; D274-A276 VanDerWaalsContact C-N 3.33Å; D274-A276 WeakPolarHBondContact OD1-CB 3.17Å; D274-A276 PolarHBondContact OD1-N 3.24Å; D274-R278 VanDerWaalsContact CG-NH1 3.27Å; D274-R278 IonicContact OD1-CZ 3.25Å; D274-R278 IonicContact OD1-NH1 2.66Å; D274-R278 PolarHBondContact OD1-NH1 3.49Å; D274-R278 IonicContact OD1-NH2 3.28Å; D274-R278 IonicContact OD2-CZ 2.76Å; D274-R278 IonicContact OD2-NH1 3.32Å; D274-R278 PolarHBondContact OD2-NH1 2.81Å; D274-R278 IonicContact OD2-NH2 3.73Å; D274-R278 PolarHBondContact OD2-NH2 2.95Å
275	G	97	Very high	97.6	Very high	13 Å²	13	33.9 Å²	33.9	13%	0.134	17%	0.169	C	C	.	.	S	Bend	trans	85.6	0.2	-179.7	0	0	0	0	0	114.5	H4 D272	H4-G275 WeakPolarHBondContact ND1-CA 3.26Å; D272-G275 WeakPolarHBondContact O-CA 3.45Å; D272-G275 PolarHBondContact O-N 2.77Å
276	A	96.6	Very high	97.6	Very high	30 Å²	30	33.6 Å²	33.6	25%	0.248	17%	0.168	C	C	.	.	S	Bend	trans	-79.3	156.7	174.2	0	0	0	0	0	111.5	D272 D274 R278	D272-A276 PolarHBondContact N-O 2.98Å; D274-A276 VanDerWaalsContact C-N 3.33Å; D274-A276 WeakPolarHBondContact OD1-CB 3.17Å; D274-A276 PolarHBondContact OD1-N 3.24Å; A276-R278 PolarHBondContact O-N 3.29Å
277	I	98.7	Very high	97.6	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.051	17%	0.168	C	C	.	.			trans	-77.5	112.1	163	-62.1	174.1	0	0	0	106.8	A11 D15 L16 P149 P150 F266 M269 L271 M279	A11-I277 HydrophobicContact CB-CD1 3.85Å; A11-I277 HydrophobicContact CB-CG1 4.17Å; D15-I277 HydrophobicContact CB-CD1 4.25Å; L16-I277 HydrophobicContact CD2-CD1 3.76Å; P149-I277 WeakPolarHBondContact CA-O 3.43Å; P150-I277 WeakPolarHBondContact CD-O 3.15Å; P150-I277 HydrophobicContact CG-CB 4.05Å; P150-I277 HydrophobicContact CG-CG2 3.78Å; F266-I277 HydrophobicContact CB-CG2 3.74Å; M269-I277 HydrophobicContact CB-CG2 3.94Å; M269-I277 HydrophobicContact CG-CG2 4.06Å; L271-I277 HydrophobicContact CD2-CG1 3.65Å; I277-M279 HydrophobicContact CG2-SD 4.04Å
278	R	97.9	Very high	97.5	Very high	48 Å²	48	29.1 Å²	29.1	18%	0.181	16%	0.156	C	C	.	.			trans	-138.7	122.8	179.1	-162.5	179.1	-77.4	107.1	4.4	109.1	H147 M269 D272 D274 A276 D280 A286	H147-R278 WeakPolarHBondContact O-CG 3.13Å; M269-R278 WeakPolarHBondContact CE-O 3.48Å; D272-R278 HydrophobicContact CB-CB 3.89Å; D272-R278 WeakPolarHBondContact OD2-CD 3.23Å; D272-R278 IonicContact OD2-CZ 2.66Å; D272-R278 IonicContact OD2-NH1 3.39Å; D272-R278 PolarHBondContact OD2-NH1 3.17Å; D274-R278 VanDerWaalsContact CG-NH1 3.27Å; D274-R278 IonicContact OD1-CZ 3.25Å; D274-R278 IonicContact OD1-NH1 2.66Å; D274-R278 PolarHBondContact OD1-NH1 3.49Å; D274-R278 IonicContact OD1-NH2 3.28Å; D274-R278 IonicContact OD2-CZ 2.76Å; D274-R278 IonicContact OD2-NH1 3.32Å; D274-R278 PolarHBondContact OD2-NH1 2.81Å; D274-R278 IonicContact OD2-NH2 3.73Å; D274-R278 PolarHBondContact OD2-NH2 2.95Å; A276-R278 PolarHBondContact O-N 3.29Å; R278-D280 HydrophobicContact CG-CB 4.35Å; R278-D280 PolarHBondContact O-N 2.84Å; R278-A286 WeakPolarHBondContact O-CB 3.38Å
279	M	98.5	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.			trans	-82.5	49.8	-176.6	-66.3	69.4	69.8	0	0	111.1	H88 H147 N148 F266 M269 I277 C281 D304 P305	H88-M279 WeakPolarHBondContact NE2-CE 3.48Å; H147-M279 WeakPolarHBondContact CB-O 3.44Å; N148-M279 WeakPolarHBondContact O-CE 3.32Å; F266-M279 HydrophobicContact CB-SD 3.94Å; F266-M279 HydrophobicContact CD1-CE 3.89Å; F266-M279 HydrophobicContact CD1-CG 3.52Å; F266-M279 HydrophobicContact CD1-SD 3.47Å; F266-M279 WeakPolarHBondContact CD1-SD 3.47Å; F266-M279 HydrophobicContact CD2-CE 3.93Å; F266-M279 HydrophobicContact CD2-SD 4.07Å; F266-M279 HydrophobicContact CE1-CE 3.74Å; F266-M279 HydrophobicContact CE1-CG 3.76Å; F266-M279 HydrophobicContact CE1-SD 3.92Å; F266-M279 HydrophobicContact CE2-CE 3.76Å; F266-M279 HydrophobicContact CE2-SD 4.44Å; F266-M279 HydrophobicContact CG-CE 3.98Å; F266-M279 HydrophobicContact CG-CG 4.24Å; F266-M279 HydrophobicContact CG-SD 3.55Å; F266-M279 VanDerWaalsContact CG-SD 3.55Å; F266-M279 HydrophobicContact CZ-CE 3.67Å; F266-M279 HydrophobicContact CZ-SD 4.38Å; M269-M279 HydrophobicContact CE-CG 4.29Å; M269-M279 HydrophobicContact CG-CG 4.22Å; M269-M279 HydrophobicContact CG-SD 4.38Å; M269-M279 HydrophobicContact SD-CG 4.04Å; I277-M279 HydrophobicContact CG2-SD 4.04Å; M279-C281 PolarHBondContact O-N 2.85Å; M279-D304 WeakPolarHBondContact O-CA 3.35Å; M279-D304 VanDerWaalsContact O-CB 3.32Å; M279-D304 WeakPolarHBondContact O-CB 3.29Å; M279-P305 HydrophobicContact CB-CG 3.52Å; M279-P305 HydrophobicContact CE-CG 3.79Å; M279-P305 HydrophobicContact CG-CG 3.98Å
280	D	98	Very high	97.5	Very high	15 Å²	15	28 Å²	28	8%	0.08	16%	0.157	C	C	.	.			trans	-86.8	100.2	-177	-175.4	6.3	0	0	0	110.9	R278 S282 S283 R309	R278-D280 HydrophobicContact CG-CB 4.35Å; R278-D280 PolarHBondContact O-N 2.84Å; D280-S282 PolarHBondContact O-N 2.89Å; D280-S282 PolarHBondContact OD1-N 2.95Å; D280-S282 PolarHBondContact OD1-OG 2.77Å; D280-S282 PolarHBondContact OD2-OG 3Å; D280-S283 PolarHBondContact O-N 2.84Å; D280-R309 IonicContact OD1-CZ 2.8Å; D280-R309 IonicContact OD1-NH1 3.43Å; D280-R309 PolarHBondContact OD1-NH1 2.78Å; D280-R309 IonicContact OD1-NH2 2.71Å; D280-R309 PolarHBondContact OD1-NH2 2.83Å
281	C	98.6	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-11.3	178	63.6	0	0	0	0	114.6	L236 M279 M287 A302 H310 G311	L236-C281 HydrophobicContact CD1-CB 4.11Å; M279-C281 PolarHBondContact O-N 2.85Å; C281-M287 HydrophobicContact CB-SD 4.46Å; C281-M287 WeakPolarHBondContact O-CG 3.46Å; C281-A302 HydrophobicContact CB-CB 4.09Å; C281-H310 VanDerWaalsContact SG-C 3.53Å; C281-G311 VanDerWaalsContact O-CA 3.26Å; C281-G311 WeakPolarHBondContact O-CA 3.26Å
282	S	96.5	Very high	97.5	Very high	34 Å²	34	30.7 Å²	30.7	24%	0.238	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-0.8	177.3	74.8	0	0	0	0	114.3	D280	D280-S282 PolarHBondContact O-N 2.89Å; D280-S282 PolarHBondContact OD1-N 2.95Å; D280-S282 PolarHBondContact OD1-OG 2.77Å; D280-S282 PolarHBondContact OD2-OG 3Å
283	S	96.6	Very high	97.6	Very high	11 Å²	11	33 Å²	33	8%	0.077	20%	0.195	C	C	.	.			trans	-95.6	122	177.1	177.7	0	0	0	0	111.6	D272 D280 C285 A286 M287	D272-S283 WeakPolarHBondContact OD1-CB 3.35Å; D272-S283 PolarHBondContact OD1-OG 3.49Å; D280-S283 PolarHBondContact O-N 2.84Å; S283-C285 PolarHBondContact O-N 3.23Å; S283-C285 PolarHBondContact OG-N 2.81Å; S283-A286 PolarHBondContact O-N 3.24Å; S283-M287 WeakPolarHBondContact O-CB 3.4Å; S283-M287 WeakPolarHBondContact O-CG 3.19Å; S283-M287 PolarHBondContact O-N 3.41Å
284	E	97	Very high	97.8	Very high	132 Å²	132	32.5 Å²	32.5	62%	0.617	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.3	174.2	-68.9	-174.4	-177.9	0	0	113.1	A288 L291 L318	E284-A288 PolarHBondContact O-N 2.84Å; E284-L291 HydrophobicContact CB-CD1 4.19Å; E284-L291 HydrophobicContact CG-CD1 4.42Å; E284-L318 HydrophobicContact CG-CB 4.34Å; E284-L318 HydrophobicContact CG-CD2 4.01Å
285	C	97.8	Very high	98	Very high	29 Å²	29	34.6 Å²	34.6	20%	0.196	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-48.4	178.9	-68.1	0	0	0	0	111.4	H270 L271 S283 M287 A288	H270-C285 WeakPolarHBondContact CB-O 3.48Å; L271-C285 WeakPolarHBondContact O-CB 3.5Å; S283-C285 PolarHBondContact O-N 3.23Å; S283-C285 PolarHBondContact OG-N 2.81Å; C285-M287 VanDerWaalsContact C-N 3.28Å; C285-M287 PolarHBondContact O-N 3.39Å; C285-A288 VanDerWaalsContact O-CB 3.31Å; C285-A288 WeakPolarHBondContact O-CB 3.45Å; C285-A288 PolarHBondContact O-N 3.26Å
286	A	97.9	Very high	98.1	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-34.1	177.3	0	0	0	0	0	111.8	M269 R278 S283 A288	M269-A286 HydrophobicContact CE-CB 3.94Å; R278-A286 WeakPolarHBondContact O-CB 3.38Å; S283-A286 PolarHBondContact O-N 3.24Å; A286-A288 VanDerWaalsContact C-N 3.28Å; A286-A288 PolarHBondContact O-N 3.13Å
287	M	98.6	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	4.5	-179.7	-67.8	-68.6	-73.3	0	0	114.2	L236 C281 S283 C285 G289 L290 L291 A302 V313 L318	L236-M287 HydrophobicContact CD1-SD 4.13Å; C281-M287 HydrophobicContact CB-SD 4.46Å; C281-M287 WeakPolarHBondContact O-CG 3.46Å; S283-M287 WeakPolarHBondContact O-CB 3.4Å; S283-M287 WeakPolarHBondContact O-CG 3.19Å; S283-M287 PolarHBondContact O-N 3.41Å; C285-M287 VanDerWaalsContact C-N 3.28Å; C285-M287 PolarHBondContact O-N 3.39Å; M287-G289 PolarHBondContact O-N 2.86Å; M287-G289 VanDerWaalsContact O-N 3.13Å; M287-L290 HydrophobicContact CE-CB 4.36Å; M287-L290 HydrophobicContact CE-CD2 3.7Å; M287-L290 PolarHBondContact O-N 3.33Å; M287-L290 VanDerWaalsContact O-N 3.15Å; M287-L291 HydrophobicContact CB-CD1 4.12Å; M287-L291 HydrophobicContact CB-CG 4.3Å; M287-L291 WeakPolarHBondContact O-CB 3.32Å; M287-L291 WeakPolarHBondContact O-CG 3.21Å; M287-L291 PolarHBondContact O-N 3.22Å; M287-A302 HydrophobicContact CE-CB 3.45Å; M287-A302 VanDerWaalsContact CE-CB 3.45Å; M287-A302 HydrophobicContact SD-CB 3.54Å; M287-A302 VanDerWaalsContact SD-CB 3.54Å; M287-V313 HydrophobicContact CE-CG2 3.89Å; M287-L318 HydrophobicContact CB-CD2 4.41Å; M287-L318 HydrophobicContact CE-CD1 4.31Å; M287-L318 HydrophobicContact CG-CD2 4.19Å
288	A	98.5	Very high	98.2	Very high	25 Å²	25	43.1 Å²	43.1	21%	0.207	23%	0.233	C	C	.	.	H	α-helix	trans	-55.2	-35.4	-174.4	0	0	0	0	0	113.2	H270 E284 C285 A286 L291 A292	H270-A288 HydrophobicContact CB-CB 4.03Å; E284-A288 PolarHBondContact O-N 2.84Å; C285-A288 VanDerWaalsContact O-CB 3.31Å; C285-A288 WeakPolarHBondContact O-CB 3.45Å; C285-A288 PolarHBondContact O-N 3.26Å; A286-A288 VanDerWaalsContact C-N 3.28Å; A286-A288 PolarHBondContact O-N 3.13Å; A288-L291 PolarHBondContact O-N 2.98Å; A288-A292 WeakPolarHBondContact O-CB 3.26Å; A288-A292 PolarHBondContact O-N 2.96Å
289	G	98.3	Very high	98.2	Very high	20 Å²	20	40.8 Å²	40.8	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-54.8	175.4	0	0	0	0	0	112.9	M287 A292	M287-G289 PolarHBondContact O-N 2.86Å; M287-G289 VanDerWaalsContact O-N 3.13Å; G289-A292 PolarHBondContact O-N 3.45Å
290	L	98.6	Very high	98.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.1	-38.2	177.7	-173.4	60.8	0	0	0	112	D234 V258 M287 A292 L293 R294 F297 A300 F301 A302 V313	D234-L290 HydrophobicContact CB-CB 4.1Å; D234-L290 HydrophobicContact CB-CD1 4.33Å; D234-L290 HydrophobicContact CB-CD2 4.05Å; D234-L290 HydrophobicContact CB-CG 4.39Å; V258-L290 HydrophobicContact CG1-CD1 3.97Å; V258-L290 HydrophobicContact CG2-CD1 4.04Å; M287-L290 HydrophobicContact CE-CB 4.36Å; M287-L290 HydrophobicContact CE-CD2 3.7Å; M287-L290 PolarHBondContact O-N 3.33Å; M287-L290 VanDerWaalsContact O-N 3.15Å; L290-A292 VanDerWaalsContact C-N 3.27Å; L290-A292 PolarHBondContact O-N 2.97Å; L290-L293 CarbonylContact O-C 3.42Å; L290-L293 WeakPolarHBondContact O-CA 2.95Å; L290-L293 PolarHBondContact O-N 3.41Å; L290-R294 PolarHBondContact O-N 2.83Å; L290-F297 HydrophobicContact CD1-CE2 4.48Å; L290-A300 HydrophobicContact CD1-CB 4.04Å; L290-A300 HydrophobicContact CD2-CB 4.14Å; L290-A300 HydrophobicContact CG-CB 4.3Å; L290-F301 WeakPolarHBondContact CD2-O 3.31Å; L290-A302 HydrophobicContact CD2-CB 4.42Å; L290-V313 HydrophobicContact CD2-CB 4.45Å; L290-V313 HydrophobicContact CD2-CG2 3.99Å; L290-V313 HydrophobicContact CG-CG2 4.42Å
291	L	98.7	Very high	98.3	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.126	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-32.9	177.7	-76.8	172.8	0	0	0	112.9	E284 M287 A288 L293 R294 V313 L318	E284-L291 HydrophobicContact CB-CD1 4.19Å; E284-L291 HydrophobicContact CG-CD1 4.42Å; M287-L291 HydrophobicContact CB-CD1 4.12Å; M287-L291 HydrophobicContact CB-CG 4.3Å; M287-L291 WeakPolarHBondContact O-CB 3.32Å; M287-L291 WeakPolarHBondContact O-CG 3.21Å; M287-L291 PolarHBondContact O-N 3.22Å; A288-L291 PolarHBondContact O-N 2.98Å; L291-L293 PolarHBondContact O-N 3.45Å; L291-R294 WeakPolarHBondContact O-CD 3.28Å; L291-R294 VanDerWaalsContact O-CG 3.26Å; L291-R294 WeakPolarHBondContact O-CG 3.38Å; L291-R294 PolarHBondContact O-N 3.07Å; L291-R294 PolarHBondContact O-NH1 3.08Å; L291-V313 HydrophobicContact CD2-CG1 4.13Å; L291-V313 HydrophobicContact CD2-CG2 4.27Å; L291-L318 HydrophobicContact CD1-CB 4.47Å; L291-L318 HydrophobicContact CD2-CB 4.03Å
292	A	98.6	Very high	98.3	Very high	77 Å²	77	40.1 Å²	40.1	64%	0.636	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.1	173.4	0	0	0	0	0	113.1	A288 G289 L290	A288-A292 WeakPolarHBondContact O-CB 3.26Å; A288-A292 PolarHBondContact O-N 2.96Å; G289-A292 PolarHBondContact O-N 3.45Å; L290-A292 VanDerWaalsContact C-N 3.27Å; L290-A292 PolarHBondContact O-N 2.97Å
293	L	98.6	Very high	98.4	Very high	49 Å²	49	38.5 Å²	38.5	26%	0.257	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-0.2	179.9	-58.8	178.5	0	0	0	113.5	V258 L290 L291 D295 K296 F297	V258-L293 HydrophobicContact CB-CD1 3.85Å; V258-L293 HydrophobicContact CG1-CD1 3.92Å; V258-L293 HydrophobicContact CG2-CD1 4.4Å; L290-L293 CarbonylContact O-C 3.42Å; L290-L293 WeakPolarHBondContact O-CA 2.95Å; L290-L293 PolarHBondContact O-N 3.41Å; L291-L293 PolarHBondContact O-N 3.45Å; L293-D295 PolarHBondContact O-N 3.36Å; L293-K296 HydrophobicContact CB-CD 4.48Å; L293-K296 HydrophobicContact CD2-CD 4.15Å; L293-K296 VanDerWaalsContact O-CB 3.31Å; L293-K296 WeakPolarHBondContact O-CB 3.06Å; L293-K296 PolarHBondContact O-N 3.35Å; L293-F297 HydrophobicContact CB-CE2 4.05Å
294	R	98.5	Very high	98.5	Very high	87 Å²	87	38 Å²	38	33%	0.328	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-55.1	-30.7	-170.5	72.2	-173.7	-178.9	-79.6	-7.1	114.9	L290 L291 K296 F297 V313 P315	L290-R294 PolarHBondContact O-N 2.83Å; L291-R294 WeakPolarHBondContact O-CD 3.28Å; L291-R294 VanDerWaalsContact O-CG 3.26Å; L291-R294 WeakPolarHBondContact O-CG 3.38Å; L291-R294 PolarHBondContact O-N 3.07Å; L291-R294 PolarHBondContact O-NH1 3.08Å; R294-K296 PolarHBondContact O-N 3.16Å; R294-F297 PolarHBondContact O-N 2.83Å; R294-V313 HydrophobicContact CB-CG1 3.66Å; R294-P315 WeakPolarHBondContact CD-O 3.44Å; R294-P315 PolarHBondContact NE-O 3.06Å; R294-P315 VanDerWaalsContact NE-O 3.07Å
295	D	98.5	Very high	98.6	Very high	120 Å²	120	31.7 Å²	31.7	64%	0.642	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-74.3	-8	-179.4	-61.2	-25.8	0	0	0	113.1	L293	L293-D295 PolarHBondContact O-N 3.36Å
296	K	98.7	Very high	98.6	Very high	141 Å²	141	30.4 Å²	30.4	61%	0.613	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-85.4	-12.4	177.1	-62.2	-175.4	177.5	-177.2	0	113.7	L293 R294	L293-K296 HydrophobicContact CB-CD 4.48Å; L293-K296 HydrophobicContact CD2-CD 4.15Å; L293-K296 VanDerWaalsContact O-CB 3.31Å; L293-K296 WeakPolarHBondContact O-CB 3.06Å; L293-K296 PolarHBondContact O-N 3.35Å; R294-K296 PolarHBondContact O-N 3.16Å
297	F	98.8	Very high	98.7	Very high	17 Å²	17	30.3 Å²	30.3	8%	0.075	17%	0.167	C	C	.	.			trans	-128.2	143.3	-169.4	-53.5	-67.6	0	0	0	110.4	T230 G232 V258 L290 L293 R294 A300	T230-F297 HydrophobicContact CG2-CD1 4.15Å; T230-F297 WeakPolarHBondContact O-CA 3.1Å; G232-F297 VanDerWaalsContact CA-CD1 3.5Å; V258-F297 HydrophobicContact CG1-CE2 3.81Å; V258-F297 HydrophobicContact CG1-CZ 3.65Å; L290-F297 HydrophobicContact CD1-CE2 4.48Å; L293-F297 HydrophobicContact CB-CE2 4.05Å; R294-F297 PolarHBondContact O-N 2.83Å; F297-A300 HydrophobicContact CB-CB 4.15Å; F297-A300 HydrophobicContact CD2-CB 3.96Å; F297-A300 HydrophobicContact CG-CB 4.23Å
298	D	98.8	Very high	98.7	Very high	74 Å²	74	30.6 Å²	30.6	40%	0.396	17%	0.168	S	C	.	.	S	Bend	trans	-64.5	-38	168.2	-63.3	-54.6	0	0	0	109.7	L229 T230	L229-D298 HydrophobicContact CD2-CB 4.39Å; T230-D298 PolarHBondContact N-OD2 2.97Å; T230-D298 PolarHBondContact O-N 2.73Å
299	L	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	138.6	178.7	-173.3	72.2	0	0	0	109	L231 G232 F301 I312 T314 A418 A419	L231-L299 WeakPolarHBondContact CA-O 3.37Å; L231-L299 HydrophobicContact CD2-CB 4.01Å; G232-L299 PolarHBondContact N-O 3.17Å; G232-L299 VanDerWaalsContact N-O 3.09Å; L299-F301 HydrophobicContact CD2-CD1 4.19Å; L299-F301 HydrophobicContact CD2-CE1 3.86Å; L299-F301 HydrophobicContact CG-CD1 4.08Å; L299-F301 HydrophobicContact CG-CE1 4.01Å; L299-I312 HydrophobicContact CD1-CG2 3.8Å; L299-T314 HydrophobicContact CD1-CG2 3.93Å; L299-A418 HydrophobicContact CD1-CB 4.43Å; L299-A418 HydrophobicContact CD2-CB 3.61Å; L299-A419 HydrophobicContact CD2-CB 4.15Å
300	A	98.9	Very high	98.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	160.7	172.7	0	0	0	0	0	111.6	G232 L290 F297 V313	G232-A300 CarbonylContact O-C 3.58Å; G232-A300 WeakPolarHBondContact O-CA 3.43Å; G232-A300 VanDerWaalsContact O-CB 3.31Å; G232-A300 WeakPolarHBondContact O-CB 3.35Å; L290-A300 HydrophobicContact CD1-CB 4.04Å; L290-A300 HydrophobicContact CD2-CB 4.14Å; L290-A300 HydrophobicContact CG-CB 4.3Å; F297-A300 HydrophobicContact CB-CB 4.15Å; F297-A300 HydrophobicContact CD2-CB 3.96Å; F297-A300 HydrophobicContact CG-CB 4.23Å; A300-V313 HydrophobicContact CB-CB 4.14Å; A300-V313 HydrophobicContact CB-CG1 4.44Å; A300-V313 PolarHBondContact N-O 3.39Å; A300-V313 WeakPolarHBondContact O-CA 3.29Å; A300-V313 PolarHBondContact O-N 2.88Å; A300-V313 VanDerWaalsContact O-O 3.09Å
301	F	98.8	Very high	98.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	164.2	-178	20.8	-86.2	0	0	0	113	L231 G232 V233 D234 W244 L255 L290 L299 G311 I312 C415	L231-F301 HydrophobicContact CB-CZ 4.28Å; L231-F301 HydrophobicContact CD1-CZ 4.33Å; L231-F301 HydrophobicContact CD2-CE1 4.21Å; L231-F301 HydrophobicContact CD2-CZ 4.35Å; G232-F301 PolarHBondContact O-N 3.39Å; V233-F301 VanDerWaalsContact CA-O 3.32Å; V233-F301 WeakPolarHBondContact CA-O 3.19Å; V233-F301 HydrophobicContact CG2-CD2 3.56Å; V233-F301 HydrophobicContact CG2-CE2 3.34Å; V233-F301 HydrophobicContact CG2-CZ 4.29Å; D234-F301 PolarHBondContact N-O 3.06Å; W244-F301 HydrophobicContact CE3-CE2 4.27Å; W244-F301 AromaticContact CH2-CD2 3.62Å; W244-F301 HydrophobicContact CH2-CD2 3.62Å; W244-F301 AromaticContact CH2-CE2 3.38Å; W244-F301 HydrophobicContact CH2-CE2 3.38Å; W244-F301 HydrophobicContact CH2-CZ 4.43Å; W244-F301 AromaticContact CZ2-CD2 3.72Å; W244-F301 HydrophobicContact CZ2-CD2 3.72Å; W244-F301 AromaticContact CZ2-CE2 3.94Å; W244-F301 HydrophobicContact CZ2-CE2 3.94Å; W244-F301 HydrophobicContact CZ3-CD2 4.22Å; W244-F301 AromaticContact CZ3-CE2 3.56Å; W244-F301 HydrophobicContact CZ3-CE2 3.56Å; W244-F301 HydrophobicContact CZ3-CZ 4.49Å; L255-F301 HydrophobicContact CD1-CE2 4.21Å; L255-F301 HydrophobicContact CD1-CZ 4.4Å; L290-F301 WeakPolarHBondContact CD2-O 3.31Å; L299-F301 HydrophobicContact CD2-CD1 4.19Å; L299-F301 HydrophobicContact CD2-CE1 3.86Å; L299-F301 HydrophobicContact CG-CD1 4.08Å; L299-F301 HydrophobicContact CG-CE1 4.01Å; F301-G311 CarbonylContact C-O 3.57Å; F301-G311 WeakPolarHBondContact CA-O 3.46Å; F301-G311 VanDerWaalsContact CB-O 3.26Å; F301-G311 WeakPolarHBondContact CB-O 3.45Å; F301-I312 HydrophobicContact CB-CD1 4.35Å; F301-C415 HydrophobicContact CB-CB 3.93Å; F301-C415 WeakPolarHBondContact CB-SG 2.9Å; F301-C415 HydrophobicContact CD1-CB 4.35Å; F301-C415 HydrophobicContact CD2-CB 3.68Å; F301-C415 HydrophobicContact CE2-CB 4.29Å; F301-C415 HydrophobicContact CG-CB 3.73Å
302	A	98.9	Very high	98.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	162	170	0	0	0	0	0	110.7	D234 L236 C281 M287 L290 G311	D234-A302 HydrophobicContact CB-CB 4.25Å; D234-A302 VanDerWaalsContact O-CA 3.28Å; D234-A302 WeakPolarHBondContact O-CA 3.48Å; D234-A302 WeakPolarHBondContact O-CB 3.11Å; L236-A302 HydrophobicContact CD1-CB 3.98Å; L236-A302 HydrophobicContact CG-CB 4.09Å; C281-A302 HydrophobicContact CB-CB 4.09Å; M287-A302 HydrophobicContact CE-CB 3.45Å; M287-A302 VanDerWaalsContact CE-CB 3.45Å; M287-A302 HydrophobicContact SD-CB 3.54Å; M287-A302 VanDerWaalsContact SD-CB 3.54Å; L290-A302 HydrophobicContact CD2-CB 4.42Å; A302-G311 PolarHBondContact N-O 2.95Å; A302-G311 PolarHBondContact O-N 3.09Å
303	N	98.9	Very high	98.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.			trans	-129.8	150.9	175.9	-59.2	104.2	0	0	0	109.3	L236 W244 Y307 R309 G411	L236-N303 WeakPolarHBondContact CD1-O 3.29Å; W244-N303 WeakPolarHBondContact CZ2-OD1 3.28Å; W244-N303 PolarHBondContact NE1-OD1 2.88Å; N303-Y307 HydrophobicContact CB-CD1 3.62Å; N303-Y307 HydrophobicContact CB-CD2 3.84Å; N303-Y307 HydrophobicContact CB-CE1 3.76Å; N303-Y307 HydrophobicContact CB-CE2 3.88Å; N303-Y307 HydrophobicContact CB-CG 3.67Å; N303-R309 PolarHBondContact ND2-O 2.96Å; N303-G411 VanDerWaalsContact ND2-C 3.28Å; N303-G411 WeakPolarHBondContact ND2-CA 3.35Å; N303-G411 PolarHBondContact ND2-O 3.26Å
304	D	98.6	Very high	98.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.			trans	-75.1	172	169.4	63.1	-21.2	0	0	0	112	S146 H147 M279 D306 Y307 D308 R309	S146-D304 PolarHBondContact OG-OD2 3.36Å; S146-D304 VanDerWaalsContact OG-OD2 3.04Å; H147-D304 HydrophobicContact CB-CB 3.99Å; H147-D304 IonicContact CD2-OD2 2.87Å; M279-D304 WeakPolarHBondContact O-CA 3.35Å; M279-D304 VanDerWaalsContact O-CB 3.32Å; M279-D304 WeakPolarHBondContact O-CB 3.29Å; D304-D306 VanDerWaalsContact C-N 3.28Å; D304-D306 PolarHBondContact O-N 2.71Å; D304-D306 VanDerWaalsContact O-N 3.12Å; D304-Y307 WeakPolarHBondContact O-CA 3.3Å; D304-Y307 WeakPolarHBondContact O-CD2 3.47Å; D304-Y307 WeakPolarHBondContact O-CE2 3.13Å; D304-Y307 PolarHBondContact O-N 3.37Å; D304-D308 PolarHBondContact OD1-N 3.28Å; D304-R309 WeakPolarHBondContact OD1-CB 3.47Å; D304-R309 PolarHBondContact OD1-N 2.89Å; D304-R309 IonicContact OD2-CZ 3.28Å; D304-R309 IonicContact OD2-NE 3.37Å; D304-R309 PolarHBondContact OD2-NE 3.21Å; D304-R309 IonicContact OD2-NH2 2.72Å; D304-R309 PolarHBondContact OD2-NH2 3Å; D304-R309 VanDerWaalsContact OD2-NH2 3.16Å
305	P	98.8	Very high	98.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.2	-167.6	-30.6	39	0	0	0	115.8	D86 S146 S239 M279	D86-P305 HydrophobicContact CB-CB 4.5Å; S146-P305 WeakPolarHBondContact O-CG 3.24Å; S239-P305 WeakPolarHBondContact CB-O 3.24Å; S239-P305 PolarHBondContact N-O 3.34Å; S239-P305 PolarHBondContact OG-O 3.27Å; M279-P305 HydrophobicContact CB-CG 3.52Å; M279-P305 HydrophobicContact CE-CG 3.79Å; M279-P305 HydrophobicContact CG-CG 3.98Å
306	D	98.8	Very high	98.8	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.011	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.4	174.9	55	-25.3	0	0	0	114.9	T120 T144 S146 D304 D308	T120-D306 WeakPolarHBondContact CB-O 3.21Å; T120-D306 PolarHBondContact N-O 3.34Å; T144-D306 HydrophobicContact CG2-CB 3.55Å; T144-D306 WeakPolarHBondContact OG1-CB 3.31Å; S146-D306 WeakPolarHBondContact CA-OD1 3.44Å; S146-D306 WeakPolarHBondContact CB-OD1 3.35Å; S146-D306 VanDerWaalsContact CB-OD2 3.28Å; S146-D306 WeakPolarHBondContact CB-OD2 3.37Å; S146-D306 PolarHBondContact OG-OD1 2.7Å; S146-D306 PolarHBondContact OG-OD2 2.85Å; D304-D306 VanDerWaalsContact C-N 3.28Å; D304-D306 PolarHBondContact O-N 2.71Å; D304-D306 VanDerWaalsContact O-N 3.12Å; D306-D308 PolarHBondContact O-N 3.44Å; D306-D308 VanDerWaalsContact O-N 3.13Å
307	Y	98.9	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	59.2	24.5	172.7	-85.1	-121.6	0	0	0	113.5	P119 P121 P235 G240 I241 W244 N303 D304 G411 I412	P119-Y307 HydrophobicContact CG-CG 4.3Å; P121-Y307 WeakPolarHBondContact CG-O 3.48Å; P235-Y307 VanDerWaalsContact CA-OH 3.25Å; P235-Y307 WeakPolarHBondContact CA-OH 3.49Å; P235-Y307 VanDerWaalsContact CB-OH 3.31Å; P235-Y307 WeakPolarHBondContact CB-OH 3.16Å; P235-Y307 PolarHBondContact O-OH 2.84Å; G240-Y307 VanDerWaalsContact C-CE1 3.46Å; G240-Y307 VanDerWaalsContact C-CZ 3.47Å; G240-Y307 VanDerWaalsContact N-CD2 3.32Å; G240-Y307 VanDerWaalsContact N-CZ 3.33Å; I241-Y307 PolarHBondContact N-OH 2.71Å; W244-Y307 AromaticContact CD1-CE1 3.52Å; W244-Y307 AromaticContact NE1-CE1 3.4Å; N303-Y307 HydrophobicContact CB-CD1 3.62Å; N303-Y307 HydrophobicContact CB-CD2 3.84Å; N303-Y307 HydrophobicContact CB-CE1 3.76Å; N303-Y307 HydrophobicContact CB-CE2 3.88Å; N303-Y307 HydrophobicContact CB-CG 3.67Å; D304-Y307 WeakPolarHBondContact O-CA 3.3Å; D304-Y307 WeakPolarHBondContact O-CD2 3.47Å; D304-Y307 WeakPolarHBondContact O-CE2 3.13Å; D304-Y307 PolarHBondContact O-N 3.37Å; Y307-G411 WeakPolarHBondContact O-CA 3.23Å; Y307-G411 PolarHBondContact O-N 2.78Å; Y307-I412 HydrophobicContact CD1-CD1 3.94Å; Y307-I412 HydrophobicContact CD1-CG1 3.78Å; Y307-I412 HydrophobicContact CE1-CG1 4.5Å
308	D	98.7	Very high	98.8	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.032	9%	0.092	C	C	.	.			trans	-92.9	-12.7	175	92.1	-41.3	0	0	0	111.4	T120 D304 D306 K409	T120-D308 HydrophobicContact CG2-CB 3.94Å; D304-D308 PolarHBondContact OD1-N 3.28Å; D306-D308 PolarHBondContact O-N 3.44Å; D306-D308 VanDerWaalsContact O-N 3.13Å; D308-K409 HydrophobicContact CB-CB 3.87Å; D308-K409 WeakPolarHBondContact O-CB 3.32Å; D308-K409 WeakPolarHBondContact OD2-CE 3.47Å; D308-K409 IonicContact OD2-NZ 2.74Å; D308-K409 PolarHBondContact OD2-NZ 2.83Å
309	R	98.7	Very high	98.7	Very high	13 Å²	13	10.6 Å²	10.6	5%	0.049	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-116.6	164	173.4	-57	-170.2	-60.9	130.9	16.9	113.3	H147 D280 N303 D304 S392 A393 G411	H147-R309 PolarHBondContact CD2-NH2 3.34Å; D280-R309 IonicContact OD1-CZ 2.8Å; D280-R309 IonicContact OD1-NH1 3.43Å; D280-R309 PolarHBondContact OD1-NH1 2.78Å; D280-R309 IonicContact OD1-NH2 2.71Å; D280-R309 PolarHBondContact OD1-NH2 2.83Å; N303-R309 PolarHBondContact ND2-O 2.96Å; D304-R309 WeakPolarHBondContact OD1-CB 3.47Å; D304-R309 PolarHBondContact OD1-N 2.89Å; D304-R309 IonicContact OD2-CZ 3.28Å; D304-R309 IonicContact OD2-NE 3.37Å; D304-R309 PolarHBondContact OD2-NE 3.21Å; D304-R309 IonicContact OD2-NH2 2.72Å; D304-R309 PolarHBondContact OD2-NH2 3Å; D304-R309 VanDerWaalsContact OD2-NH2 3.16Å; R309-S392 VanDerWaalsContact CD-O 3.26Å; R309-S392 WeakPolarHBondContact CD-O 3.15Å; R309-S392 PolarHBondContact NH1-O 3.17Å; R309-A393 CarbonylContact C-O 3.58Å; R309-A393 WeakPolarHBondContact CA-O 3.43Å; R309-A393 VanDerWaalsContact CB-O 3.23Å; R309-A393 WeakPolarHBondContact CB-O 3.13Å; R309-G411 WeakPolarHBondContact O-CA 3.4Å
310	H	98.9	Very high	98.6	Very high	5 Å²	5	13.5 Å²	13.5	2%	0.023	9%	0.09	C	C	.	.			trans	-136.3	140.2	-175.6	52.8	-83.5	0	0	0	112.1	C281 Y324 A393 M414	C281-H310 VanDerWaalsContact SG-C 3.53Å; H310-Y324 AromaticContact CD2-CD1 3.5Å; H310-Y324 VanDerWaalsContact CD2-CD1 3.5Å; H310-Y324 WeakPolarHBondContact CD2-CD1 3.49Å; H310-Y324 AromaticContact CD2-CE1 3.65Å; H310-Y324 AromaticContact NE2-CD1 3.45Å; H310-Y324 WeakPolarHBondContact NE2-CD1 3.28Å; H310-Y324 AromaticContact NE2-CE1 3.77Å; H310-A393 PolarHBondContact CE1-O 2.79Å; H310-A393 PolarHBondContact N-O 3.16Å; H310-A393 PolarHBondContact ND1-O 3.14Å; H310-A393 WeakPolarHBondContact O-CB 3.47Å; H310-M414 HydrophobicContact CB-CB 4.06Å; H310-M414 VanDerWaalsContact ND1-CB 3.3Å; H310-M414 WeakPolarHBondContact ND1-CB 3.33Å
311	G	98.8	Very high	98.5	Very high	3 Å²	3	14.6 Å²	14.6	3%	0.031	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.9	166.7	0	0	0	0	0	109.9	C281 F301 A302	C281-G311 VanDerWaalsContact O-CA 3.26Å; C281-G311 WeakPolarHBondContact O-CA 3.26Å; F301-G311 CarbonylContact C-O 3.57Å; F301-G311 WeakPolarHBondContact CA-O 3.46Å; F301-G311 VanDerWaalsContact CB-O 3.26Å; F301-G311 WeakPolarHBondContact CB-O 3.45Å; A302-G311 PolarHBondContact N-O 2.95Å; A302-G311 PolarHBondContact O-N 3.09Å
312	I	98.9	Very high	98.5	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.015	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.5	-178.7	-51.7	-56	0	0	0	109.6	L299 F301 M319 Y324 A418	L299-I312 HydrophobicContact CD1-CG2 3.8Å; F301-I312 HydrophobicContact CB-CD1 4.35Å; I312-M319 HydrophobicContact CB-CB 4.29Å; I312-M319 HydrophobicContact CB-CG 4.32Å; I312-M319 HydrophobicContact CB-SD 4.22Å; I312-M319 HydrophobicContact CG2-CG 4.33Å; I312-M319 HydrophobicContact CG2-SD 3.85Å; I312-M319 PolarHBondContact O-N 2.96Å; I312-Y324 HydrophobicContact CD1-CD1 4.32Å; I312-Y324 HydrophobicContact CD1-CE1 3.89Å; I312-Y324 HydrophobicContact CG1-CD1 3.55Å; I312-Y324 HydrophobicContact CG1-CD2 4.13Å; I312-Y324 HydrophobicContact CG1-CE1 3.6Å; I312-Y324 HydrophobicContact CG1-CE2 4.23Å; I312-Y324 HydrophobicContact CG1-CG 3.83Å; I312-A418 HydrophobicContact CD1-CB 4.03Å; I312-A418 HydrophobicContact CG2-CB 4.11Å
313	V	98.9	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.1	-179.5	176.2	0	0	0	0	109.6	M287 L290 L291 R294 A300 G317 L318	M287-V313 HydrophobicContact CE-CG2 3.89Å; L290-V313 HydrophobicContact CD2-CB 4.45Å; L290-V313 HydrophobicContact CD2-CG2 3.99Å; L290-V313 HydrophobicContact CG-CG2 4.42Å; L291-V313 HydrophobicContact CD2-CG1 4.13Å; L291-V313 HydrophobicContact CD2-CG2 4.27Å; R294-V313 HydrophobicContact CB-CG1 3.66Å; A300-V313 HydrophobicContact CB-CB 4.14Å; A300-V313 HydrophobicContact CB-CG1 4.44Å; A300-V313 PolarHBondContact N-O 3.39Å; A300-V313 WeakPolarHBondContact O-CA 3.29Å; A300-V313 PolarHBondContact O-N 2.88Å; A300-V313 VanDerWaalsContact O-O 3.09Å; V313-G317 WeakPolarHBondContact CA-O 3.49Å; V313-L318 HydrophobicContact CG2-CD1 3.96Å
314	T	98.9	Very high	98.4	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	174.7	167.3	66.7	0	0	0	0	108.2	L299 A316 G317 N428 Q430	L299-T314 HydrophobicContact CD1-CG2 3.93Å; T314-A316 PolarHBondContact O-N 2.86Å; T314-A316 WeakPolarHBondContact OG1-CB 3.44Å; T314-A316 PolarHBondContact OG1-N 2.89Å; T314-G317 PolarHBondContact N-O 3.33Å; T314-G317 PolarHBondContact O-N 2.94Å; T314-N428 HydrophobicContact CG2-CB 4.16Å; T314-Q430 HydrophobicContact CG2-CB 4.07Å
315	P	98.7	Very high	98.4	Very high	57 Å²	57	16.6 Å²	16.6	37%	0.37	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-22.9	170.6	-28.9	37	0	0	0	114	R294 G317	R294-P315 WeakPolarHBondContact CD-O 3.44Å; R294-P315 PolarHBondContact NE-O 3.06Å; R294-P315 VanDerWaalsContact NE-O 3.07Å; P315-G317 VanDerWaalsContact C-N 3.3Å; P315-G317 PolarHBondContact O-N 3.44Å
316	A	98.5	Very high	98.5	Very high	85 Å²	85	16.6 Å²	16.6	70%	0.702	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.9	174.9	0	0	0	0	0	114.4	T314 Q430	T314-A316 PolarHBondContact O-N 2.86Å; T314-A316 WeakPolarHBondContact OG1-CB 3.44Å; T314-A316 PolarHBondContact OG1-N 2.89Å; A316-Q430 HydrophobicContact CB-CG 4.22Å
317	G	98.4	Very high	98.5	Very high	15 Å²	15	16.5 Å²	16.5	16%	0.155	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.7	-164.6	-178.7	0	0	0	0	0	113.6	V313 T314 P315	V313-G317 WeakPolarHBondContact CA-O 3.49Å; T314-G317 PolarHBondContact N-O 3.33Å; T314-G317 PolarHBondContact O-N 2.94Å; P315-G317 VanDerWaalsContact C-N 3.3Å; P315-G317 PolarHBondContact O-N 3.44Å
318	L	98.5	Very high	98.5	Very high	23 Å²	23	16.5 Å²	16.5	12%	0.12	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126.3	175.9	179.5	63.6	0	0	0	109.2	E284 M287 L291 V313	E284-L318 HydrophobicContact CG-CB 4.34Å; E284-L318 HydrophobicContact CG-CD2 4.01Å; M287-L318 HydrophobicContact CB-CD2 4.41Å; M287-L318 HydrophobicContact CE-CD1 4.31Å; M287-L318 HydrophobicContact CG-CD2 4.19Å; L291-L318 HydrophobicContact CD1-CB 4.47Å; L291-L318 HydrophobicContact CD2-CB 4.03Å; V313-L318 HydrophobicContact CG2-CD1 3.96Å
319	M	98.4	Very high	98.5	Very high	7 Å²	7	16.3 Å²	16.3	3%	0.034	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-69.6	138.7	175.4	-67.9	-167.6	67.3	0	0	110.9	I312 H323 Y324 P429 Q430	I312-M319 HydrophobicContact CB-CB 4.29Å; I312-M319 HydrophobicContact CB-CG 4.32Å; I312-M319 HydrophobicContact CB-SD 4.22Å; I312-M319 HydrophobicContact CG2-CG 4.33Å; I312-M319 HydrophobicContact CG2-SD 3.85Å; I312-M319 PolarHBondContact O-N 2.96Å; M319-H323 HydrophobicContact CE-CB 4.3Å; M319-Y324 HydrophobicContact CE-CD2 4.33Å; M319-Y324 HydrophobicContact SD-CD2 4.22Å; M319-P429 HydrophobicContact CE-CB 4.04Å; M319-P429 HydrophobicContact SD-CB 3.7Å; M319-Q430 HydrophobicContact CE-CB 4.26Å; M319-Q430 HydrophobicContact CG-CB 4.29Å; M319-Q430 HydrophobicContact SD-CB 4.11Å
320	N	95.7	Very high	98.5	Very high	60 Å²	60	16.4 Å²	16.4	32%	0.321	11%	0.106	S	C	.	.	P	Polyproline II helix	trans	-61.2	133	166	-176.5	-63.2	0	0	0	109.3	N322 H323 Y324	N320-N322 VanDerWaalsContact C-N 3.32Å; N320-N322 PolarHBondContact O-N 2.97Å; N320-N322 WeakPolarHBondContact OD1-CB 3.36Å; N320-N322 PolarHBondContact OD1-N 3.06Å; N320-H323 HydrophobicContact CB-CB 4.22Å; N320-H323 VanDerWaalsContact O-CB 3.32Å; N320-H323 WeakPolarHBondContact O-CB 3.46Å; N320-H323 PolarHBondContact O-N 2.9Å; N320-Y324 PolarHBondContact O-N 3.26Å
321	P	97	Very high	98.5	Very high	24 Å²	24	16.5 Å²	16.5	16%	0.156	11%	0.107	C	C	.	.	H	α-helix	trans	-53.4	-43.9	-179	-30.4	37	0	0	0	114	H323 Y324 L325 E391 A393	P321-H323 VanDerWaalsContact C-N 3.26Å; P321-H323 PolarHBondContact O-N 2.81Å; P321-Y324 PolarHBondContact O-N 3.08Å; P321-L325 WeakPolarHBondContact O-CG 3.41Å; P321-L325 PolarHBondContact O-N 3.21Å; P321-E391 WeakPolarHBondContact CB-O 3.41Å; P321-A393 HydrophobicContact CB-CB 3.75Å; P321-A393 HydrophobicContact CG-CB 3.68Å
322	N	97.9	Very high	98.5	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-60.9	-36.1	177.8	-82.9	-59.3	0	0	0	112.7	N320 Y324 A326 S351 S352 E391	N320-N322 VanDerWaalsContact C-N 3.32Å; N320-N322 PolarHBondContact O-N 2.97Å; N320-N322 WeakPolarHBondContact OD1-CB 3.36Å; N320-N322 PolarHBondContact OD1-N 3.06Å; N322-Y324 VanDerWaalsContact C-N 3.34Å; N322-A326 PolarHBondContact O-N 3.21Å; N322-A326 VanDerWaalsContact O-N 3.15Å; N322-S351 WeakPolarHBondContact OD1-CA 3.28Å; N322-S352 PolarHBondContact OD1-N 2.92Å; N322-E391 WeakPolarHBondContact OD1-CB 3.47Å
323	H	98.4	Very high	98.5	Very high	38 Å²	38	17 Å²	17	18%	0.176	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-44.7	179.1	-63	-176.6	0	0	0	110	M319 N320 P321 A326 V327 Y433	M319-H323 HydrophobicContact CE-CB 4.3Å; N320-H323 HydrophobicContact CB-CB 4.22Å; N320-H323 VanDerWaalsContact O-CB 3.32Å; N320-H323 WeakPolarHBondContact O-CB 3.46Å; N320-H323 PolarHBondContact O-N 2.9Å; P321-H323 VanDerWaalsContact C-N 3.26Å; P321-H323 PolarHBondContact O-N 2.81Å; H323-A326 PolarHBondContact O-N 3.15Å; H323-V327 WeakPolarHBondContact O-CG2 3.31Å; H323-V327 PolarHBondContact O-N 3.35Å; H323-V327 VanDerWaalsContact O-N 3.16Å; H323-Y433 VanDerWaalsContact CA-CD2 3.49Å; H323-Y433 HydrophobicContact CB-CD1 4.03Å; H323-Y433 HydrophobicContact CB-CD2 3.39Å; H323-Y433 HydrophobicContact CB-CE1 4.17Å; H323-Y433 HydrophobicContact CB-CE2 3.54Å; H323-Y433 HydrophobicContact CB-CG 3.64Å; H323-Y433 AromaticContact CD2-CE1 3.78Å; H323-Y433 AromaticContact CD2-CE2 3.5Å; H323-Y433 VanDerWaalsContact CD2-CE2 3.5Å; H323-Y433 WeakPolarHBondContact CD2-CE2 3.24Å; H323-Y433 AromaticContact CD2-CZ 3.2Å; H323-Y433 PolarHBondContact CD2-OH 2.92Å; H323-Y433 AromaticContact CE1-CE1 3.46Å; H323-Y433 VanDerWaalsContact CE1-CE1 3.46Å; H323-Y433 WeakPolarHBondContact CE1-CE1 3.47Å; H323-Y433 AromaticContact CE1-CZ 3.68Å; H323-Y433 AromaticContact CG-CD1 3.78Å; H323-Y433 AromaticContact CG-CD2 3.74Å; H323-Y433 AromaticContact CG-CE1 3.48Å; H323-Y433 VanDerWaalsContact CG-CE1 3.48Å; H323-Y433 AromaticContact CG-CE2 3.42Å; H323-Y433 VanDerWaalsContact CG-CE2 3.42Å; H323-Y433 AromaticContact CG-CG 3.89Å; H323-Y433 AromaticContact CG-CZ 3.28Å; H323-Y433 AromaticContact ND1-CD1 3.57Å; H323-Y433 AromaticContact ND1-CE1 3.28Å; H323-Y433 VanDerWaalsContact ND1-CE1 3.28Å; H323-Y433 WeakPolarHBondContact ND1-CE1 3.31Å; H323-Y433 AromaticContact ND1-CZ 3.59Å; H323-Y433 AromaticContact NE2-CE1 3.79Å; H323-Y433 AromaticContact NE2-CZ 3.49Å; H323-Y433 PolarHBondContact NE2-OH 3.46Å
324	Y	98.8	Very high	98.5	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-39.7	179	-174	-123.3	0	0	0	112.4	H310 I312 M319 N320 P321 N322 A326 V327 A328 M414 A418 I421 P429	H310-Y324 AromaticContact CD2-CD1 3.5Å; H310-Y324 VanDerWaalsContact CD2-CD1 3.5Å; H310-Y324 WeakPolarHBondContact CD2-CD1 3.49Å; H310-Y324 AromaticContact CD2-CE1 3.65Å; H310-Y324 AromaticContact NE2-CD1 3.45Å; H310-Y324 WeakPolarHBondContact NE2-CD1 3.28Å; H310-Y324 AromaticContact NE2-CE1 3.77Å; I312-Y324 HydrophobicContact CD1-CD1 4.32Å; I312-Y324 HydrophobicContact CD1-CE1 3.89Å; I312-Y324 HydrophobicContact CG1-CD1 3.55Å; I312-Y324 HydrophobicContact CG1-CD2 4.13Å; I312-Y324 HydrophobicContact CG1-CE1 3.6Å; I312-Y324 HydrophobicContact CG1-CE2 4.23Å; I312-Y324 HydrophobicContact CG1-CG 3.83Å; M319-Y324 HydrophobicContact CE-CD2 4.33Å; M319-Y324 HydrophobicContact SD-CD2 4.22Å; N320-Y324 PolarHBondContact O-N 3.26Å; P321-Y324 PolarHBondContact O-N 3.08Å; N322-Y324 VanDerWaalsContact C-N 3.34Å; Y324-A326 VanDerWaalsContact C-N 3.34Å; Y324-A326 PolarHBondContact O-N 2.86Å; Y324-V327 PolarHBondContact O-N 2.84Å; Y324-A328 WeakPolarHBondContact O-CB 3.05Å; Y324-A328 PolarHBondContact O-N 2.91Å; Y324-M414 HydrophobicContact CD1-CE 4.22Å; Y324-M414 HydrophobicContact CE1-CB 4.45Å; Y324-M414 HydrophobicContact CE1-CE 3.7Å; Y324-M414 WeakPolarHBondContact CE1-O 3.26Å; Y324-M414 PolarHBondContact OH-O 3.46Å; Y324-A418 HydrophobicContact CE2-CB 3.9Å; Y324-A418 WeakPolarHBondContact OH-CA 3.34Å; Y324-A418 WeakPolarHBondContact OH-CB 3.43Å; Y324-A418 PolarHBondContact OH-N 3.32Å; Y324-I421 HydrophobicContact CE2-CD1 4.33Å; Y324-P429 HydrophobicContact CD2-CB 3.74Å; Y324-P429 HydrophobicContact CD2-CG 4.29Å; Y324-P429 HydrophobicContact CE2-CB 3.77Å; Y324-P429 HydrophobicContact CE2-CG 3.85Å
325	L	98.9	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.7	-46.2	173.6	-65.9	177.7	0	0	0	112	P321 V327 A328 I329 I355 F387 A395	P321-L325 WeakPolarHBondContact O-CG 3.41Å; P321-L325 PolarHBondContact O-N 3.21Å; L325-V327 VanDerWaalsContact C-N 3.33Å; L325-V327 PolarHBondContact O-N 3.04Å; L325-A328 PolarHBondContact O-N 3.44Å; L325-I329 WeakPolarHBondContact O-CB 3.45Å; L325-I329 WeakPolarHBondContact O-CD1 3.42Å; L325-I329 VanDerWaalsContact O-CG1 3.26Å; L325-I329 WeakPolarHBondContact O-CG1 3.36Å; L325-I329 PolarHBondContact O-N 3.28Å; L325-I355 HydrophobicContact CB-CD1 4.15Å; L325-I355 HydrophobicContact CD1-CD1 4.46Å; L325-F387 HydrophobicContact CD2-CE1 4.19Å; L325-F387 HydrophobicContact CD2-CZ 3.69Å; L325-A395 HydrophobicContact CD2-CB 3.87Å
326	A	98.9	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-39.8	178.8	0	0	0	0	0	112.3	N322 H323 Y324 N330 M354 I355 L436	N322-A326 PolarHBondContact O-N 3.21Å; N322-A326 VanDerWaalsContact O-N 3.15Å; H323-A326 PolarHBondContact O-N 3.15Å; Y324-A326 VanDerWaalsContact C-N 3.34Å; Y324-A326 PolarHBondContact O-N 2.86Å; A326-N330 VanDerWaalsContact O-CB 3.24Å; A326-N330 WeakPolarHBondContact O-CB 3.42Å; A326-N330 PolarHBondContact O-N 2.77Å; A326-M354 HydrophobicContact CB-CB 4.23Å; A326-M354 HydrophobicContact CB-CG 3.68Å; A326-I355 HydrophobicContact CB-CG1 4.32Å; A326-L436 HydrophobicContact CB-CD1 4.25Å
327	V	99	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.6	-45	176.2	173.7	0	0	0	0	111.6	H323 Y324 L325 I329 N330 Y331 I421 P429 H432 Y433 L436	H323-V327 WeakPolarHBondContact O-CG2 3.31Å; H323-V327 PolarHBondContact O-N 3.35Å; H323-V327 VanDerWaalsContact O-N 3.16Å; Y324-V327 PolarHBondContact O-N 2.84Å; L325-V327 VanDerWaalsContact C-N 3.33Å; L325-V327 PolarHBondContact O-N 3.04Å; V327-I329 VanDerWaalsContact C-N 3.35Å; V327-I329 PolarHBondContact O-N 3.21Å; V327-N330 PolarHBondContact O-N 3.07Å; V327-Y331 WeakPolarHBondContact O-CB 3.44Å; V327-Y331 PolarHBondContact O-N 3.03Å; V327-I421 HydrophobicContact CG1-CD1 4.22Å; V327-P429 HydrophobicContact CG1-CB 3.98Å; V327-P429 WeakPolarHBondContact CG2-O 3.49Å; V327-H432 HydrophobicContact CB-CB 4.43Å; V327-H432 HydrophobicContact CG1-CB 3.59Å; V327-H432 HydrophobicContact CG2-CB 3.92Å; V327-Y433 HydrophobicContact CG2-CD2 4.36Å; V327-L436 HydrophobicContact CG2-CD1 3.98Å
328	A	99	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.7	-47.7	177.9	0	0	0	0	0	111.1	Y324 L325 Y331 L332 F387 M414 L417	Y324-A328 WeakPolarHBondContact O-CB 3.05Å; Y324-A328 PolarHBondContact O-N 2.91Å; L325-A328 PolarHBondContact O-N 3.44Å; A328-Y331 PolarHBondContact O-N 2.69Å; A328-L332 VanDerWaalsContact O-CB 3.3Å; A328-L332 WeakPolarHBondContact O-CB 3.28Å; A328-L332 VanDerWaalsContact O-CG 3.28Å; A328-L332 WeakPolarHBondContact O-CG 3.25Å; A328-L332 PolarHBondContact O-N 2.66Å; A328-F387 HydrophobicContact CB-CE2 4.22Å; A328-M414 HydrophobicContact CB-CE 3.96Å; A328-L417 HydrophobicContact CB-CD2 3.75Å
329	I	98.9	Very high	98.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-47.9	176.1	-67.1	162.3	0	0	0	110.7	L325 V327 Y331 F333 V345 I355 V358 V359 F387	L325-I329 WeakPolarHBondContact O-CB 3.45Å; L325-I329 WeakPolarHBondContact O-CD1 3.42Å; L325-I329 VanDerWaalsContact O-CG1 3.26Å; L325-I329 WeakPolarHBondContact O-CG1 3.36Å; L325-I329 PolarHBondContact O-N 3.28Å; V327-I329 VanDerWaalsContact C-N 3.35Å; V327-I329 PolarHBondContact O-N 3.21Å; I329-Y331 VanDerWaalsContact C-N 3.29Å; I329-Y331 PolarHBondContact O-N 2.8Å; I329-F333 HydrophobicContact CG2-CD2 4.11Å; I329-F333 HydrophobicContact CG2-CE2 4.47Å; I329-F333 WeakPolarHBondContact O-CD2 3.42Å; I329-F333 PolarHBondContact O-N 2.78Å; I329-V345 HydrophobicContact CD1-CG1 3.77Å; I329-V345 HydrophobicContact CG1-CG1 4.07Å; I329-V345 HydrophobicContact CG2-CG1 3.98Å; I329-V345 HydrophobicContact CG2-CG2 4.15Å; I329-I355 HydrophobicContact CD1-CB 4.46Å; I329-I355 HydrophobicContact CD1-CD1 4.23Å; I329-I355 HydrophobicContact CD1-CG1 4.08Å; I329-I355 HydrophobicContact CD1-CG2 3.65Å; I329-V358 HydrophobicContact CG2-CG1 4.12Å; I329-V359 HydrophobicContact CG2-CG2 3.79Å; I329-F387 HydrophobicContact CD1-CD1 3.77Å; I329-F387 HydrophobicContact CD1-CE1 3.67Å; I329-F387 HydrophobicContact CD1-CZ 4.41Å; I329-F387 HydrophobicContact CG1-CD1 3.54Å; I329-F387 HydrophobicContact CG1-CD2 4.28Å; I329-F387 HydrophobicContact CG1-CE1 3.65Å; I329-F387 HydrophobicContact CG1-CE2 4.38Å; I329-F387 HydrophobicContact CG1-CG 3.88Å; I329-F387 HydrophobicContact CG1-CZ 4.08Å
330	N	98.9	Very high	98.4	Very high	15 Å²	15	30 Å²	30	8%	0.08	17%	0.165	C	C	.	.	H	α-helix	trans	-56.3	-45.5	179.3	-174.6	56.3	0	0	0	111.4	A326 V327 Q334 V358 L436	A326-N330 VanDerWaalsContact O-CB 3.24Å; A326-N330 WeakPolarHBondContact O-CB 3.42Å; A326-N330 PolarHBondContact O-N 2.77Å; V327-N330 PolarHBondContact O-N 3.07Å; N330-Q334 WeakPolarHBondContact O-CG 3.46Å; N330-Q334 PolarHBondContact O-NE2 2.84Å; N330-Q334 PolarHBondContact OD1-NE2 2.88Å; N330-Q334 VanDerWaalsContact OD1-NE2 3.15Å; N330-V358 HydrophobicContact CB-CG1 3.64Å; N330-V358 HydrophobicContact CB-CG2 4.49Å; N330-L436 HydrophobicContact CB-CD1 4.43Å
331	Y	98.9	Very high	98.4	Very high	8 Å²	8	35.1 Å²	35.1	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-70.1	-54.6	-179.8	174.4	-93.2	0	0	0	112.3	V327 A328 I329 F333 Q334 H335 L417 E420 I421 V424 T425	V327-Y331 WeakPolarHBondContact O-CB 3.44Å; V327-Y331 PolarHBondContact O-N 3.03Å; A328-Y331 PolarHBondContact O-N 2.69Å; I329-Y331 VanDerWaalsContact C-N 3.29Å; I329-Y331 PolarHBondContact O-N 2.8Å; Y331-F333 PolarHBondContact O-N 3.32Å; Y331-Q334 PolarHBondContact O-N 2.95Å; Y331-H335 HydrophobicContact CD1-CB 4.42Å; Y331-H335 AromaticContact CD2-CE1 3.61Å; Y331-H335 AromaticContact CD2-CG 3.93Å; Y331-H335 AromaticContact CD2-ND1 3.43Å; Y331-H335 WeakPolarHBondContact CD2-ND1 3.46Å; Y331-H335 HydrophobicContact CE1-CB 3.94Å; Y331-H335 HydrophobicContact CE2-CB 4.16Å; Y331-H335 AromaticContact CE2-CD2 3.65Å; Y331-H335 AromaticContact CE2-CE1 3.65Å; Y331-H335 AromaticContact CE2-CG 3.53Å; Y331-H335 AromaticContact CE2-ND1 3.51Å; Y331-H335 AromaticContact CE2-NE2 3.75Å; Y331-H335 AromaticContact CG-ND1 3.9Å; Y331-H335 AromaticContact CZ-CD2 3.96Å; Y331-H335 AromaticContact CZ-CG 3.67Å; Y331-H335 PolarHBondContact O-N 2.78Å; Y331-H335 PolarHBondContact O-ND1 2.9Å; Y331-L417 HydrophobicContact CD1-CD1 3.89Å; Y331-L417 HydrophobicContact CE1-CD1 3.93Å; Y331-E420 HydrophobicContact CE1-CG 4.22Å; Y331-E420 WeakPolarHBondContact CE1-OE1 3.41Å; Y331-E420 WeakPolarHBondContact OH-CG 3.06Å; Y331-E420 PolarHBondContact OH-OE1 2.68Å; Y331-I421 HydrophobicContact CD1-CD1 4.26Å; Y331-I421 HydrophobicContact CD1-CG1 3.55Å; Y331-I421 HydrophobicContact CD2-CB 4.37Å; Y331-I421 HydrophobicContact CD2-CG1 3.71Å; Y331-I421 HydrophobicContact CD2-CG2 4.45Å; Y331-I421 HydrophobicContact CE1-CG1 3.98Å; Y331-I421 HydrophobicContact CE2-CG1 4.12Å; Y331-I421 HydrophobicContact CG-CD1 4.16Å; Y331-I421 HydrophobicContact CG-CG1 3.42Å; Y331-I421 VanDerWaalsContact CG-CG1 3.42Å; Y331-V424 HydrophobicContact CE2-CB 4.31Å; Y331-V424 HydrophobicContact CE2-CG1 4.26Å; Y331-V424 WeakPolarHBondContact OH-CG2 3.42Å; Y331-T425 HydrophobicContact CD2-CG2 4.05Å; Y331-T425 HydrophobicContact CE2-CG2 3.87Å
332	L	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.2	-48.5	-172.4	-78.9	168.6	0	0	0	111.8	A328 Q334 H335 R336 W339 F387 F397 L417	A328-L332 VanDerWaalsContact O-CB 3.3Å; A328-L332 WeakPolarHBondContact O-CB 3.28Å; A328-L332 VanDerWaalsContact O-CG 3.28Å; A328-L332 WeakPolarHBondContact O-CG 3.25Å; A328-L332 PolarHBondContact O-N 2.66Å; L332-Q334 PolarHBondContact O-N 2.79Å; L332-Q334 VanDerWaalsContact O-N 3.12Å; L332-H335 CarbonylContact O-C 3.41Å; L332-H335 PolarHBondContact O-N 3.04Å; L332-R336 HydrophobicContact CD2-CG 4.11Å; L332-R336 VanDerWaalsContact O-CB 3.31Å; L332-R336 WeakPolarHBondContact O-CB 3.36Å; L332-R336 VanDerWaalsContact O-CG 3.23Å; L332-R336 WeakPolarHBondContact O-CG 3.47Å; L332-R336 PolarHBondContact O-N 2.92Å; L332-W339 HydrophobicContact CB-CH2 4.15Å; L332-W339 HydrophobicContact CB-CZ3 3.95Å; L332-W339 HydrophobicContact CD1-CH2 4.28Å; L332-W339 HydrophobicContact CD2-CH2 4.11Å; L332-W339 HydrophobicContact CG-CH2 4.43Å; L332-F387 HydrophobicContact CD1-CD2 3.79Å; L332-F387 HydrophobicContact CD1-CE2 4.34Å; L332-F397 HydrophobicContact CD1-CB 4Å; L332-F397 HydrophobicContact CD1-CD1 4.16Å; L332-F397 HydrophobicContact CD1-CD2 4.1Å; L332-F397 HydrophobicContact CD1-CG 3.85Å; L332-F397 HydrophobicContact CD2-CD2 3.89Å; L332-F397 HydrophobicContact CD2-CE2 3.91Å; L332-F397 HydrophobicContact CD2-CG 4.47Å; L332-L417 HydrophobicContact CD1-CD2 3.71Å; L332-L417 HydrophobicContact CD2-CD1 3.71Å; L332-L417 HydrophobicContact CD2-CD2 4.2Å; L332-L417 HydrophobicContact CG-CD1 4.09Å; L332-L417 HydrophobicContact CG-CD2 3.9Å
333	F	98.8	Very high	98.4	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.066	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.6	-176.8	-78.3	-92	0	0	0	114.1	I329 Y331 W339 V343 V345 L362 R364 F387	I329-F333 HydrophobicContact CG2-CD2 4.11Å; I329-F333 HydrophobicContact CG2-CE2 4.47Å; I329-F333 WeakPolarHBondContact O-CD2 3.42Å; I329-F333 PolarHBondContact O-N 2.78Å; Y331-F333 PolarHBondContact O-N 3.32Å; F333-W339 HydrophobicContact CD1-CE3 4.3Å; F333-W339 HydrophobicContact CD2-CZ3 4.24Å; F333-W339 HydrophobicContact CE1-CE3 4.08Å; F333-W339 HydrophobicContact CE1-CZ3 4.39Å; F333-W339 HydrophobicContact CE2-CE3 4.4Å; F333-W339 AromaticContact CE2-CZ3 3.9Å; F333-W339 HydrophobicContact CE2-CZ3 3.9Å; F333-W339 HydrophobicContact CZ-CE3 4.11Å; F333-W339 AromaticContact CZ-CZ3 3.98Å; F333-W339 HydrophobicContact CZ-CZ3 3.98Å; F333-V343 HydrophobicContact CE1-CG1 4.25Å; F333-V345 HydrophobicContact CD2-CG2 4.08Å; F333-V345 HydrophobicContact CE1-CG2 3.98Å; F333-V345 HydrophobicContact CE2-CG2 3.53Å; F333-V345 HydrophobicContact CZ-CG2 3.47Å; F333-V345 VanDerWaalsContact CZ-CG2 3.47Å; F333-L362 HydrophobicContact CB-CD1 3.85Å; F333-R364 HydrophobicContact CD1-CG 3.82Å; F333-R364 HydrophobicContact CE1-CG 4.47Å; F333-R364 HydrophobicContact CG-CG 4.41Å; F333-F387 HydrophobicContact CE2-CB 3.92Å; F333-F387 HydrophobicContact CZ-CB 4.45Å
334	Q	98.7	Very high	98.4	Very high	111 Å²	111	39.2 Å²	39.2	52%	0.519	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-17.8	170	-66.3	-179.9	86.5	0	0	113.1	N330 Y331 L332 L362	N330-Q334 WeakPolarHBondContact O-CG 3.46Å; N330-Q334 PolarHBondContact O-NE2 2.84Å; N330-Q334 PolarHBondContact OD1-NE2 2.88Å; N330-Q334 VanDerWaalsContact OD1-NE2 3.15Å; Y331-Q334 PolarHBondContact O-N 2.95Å; L332-Q334 PolarHBondContact O-N 2.79Å; L332-Q334 VanDerWaalsContact O-N 3.12Å; Q334-L362 HydrophobicContact CG-CD2 3.47Å; Q334-L362 VanDerWaalsContact CG-CD2 3.47Å
335	H	98.8	Very high	98.4	Very high	71 Å²	71	39.1 Å²	39.1	33%	0.329	21%	0.207	S	C	.	.	S	Bend	trans	-122.1	20.2	-173.1	-61.4	78.3	0	0	0	113.3	Y331 L332	Y331-H335 HydrophobicContact CD1-CB 4.42Å; Y331-H335 AromaticContact CD2-CE1 3.61Å; Y331-H335 AromaticContact CD2-CG 3.93Å; Y331-H335 AromaticContact CD2-ND1 3.43Å; Y331-H335 WeakPolarHBondContact CD2-ND1 3.46Å; Y331-H335 HydrophobicContact CE1-CB 3.94Å; Y331-H335 HydrophobicContact CE2-CB 4.16Å; Y331-H335 AromaticContact CE2-CD2 3.65Å; Y331-H335 AromaticContact CE2-CE1 3.65Å; Y331-H335 AromaticContact CE2-CG 3.53Å; Y331-H335 AromaticContact CE2-ND1 3.51Å; Y331-H335 AromaticContact CE2-NE2 3.75Å; Y331-H335 AromaticContact CG-ND1 3.9Å; Y331-H335 AromaticContact CZ-CD2 3.96Å; Y331-H335 AromaticContact CZ-CG 3.67Å; Y331-H335 PolarHBondContact O-N 2.78Å; Y331-H335 PolarHBondContact O-ND1 2.9Å; L332-H335 CarbonylContact O-C 3.41Å; L332-H335 PolarHBondContact O-N 3.04Å
336	R	98.7	Very high	98.4	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.015	21%	0.208	C	C	.	.			trans	-128.1	73.2	174.3	-64	-66	-177.6	-87.8	8.3	109.8	I218 L332 Q338 W339 F400 E420	I218-R336 PolarHBondContact O-NH2 3.49Å; L332-R336 HydrophobicContact CD2-CG 4.11Å; L332-R336 VanDerWaalsContact O-CB 3.31Å; L332-R336 WeakPolarHBondContact O-CB 3.36Å; L332-R336 VanDerWaalsContact O-CG 3.23Å; L332-R336 WeakPolarHBondContact O-CG 3.47Å; L332-R336 PolarHBondContact O-N 2.92Å; R336-Q338 PolarHBondContact O-N 3.39Å; R336-Q338 VanDerWaalsContact O-N 3.17Å; R336-W339 HydrophobicContact CB-CB 4.28Å; R336-W339 HydrophobicContact CB-CD2 3.44Å; R336-W339 VanDerWaalsContact CB-CD2 3.44Å; R336-W339 HydrophobicContact CB-CE3 3.76Å; R336-W339 HydrophobicContact CB-CG 3.7Å; R336-W339 HydrophobicContact CB-CH2 4.49Å; R336-W339 HydrophobicContact CB-CZ2 4.23Å; R336-W339 HydrophobicContact CB-CZ3 4.28Å; R336-W339 HydrophobicContact CG-CD2 3.93Å; R336-W339 HydrophobicContact CG-CE3 4.08Å; R336-W339 HydrophobicContact CG-CH2 3.93Å; R336-W339 HydrophobicContact CG-CZ2 3.76Å; R336-W339 HydrophobicContact CG-CZ3 4.09Å; R336-W339 WeakPolarHBondContact O-CB 3.17Å; R336-W339 PolarHBondContact O-N 2.69Å; R336-F400 VanDerWaalsContact CD-CD1 3.48Å; R336-E420 IonicContact CZ-OE1 2.67Å; R336-E420 IonicContact CZ-OE2 3.16Å; R336-E420 IonicContact NH1-OE1 2.87Å; R336-E420 PolarHBondContact NH1-OE1 3.31Å; R336-E420 IonicContact NH1-OE2 2.88Å; R336-E420 IonicContact NH2-OE1 3.5Å; R336-E420 PolarHBondContact NH2-OE1 3.21Å; R336-E420 IonicContact NH2-OE2 2.69Å; R336-E420 PolarHBondContact NH2-OE2 2.91Å
337	P	98.2	Very high	98.4	Very high	120 Å²	120	39.3 Å²	39.3	78%	0.779	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.4	-172.6	26.3	-35.4	0	0	0	113.9	W339	P337-W339 VanDerWaalsContact C-N 3.3Å
338	Q	98.3	Very high	98.4	Very high	110 Å²	110	39.3 Å²	39.3	51%	0.514	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.5	176.1	-52.6	86.2	-17.8	0	0	112.7	R336 G340 F400	R336-Q338 PolarHBondContact O-N 3.39Å; R336-Q338 VanDerWaalsContact O-N 3.17Å; Q338-G340 PolarHBondContact O-N 2.89Å; Q338-F400 VanDerWaalsContact CB-O 3.27Å; Q338-F400 WeakPolarHBondContact CB-O 3.28Å; Q338-F400 PolarHBondContact OE1-O 2.82Å
339	W	98.7	Very high	98.3	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.023	21%	0.208	C	C	.	.	S	Bend	trans	-74.6	100.9	177.4	-66.7	2.3	0	0	0	110.2	L332 F333 R336 P337 V343 R364 G386 F397 L398 R399	L332-W339 HydrophobicContact CB-CH2 4.15Å; L332-W339 HydrophobicContact CB-CZ3 3.95Å; L332-W339 HydrophobicContact CD1-CH2 4.28Å; L332-W339 HydrophobicContact CD2-CH2 4.11Å; L332-W339 HydrophobicContact CG-CH2 4.43Å; F333-W339 HydrophobicContact CD1-CE3 4.3Å; F333-W339 HydrophobicContact CD2-CZ3 4.24Å; F333-W339 HydrophobicContact CE1-CE3 4.08Å; F333-W339 HydrophobicContact CE1-CZ3 4.39Å; F333-W339 HydrophobicContact CE2-CE3 4.4Å; F333-W339 AromaticContact CE2-CZ3 3.9Å; F333-W339 HydrophobicContact CE2-CZ3 3.9Å; F333-W339 HydrophobicContact CZ-CE3 4.11Å; F333-W339 AromaticContact CZ-CZ3 3.98Å; F333-W339 HydrophobicContact CZ-CZ3 3.98Å; R336-W339 HydrophobicContact CB-CB 4.28Å; R336-W339 HydrophobicContact CB-CD2 3.44Å; R336-W339 VanDerWaalsContact CB-CD2 3.44Å; R336-W339 HydrophobicContact CB-CE3 3.76Å; R336-W339 HydrophobicContact CB-CG 3.7Å; R336-W339 HydrophobicContact CB-CH2 4.49Å; R336-W339 HydrophobicContact CB-CZ2 4.23Å; R336-W339 HydrophobicContact CB-CZ3 4.28Å; R336-W339 HydrophobicContact CG-CD2 3.93Å; R336-W339 HydrophobicContact CG-CE3 4.08Å; R336-W339 HydrophobicContact CG-CH2 3.93Å; R336-W339 HydrophobicContact CG-CZ2 3.76Å; R336-W339 HydrophobicContact CG-CZ3 4.09Å; R336-W339 WeakPolarHBondContact O-CB 3.17Å; R336-W339 PolarHBondContact O-N 2.69Å; P337-W339 VanDerWaalsContact C-N 3.3Å; W339-V343 HydrophobicContact CB-CB 4.38Å; W339-V343 HydrophobicContact CB-CG1 4.42Å; W339-V343 HydrophobicContact CB-CG2 4.27Å; W339-R364 PolarHBondContact O-NH2 3.25Å; W339-G386 VanDerWaalsContact CH2-O 3.27Å; W339-G386 WeakPolarHBondContact CH2-O 3.48Å; W339-F397 HydrophobicContact CH2-CB 4.2Å; W339-F397 HydrophobicContact CH2-CD2 4.27Å; W339-F397 HydrophobicContact CZ2-CD2 4.39Å; W339-L398 HydrophobicContact CZ2-CB 3.83Å; W339-L398 WeakPolarHBondContact CZ2-O 3.3Å; W339-R399 PolarHBondContact NE1-O 2.98Å
340	G	96.3	Very high	98.2	Very high	41 Å²	41	39.2 Å²	39.2	42%	0.423	21%	0.208	S	C	.	.			trans	-53.8	160.5	-179.2	0	0	0	0	0	113.1	Q338 D342 V343 R364	Q338-G340 PolarHBondContact O-N 2.89Å; G340-D342 PolarHBondContact O-N 2.91Å; G340-V343 WeakPolarHBondContact O-CB 3.22Å; G340-V343 WeakPolarHBondContact O-CG2 3.21Å; G340-V343 PolarHBondContact O-N 3.36Å; G340-R364 PolarHBondContact O-NH1 3.42Å
341	K	95.9	Very high	98.2	Very high	169 Å²	169	38.5 Å²	38.5	74%	0.735	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.5	-176.3	66.5	179.3	-174.3	174.4	0	114.5	V343 R364	K341-V343 VanDerWaalsContact C-N 3.34Å; K341-R364 PolarHBondContact O-NH1 3.18Å
342	D	96.2	Very high	98.1	Very high	130 Å²	130	38.2 Å²	38.2	70%	0.695	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-7.8	-174.9	-56.2	-49.9	0	0	0	112.9	G340 A344	G340-D342 PolarHBondContact O-N 2.91Å; D342-A344 PolarHBondContact O-N 3.09Å
343	V	98.7	Very high	98.1	Very high	18 Å²	18	38.9 Å²	38.9	11%	0.109	21%	0.208	C	C	.	.			trans	-69.9	120.6	172.3	-178.2	0	0	0	0	109.3	F333 W339 G340 K341 R364 L398	F333-V343 HydrophobicContact CE1-CG1 4.25Å; W339-V343 HydrophobicContact CB-CB 4.38Å; W339-V343 HydrophobicContact CB-CG1 4.42Å; W339-V343 HydrophobicContact CB-CG2 4.27Å; G340-V343 WeakPolarHBondContact O-CB 3.22Å; G340-V343 WeakPolarHBondContact O-CG2 3.21Å; G340-V343 PolarHBondContact O-N 3.36Å; K341-V343 VanDerWaalsContact C-N 3.34Å; V343-R364 PolarHBondContact O-NH1 3.43Å; V343-L398 HydrophobicContact CG1-CD1 4.3Å
344	A	98.8	Very high	98.1	Very high	3 Å²	3	38.1 Å²	38.1	3%	0.025	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	173.1	-172.3	0	0	0	0	0	113.2	D342 K365 V367 S384 F385 G386	D342-A344 PolarHBondContact O-N 3.09Å; A344-K365 WeakPolarHBondContact CA-O 3.39Å; A344-K365 HydrophobicContact CB-CB 3.95Å; A344-K365 HydrophobicContact CB-CD 4.28Å; A344-K365 HydrophobicContact CB-CG 4.24Å; A344-K365 WeakPolarHBondContact CB-O 3.33Å; A344-V367 HydrophobicContact CB-CG2 4.03Å; A344-S384 PolarHBondContact N-O 2.81Å; A344-F385 HydrophobicContact CB-CD1 4.12Å; A344-F385 HydrophobicContact CB-CE1 4.45Å; A344-F385 WeakPolarHBondContact O-CA 3.09Å; A344-G386 PolarHBondContact O-N 2.98Å
345	V	98.9	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.2	176.8	-172.8	0	0	0	0	109.9	I329 F333 V359 K365 L366 V367 F387	I329-V345 HydrophobicContact CD1-CG1 3.77Å; I329-V345 HydrophobicContact CG1-CG1 4.07Å; I329-V345 HydrophobicContact CG2-CG1 3.98Å; I329-V345 HydrophobicContact CG2-CG2 4.15Å; F333-V345 HydrophobicContact CD2-CG2 4.08Å; F333-V345 HydrophobicContact CE1-CG2 3.98Å; F333-V345 HydrophobicContact CE2-CG2 3.53Å; F333-V345 HydrophobicContact CZ-CG2 3.47Å; F333-V345 VanDerWaalsContact CZ-CG2 3.47Å; V345-V359 HydrophobicContact CB-CG1 4.35Å; V345-V359 HydrophobicContact CB-CG2 3.86Å; V345-V359 HydrophobicContact CG1-CG2 3.87Å; V345-V359 HydrophobicContact CG2-CG1 4.11Å; V345-V359 HydrophobicContact CG2-CG2 3.73Å; V345-K365 PolarHBondContact N-O 3.1Å; V345-L366 HydrophobicContact CB-CD1 4.38Å; V345-L366 HydrophobicContact CG1-CD1 4.4Å; V345-V367 PolarHBondContact O-N 3.44Å; V345-F387 HydrophobicContact CG1-CD1 4.38Å
346	G	98.8	Very high	98	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.6	171.3	0	0	0	0	0	111.9	F387 G389	G346-F387 WeakPolarHBondContact CA-O 3.37Å; G346-F387 PolarHBondContact N-O 3.01Å; G346-G389 PolarHBondContact O-N 3.3Å
347	K	98.7	Very high	98	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.3	-178.9	179.5	-147.9	166.1	-164.1	0	110.7	S351 S352 I355 D356 L366 V367 E368 V369	K347-S351 WeakPolarHBondContact CE-O 3.49Å; K347-S351 PolarHBondContact NZ-O 3.32Å; K347-S352 WeakPolarHBondContact CE-O 3.33Å; K347-I355 HydrophobicContact CB-CG2 4.31Å; K347-I355 HydrophobicContact CD-CB 4.18Å; K347-I355 HydrophobicContact CD-CD1 4.49Å; K347-I355 HydrophobicContact CD-CG2 4.04Å; K347-I355 HydrophobicContact CG-CB 4.4Å; K347-I355 HydrophobicContact CG-CD1 3.96Å; K347-I355 HydrophobicContact CG-CG2 4.04Å; K347-D356 WeakPolarHBondContact CE-OD2 3.2Å; K347-D356 IonicContact NZ-OD1 2.81Å; K347-D356 IonicContact NZ-OD2 3.12Å; K347-D356 PolarHBondContact NZ-OD2 3.45Å; K347-L366 HydrophobicContact CB-CD1 3.88Å; K347-L366 HydrophobicContact CD-CD1 4.2Å; K347-L366 HydrophobicContact CD-CD2 4.38Å; K347-V367 PolarHBondContact N-O 3.3Å; K347-E368 IonicContact NZ-OE2 3.82Å; K347-E368 PolarHBondContact NZ-OE2 3.3Å; K347-E368 CarbonylContact O-C 3.54Å; K347-E368 VanDerWaalsContact O-CA 3.31Å; K347-E368 WeakPolarHBondContact O-CA 3.17Å; K347-V369 PolarHBondContact O-N 2.96Å
348	T	98.2	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	143.6	168.3	62.8	0	0	0	0	110.5	V350 S351 V369 F376 E390 E391	T348-V350 PolarHBondContact O-N 2.97Å; T348-S351 WeakPolarHBondContact O-CB 3.35Å; T348-S351 PolarHBondContact O-N 3.29Å; T348-S351 PolarHBondContact OG1-OG 2.96Å; T348-V369 WeakPolarHBondContact CA-O 3.31Å; T348-F376 HydrophobicContact CG2-CE2 4.04Å; T348-F376 HydrophobicContact CG2-CZ 3.89Å; T348-E390 HydrophobicContact CG2-CB 4.26Å; T348-E390 HydrophobicContact CG2-CG 3.8Å; T348-E391 PolarHBondContact OG1-OE2 3.3Å
349	L	97.6	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.6	-176	73.4	126.3	0	0	0	116.1	E368 V369 P370 I492 K496 A505	L349-E368 VanDerWaalsContact CA-CD 3.5Å; L349-E368 HydrophobicContact CB-CG 3.7Å; L349-E368 WeakPolarHBondContact CB-OE1 3.31Å; L349-V369 WeakPolarHBondContact CD2-O 3.28Å; L349-V369 PolarHBondContact N-O 2.89Å; L349-P370 VanDerWaalsContact CD2-CA 3.41Å; L349-P370 HydrophobicContact CD2-CB 4.42Å; L349-I492 HydrophobicContact CD1-CD1 3.88Å; L349-I492 HydrophobicContact CD1-CG1 4.29Å; L349-I492 HydrophobicContact CD1-CG2 3.84Å; L349-I492 HydrophobicContact CD2-CB 4.45Å; L349-I492 HydrophobicContact CD2-CD1 4.32Å; L349-I492 HydrophobicContact CD2-CG1 3.92Å; L349-I492 HydrophobicContact CD2-CG2 3.92Å; L349-K496 HydrophobicContact CB-CD 4.13Å; L349-K496 HydrophobicContact CD1-CB 3.88Å; L349-K496 HydrophobicContact CD1-CD 3.63Å; L349-K496 HydrophobicContact CD1-CG 4.31Å; L349-K496 HydrophobicContact CG-CD 4.46Å; L349-K496 WeakPolarHBondContact O-CE 3.38Å; L349-K496 PolarHBondContact O-NZ 2.84Å; L349-A505 HydrophobicContact CD1-CB 4.07Å
350	V	97	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-0.4	179.4	-62.8	0	0	0	0	112.3	T348 V371 E391 Y445 W503 A505 Y518	T348-V350 PolarHBondContact O-N 2.97Å; V350-V371 HydrophobicContact CG1-CG2 4.14Å; V350-V371 HydrophobicContact CG2-CG2 3.51Å; V350-E391 HydrophobicContact CG2-CG 4.19Å; V350-E391 WeakPolarHBondContact CG2-OE1 3.44Å; V350-E391 VanDerWaalsContact CG2-OE2 3.31Å; V350-E391 WeakPolarHBondContact CG2-OE2 3.2Å; V350-Y445 WeakPolarHBondContact O-CE2 3.3Å; V350-Y445 PolarHBondContact O-OH 2.9Å; V350-W503 HydrophobicContact CB-CH2 4.21Å; V350-W503 VanDerWaalsContact O-CH2 3.29Å; V350-W503 WeakPolarHBondContact O-CH2 3.28Å; V350-A505 HydrophobicContact CG1-CB 3.82Å; V350-Y518 HydrophobicContact CB-CD1 4.18Å; V350-Y518 HydrophobicContact CB-CD2 4.17Å; V350-Y518 HydrophobicContact CB-CG 3.89Å; V350-Y518 HydrophobicContact CG1-CD2 3.64Å; V350-Y518 HydrophobicContact CG1-CE2 4.17Å; V350-Y518 HydrophobicContact CG1-CG 3.85Å
351	S	97.9	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-73.5	155.5	166.5	-64.1	0	0	0	0	111	N322 K347 T348 E391	N322-S351 WeakPolarHBondContact OD1-CA 3.28Å; K347-S351 WeakPolarHBondContact CE-O 3.49Å; K347-S351 PolarHBondContact NZ-O 3.32Å; T348-S351 WeakPolarHBondContact O-CB 3.35Å; T348-S351 PolarHBondContact O-N 3.29Å; T348-S351 PolarHBondContact OG1-OG 2.96Å; S351-E391 PolarHBondContact OG-N 3.43Å
352	S	98.2	Very high	98.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	14%	0.135	C	C	.	.			trans	-53.6	140.1	-175.6	177.7	0	0	0	0	112.8	N322 K347 M354 I355 E520	N322-S352 PolarHBondContact OD1-N 2.92Å; K347-S352 WeakPolarHBondContact CE-O 3.33Å; S352-M354 PolarHBondContact O-N 3.48Å; S352-M354 VanDerWaalsContact OG-CB 3.29Å; S352-M354 WeakPolarHBondContact OG-CB 3.3Å; S352-M354 PolarHBondContact OG-N 2.95Å; S352-I355 WeakPolarHBondContact O-CB 3.23Å; S352-I355 PolarHBondContact O-N 2.93Å; S352-E520 WeakPolarHBondContact CA-OE1 3.21Å; S352-E520 WeakPolarHBondContact CB-OE1 3.42Å; S352-E520 PolarHBondContact OG-OE1 3.25Å
353	A	98.1	Very high	98.4	Very high	14 Å²	14	22.7 Å²	22.7	12%	0.116	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-0.3	172.1	0	0	0	0	0	113.1	I355 D356 R357 E520 F522	A353-I355 PolarHBondContact O-N 2.94Å; A353-D356 VanDerWaalsContact CA-OD2 3.29Å; A353-D356 WeakPolarHBondContact CA-OD2 3.33Å; A353-D356 WeakPolarHBondContact O-CB 3.32Å; A353-D356 PolarHBondContact O-N 2.87Å; A353-R357 PolarHBondContact O-N 2.83Å; A353-E520 PolarHBondContact N-OE2 3.15Å; A353-F522 HydrophobicContact CB-CE2 4.03Å
354	M	98.6	Very high	98.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.5	-34	163.4	-176.4	61.7	76.4	0	0	110.6	A326 S352 D356 R357 V358 Y433 L436 F440 G441 P443 F522	A326-M354 HydrophobicContact CB-CB 4.23Å; A326-M354 HydrophobicContact CB-CG 3.68Å; S352-M354 PolarHBondContact O-N 3.48Å; S352-M354 VanDerWaalsContact OG-CB 3.29Å; S352-M354 WeakPolarHBondContact OG-CB 3.3Å; S352-M354 PolarHBondContact OG-N 2.95Å; M354-D356 VanDerWaalsContact C-N 3.33Å; M354-D356 PolarHBondContact O-N 3.45Å; M354-R357 PolarHBondContact O-N 2.59Å; M354-V358 HydrophobicContact CG-CG2 4.45Å; M354-V358 WeakPolarHBondContact O-CG2 3.43Å; M354-V358 PolarHBondContact O-N 2.61Å; M354-Y433 HydrophobicContact CE-CE2 4.5Å; M354-Y433 HydrophobicContact CG-CE2 4.33Å; M354-L436 HydrophobicContact SD-CB 4.15Å; M354-F440 HydrophobicContact CE-CB 4.08Å; M354-F440 HydrophobicContact SD-CB 3.87Å; M354-F440 HydrophobicContact SD-CD2 3.8Å; M354-F440 HydrophobicContact SD-CG 4.24Å; M354-G441 VanDerWaalsContact CE-O 3.24Å; M354-G441 WeakPolarHBondContact CE-O 3.15Å; M354-P443 HydrophobicContact CE-CG 4.15Å; M354-F522 HydrophobicContact CB-CZ 4.31Å; M354-F522 HydrophobicContact CE-CE1 3.91Å; M354-F522 HydrophobicContact CE-CZ 4.49Å
355	I	98.7	Very high	98.4	Very high	3 Å²	3	31 Å²	31	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-45.3	175.2	-63.7	170.7	0	0	0	110	L325 A326 I329 K347 S352 A353 R357 V358 V359 L366	L325-I355 HydrophobicContact CB-CD1 4.15Å; L325-I355 HydrophobicContact CD1-CD1 4.46Å; A326-I355 HydrophobicContact CB-CG1 4.32Å; I329-I355 HydrophobicContact CD1-CB 4.46Å; I329-I355 HydrophobicContact CD1-CD1 4.23Å; I329-I355 HydrophobicContact CD1-CG1 4.08Å; I329-I355 HydrophobicContact CD1-CG2 3.65Å; K347-I355 HydrophobicContact CB-CG2 4.31Å; K347-I355 HydrophobicContact CD-CB 4.18Å; K347-I355 HydrophobicContact CD-CD1 4.49Å; K347-I355 HydrophobicContact CD-CG2 4.04Å; K347-I355 HydrophobicContact CG-CB 4.4Å; K347-I355 HydrophobicContact CG-CD1 3.96Å; K347-I355 HydrophobicContact CG-CG2 4.04Å; S352-I355 WeakPolarHBondContact O-CB 3.23Å; S352-I355 PolarHBondContact O-N 2.93Å; A353-I355 PolarHBondContact O-N 2.94Å; I355-R357 VanDerWaalsContact C-N 3.31Å; I355-R357 PolarHBondContact O-N 3.37Å; I355-V358 PolarHBondContact O-N 2.96Å; I355-V359 HydrophobicContact CG2-CG2 4.04Å; I355-V359 WeakPolarHBondContact O-CB 3.37Å; I355-V359 VanDerWaalsContact O-CG2 3.25Å; I355-V359 WeakPolarHBondContact O-CG2 3.35Å; I355-V359 PolarHBondContact O-N 2.84Å; I355-L366 HydrophobicContact CG2-CD1 3.98Å
356	D	98.4	Very high	98.4	Very high	42 Å²	42	33.4 Å²	33.4	23%	0.225	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-44.4	179.1	-52.6	-137.9	0	0	0	111.1	K347 A353 M354 N360 L366	K347-D356 WeakPolarHBondContact CE-OD2 3.2Å; K347-D356 IonicContact NZ-OD1 2.81Å; K347-D356 IonicContact NZ-OD2 3.12Å; K347-D356 PolarHBondContact NZ-OD2 3.45Å; A353-D356 VanDerWaalsContact CA-OD2 3.29Å; A353-D356 WeakPolarHBondContact CA-OD2 3.33Å; A353-D356 WeakPolarHBondContact O-CB 3.32Å; A353-D356 PolarHBondContact O-N 2.87Å; M354-D356 VanDerWaalsContact C-N 3.33Å; M354-D356 PolarHBondContact O-N 3.45Å; D356-N360 WeakPolarHBondContact O-CB 3.15Å; D356-N360 PolarHBondContact O-N 3Å; D356-L366 HydrophobicContact CB-CD2 4.07Å
357	R	98.3	Very high	98.4	Very high	71 Å²	71	33.7 Å²	33.7	27%	0.268	18%	0.182	S	C	.	.	H	α-helix	trans	-64.3	-45.5	178.2	-64.1	-179.4	-172.7	-156.2	-5.6	111.7	A353 M354 I355 D361 F440 F522	A353-R357 PolarHBondContact O-N 2.83Å; M354-R357 PolarHBondContact O-N 2.59Å; I355-R357 VanDerWaalsContact C-N 3.31Å; I355-R357 PolarHBondContact O-N 3.37Å; R357-D361 WeakPolarHBondContact O-CB 3.2Å; R357-D361 PolarHBondContact O-N 3.37Å; R357-F440 HydrophobicContact CB-CD1 4.07Å; R357-F440 HydrophobicContact CB-CD2 4.31Å; R357-F440 HydrophobicContact CB-CE1 4.36Å; R357-F440 HydrophobicContact CB-CG 4.05Å; R357-F440 PolarHBondContact NH1-O 3.2Å; R357-F522 VanDerWaalsContact CZ-CG 3.42Å; R357-F522 VanDerWaalsContact NH1-CE1 3.31Å; R357-F522 VanDerWaalsContact NH2-CG 3.3Å
358	V	98.8	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-50	176.4	166.2	0	0	0	0	111.2	I329 N330 M354 I355 N360 D361 L362 L436 F440	I329-V358 HydrophobicContact CG2-CG1 4.12Å; N330-V358 HydrophobicContact CB-CG1 3.64Å; N330-V358 HydrophobicContact CB-CG2 4.49Å; M354-V358 HydrophobicContact CG-CG2 4.45Å; M354-V358 WeakPolarHBondContact O-CG2 3.43Å; M354-V358 PolarHBondContact O-N 2.61Å; I355-V358 PolarHBondContact O-N 2.96Å; V358-N360 VanDerWaalsContact C-N 3.32Å; V358-N360 PolarHBondContact O-N 3.3Å; V358-D361 PolarHBondContact O-N 2.85Å; V358-L362 HydrophobicContact CG1-CD1 3.9Å; V358-L362 VanDerWaalsContact O-CG 3.29Å; V358-L362 WeakPolarHBondContact O-CG 3.13Å; V358-L362 PolarHBondContact O-N 2.81Å; V358-L436 HydrophobicContact CG2-CD1 3.94Å; V358-L436 HydrophobicContact CG2-CD2 3.92Å; V358-F440 HydrophobicContact CG2-CE2 4.43Å
359	V	98.8	Very high	98.4	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-38.3	-176.6	174.4	0	0	0	0	111.5	I329 V345 I355 L362 G363 R364 L366	I329-V359 HydrophobicContact CG2-CG2 3.79Å; V345-V359 HydrophobicContact CB-CG1 4.35Å; V345-V359 HydrophobicContact CB-CG2 3.86Å; V345-V359 HydrophobicContact CG1-CG2 3.87Å; V345-V359 HydrophobicContact CG2-CG1 4.11Å; V345-V359 HydrophobicContact CG2-CG2 3.73Å; I355-V359 HydrophobicContact CG2-CG2 4.04Å; I355-V359 WeakPolarHBondContact O-CB 3.37Å; I355-V359 VanDerWaalsContact O-CG2 3.25Å; I355-V359 WeakPolarHBondContact O-CG2 3.35Å; I355-V359 PolarHBondContact O-N 2.84Å; V359-L362 PolarHBondContact O-N 3.03Å; V359-G363 PolarHBondContact O-N 3.26Å; V359-R364 HydrophobicContact CG1-CB 3.94Å; V359-R364 WeakPolarHBondContact CG1-O 3.32Å; V359-R364 PolarHBondContact O-N 3.49Å; V359-L366 HydrophobicContact CB-CB 4.48Å; V359-L366 HydrophobicContact CB-CD1 4.32Å; V359-L366 HydrophobicContact CG1-CB 3.83Å; V359-L366 HydrophobicContact CG1-CD1 4.3Å; V359-L366 HydrophobicContact CG2-CD1 4.06Å
360	N	98.4	Very high	98.3	Very high	131 Å²	131	34.4 Å²	34.4	70%	0.701	19%	0.186	S	C	*	.	H	α-helix	trans	-65.4	-43.1	173.7	-178.3	77.4	0	0	0	112.4	D356 V358 L362 G363	D356-N360 WeakPolarHBondContact O-CB 3.15Å; D356-N360 PolarHBondContact O-N 3Å; V358-N360 VanDerWaalsContact C-N 3.32Å; V358-N360 PolarHBondContact O-N 3.3Å; N360-L362 VanDerWaalsContact C-N 3.27Å; N360-L362 PolarHBondContact O-N 3.47Å; N360-G363 PolarHBondContact O-N 3.43Å
361	D	98.6	Very high	98.1	Very high	79 Å²	79	36 Å²	36	42%	0.422	20%	0.195	S	C	.	.	H	α-helix	trans	-61.3	-35.8	176.7	-174.2	76.7	0	0	0	112.4	R357 V358 G363 R439 F440	R357-D361 WeakPolarHBondContact O-CB 3.2Å; R357-D361 PolarHBondContact O-N 3.37Å; V358-D361 PolarHBondContact O-N 2.85Å; D361-G363 PolarHBondContact O-N 2.91Å; D361-R439 IonicContact OD1-NH2 3.58Å; D361-R439 PolarHBondContact OD1-NH2 2.97Å; D361-R439 IonicContact OD2-CZ 2.65Å; D361-R439 IonicContact OD2-NH1 3.41Å; D361-R439 IonicContact OD2-NH2 3.61Å; D361-R439 PolarHBondContact OD2-NH2 3.18Å; D361-F440 HydrophobicContact CB-CZ 3.91Å
362	L	98.6	Very high	97.8	Very high	41 Å²	41	36.7 Å²	36.7	22%	0.215	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.6	175	-66.4	170.8	0	0	0	113.9	F333 Q334 V358 V359 N360 R364	F333-L362 HydrophobicContact CB-CD1 3.85Å; Q334-L362 HydrophobicContact CG-CD2 3.47Å; Q334-L362 VanDerWaalsContact CG-CD2 3.47Å; V358-L362 HydrophobicContact CG1-CD1 3.9Å; V358-L362 VanDerWaalsContact O-CG 3.29Å; V358-L362 WeakPolarHBondContact O-CG 3.13Å; V358-L362 PolarHBondContact O-N 2.81Å; V359-L362 PolarHBondContact O-N 3.03Å; N360-L362 VanDerWaalsContact C-N 3.27Å; N360-L362 PolarHBondContact O-N 3.47Å; L362-R364 VanDerWaalsContact C-N 3.25Å; L362-R364 HydrophobicContact CB-CB 4.45Å; L362-R364 HydrophobicContact CB-CG 4.04Å; L362-R364 PolarHBondContact O-N 3.23Å
363	G	98.3	Very high	97.6	Very high	68 Å²	68	37 Å²	37	70%	0.701	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	29.4	-174.2	0	0	0	0	0	113.5	V359 N360 D361	V359-G363 PolarHBondContact O-N 3.26Å; N360-G363 PolarHBondContact O-N 3.43Å; D361-G363 PolarHBondContact O-N 2.91Å
364	R	98.6	Very high	97.4	Very high	51 Å²	51	38.2 Å²	38.2	19%	0.192	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-99.7	160.1	-179.7	-71.6	-67.7	-173.1	159.3	1.2	111.3	F333 W339 G340 K341 V343 V359 L362	F333-R364 HydrophobicContact CD1-CG 3.82Å; F333-R364 HydrophobicContact CE1-CG 4.47Å; F333-R364 HydrophobicContact CG-CG 4.41Å; W339-R364 PolarHBondContact O-NH2 3.25Å; G340-R364 PolarHBondContact O-NH1 3.42Å; K341-R364 PolarHBondContact O-NH1 3.18Å; V343-R364 PolarHBondContact O-NH1 3.43Å; V359-R364 HydrophobicContact CG1-CB 3.94Å; V359-R364 WeakPolarHBondContact CG1-O 3.32Å; V359-R364 PolarHBondContact O-N 3.49Å; L362-R364 VanDerWaalsContact C-N 3.25Å; L362-R364 HydrophobicContact CB-CB 4.45Å; L362-R364 HydrophobicContact CB-CG 4.04Å; L362-R364 PolarHBondContact O-N 3.23Å
365	K	98.6	Very high	97.3	Very high	146 Å²	146	41.9 Å²	41.9	64%	0.635	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-80.6	124.5	176.1	-176.7	-179.7	178.2	-173.1	0	110.1	A344 V345 V367	A344-K365 WeakPolarHBondContact CA-O 3.39Å; A344-K365 HydrophobicContact CB-CB 3.95Å; A344-K365 HydrophobicContact CB-CD 4.28Å; A344-K365 HydrophobicContact CB-CG 4.24Å; A344-K365 WeakPolarHBondContact CB-O 3.33Å; V345-K365 PolarHBondContact N-O 3.1Å; K365-V367 HydrophobicContact CD-CG2 4.32Å; K365-V367 HydrophobicContact CG-CG2 4.23Å
366	L	98.8	Very high	97.3	Very high	50 Å²	50	41.8 Å²	41.8	26%	0.262	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.1	168	-172.6	70.1	0	0	0	109.9	V345 K347 I355 D356 V359	V345-L366 HydrophobicContact CB-CD1 4.38Å; V345-L366 HydrophobicContact CG1-CD1 4.4Å; K347-L366 HydrophobicContact CB-CD1 3.88Å; K347-L366 HydrophobicContact CD-CD1 4.2Å; K347-L366 HydrophobicContact CD-CD2 4.38Å; I355-L366 HydrophobicContact CG2-CD1 3.98Å; D356-L366 HydrophobicContact CB-CD2 4.07Å; V359-L366 HydrophobicContact CB-CB 4.48Å; V359-L366 HydrophobicContact CB-CD1 4.32Å; V359-L366 HydrophobicContact CG1-CB 3.83Å; V359-L366 HydrophobicContact CG1-CD1 4.3Å; V359-L366 HydrophobicContact CG2-CD1 4.06Å
367	V	98.7	Very high	97.3	Very high	7 Å²	7	40 Å²	40	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	96.6	173.1	-172.8	0	0	0	0	108.5	A344 V345 K347 K365 V369 F385	A344-V367 HydrophobicContact CB-CG2 4.03Å; V345-V367 PolarHBondContact O-N 3.44Å; K347-V367 PolarHBondContact N-O 3.3Å; K365-V367 HydrophobicContact CD-CG2 4.32Å; K365-V367 HydrophobicContact CG-CG2 4.23Å; V367-V369 HydrophobicContact CG1-CG1 4.16Å; V367-F385 HydrophobicContact CB-CE1 3.96Å; V367-F385 HydrophobicContact CB-CZ 3.95Å; V367-F385 HydrophobicContact CG1-CE1 4.1Å; V367-F385 HydrophobicContact CG1-CZ 3.71Å; V367-F385 HydrophobicContact CG2-CE1 3.79Å; V367-F385 HydrophobicContact CG2-CZ 4.26Å
368	E	98.4	Very high	97.3	Very high	10 Å²	10	41.9 Å²	41.9	5%	0.047	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.1	178.4	-172.2	170.3	104.4	0	0	111	K347 L349 G487 K496	K347-E368 IonicContact NZ-OE2 3.82Å; K347-E368 PolarHBondContact NZ-OE2 3.3Å; K347-E368 CarbonylContact O-C 3.54Å; K347-E368 VanDerWaalsContact O-CA 3.31Å; K347-E368 WeakPolarHBondContact O-CA 3.17Å; L349-E368 VanDerWaalsContact CA-CD 3.5Å; L349-E368 HydrophobicContact CB-CG 3.7Å; L349-E368 WeakPolarHBondContact CB-OE1 3.31Å; E368-G487 WeakPolarHBondContact O-CA 3.34Å; E368-G487 PolarHBondContact O-N 2.97Å; E368-K496 IonicContact OE1-NZ 3.26Å; E368-K496 PolarHBondContact OE1-NZ 3.42Å; E368-K496 IonicContact OE2-NZ 2.88Å; E368-K496 PolarHBondContact OE2-NZ 3.42Å
369	V	98.3	Very high	97.3	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	166.4	-174.5	-59.5	0	0	0	0	111.8	K347 T348 L349 V367 W375 F376 N488	K347-V369 PolarHBondContact O-N 2.96Å; T348-V369 WeakPolarHBondContact CA-O 3.31Å; L349-V369 WeakPolarHBondContact CD2-O 3.28Å; L349-V369 PolarHBondContact N-O 2.89Å; V367-V369 HydrophobicContact CG1-CG1 4.16Å; V369-W375 HydrophobicContact CB-CB 3.72Å; V369-W375 HydrophobicContact CB-CG 4.12Å; V369-W375 HydrophobicContact CG1-CB 4.1Å; V369-W375 HydrophobicContact CG2-CB 3.64Å; V369-W375 HydrophobicContact CG2-CG 4.28Å; V369-F376 HydrophobicContact CB-CE1 4.49Å; V369-F376 HydrophobicContact CG1-CE1 4.47Å; V369-F376 HydrophobicContact CG2-CD1 4.11Å; V369-F376 HydrophobicContact CG2-CE1 3.25Å; V369-F376 HydrophobicContact CG2-CE2 4.47Å; V369-F376 HydrophobicContact CG2-CZ 3.48Å; V369-F376 VanDerWaalsContact CG2-CZ 3.48Å; V369-N488 HydrophobicContact CG1-CB 4.43Å
370	P	96.1	Very high	97.3	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.032	23%	0.228	C	C	.	.			trans	-59.3	167	172.5	-19.9	32.9	0	0	0	112.9	L349 W375 A485 A490 S491	L349-P370 VanDerWaalsContact CD2-CA 3.41Å; L349-P370 HydrophobicContact CD2-CB 4.42Å; P370-W375 HydrophobicContact CB-CZ2 4.47Å; P370-W375 HydrophobicContact CG-CZ2 4.08Å; P370-W375 VanDerWaalsContact O-CD1 3.28Å; P370-A485 HydrophobicContact CG-CB 3.9Å; P370-A490 HydrophobicContact CG-CB 3.69Å; P370-S491 WeakPolarHBondContact CG-O 3.22Å
371	V	92.4	Very high	97.3	Very high	34 Å²	34	40.5 Å²	40.5	21%	0.206	22%	0.216	C	C	.	.	S	Bend	trans	-62	137.9	170.9	-179.8	0	0	0	0	110.1	V350	V350-V371 HydrophobicContact CG1-CG2 4.14Å; V350-V371 HydrophobicContact CG2-CG2 3.51Å
372	G	91.3	Very high	97.3	Very high	15 Å²	15	41.9 Å²	41.9	16%	0.155	22%	0.223	C	C	.	.	S	Bend	trans	121	121.2	179.4	0	0	0	0	0	112	K374 W375 E390	G372-K374 PolarHBondContact O-N 3.38Å; G372-W375 PolarHBondContact O-N 3.3Å; G372-E390 WeakPolarHBondContact CA-OE1 3.4Å; G372-E390 PolarHBondContact N-OE1 3.27Å
373	F	95.7	Very high	97.3	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.031	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57.8	-22.9	-178.2	-160.7	-100.9	0	0	0	115.1	W375 F376 L380 G388 E390 T407 D408 K409	F373-W375 PolarHBondContact O-N 3.5Å; F373-F376 AromaticContact CD2-CD2 3.52Å; F373-F376 HydrophobicContact CD2-CD2 3.52Å; F373-F376 HydrophobicContact CD2-CE2 4.05Å; F373-F376 AromaticContact CE2-CD2 3.68Å; F373-F376 HydrophobicContact CE2-CD2 3.68Å; F373-F376 HydrophobicContact CE2-CE2 4.39Å; F373-F376 HydrophobicContact CG-CD2 4.08Å; F373-F376 HydrophobicContact CZ-CB 4.49Å; F373-F376 HydrophobicContact CZ-CD2 4.37Å; F373-F376 PolarHBondContact O-N 3.43Å; F373-L380 HydrophobicContact CE1-CD1 4.02Å; F373-L380 HydrophobicContact CZ-CD1 3.77Å; F373-G388 WeakPolarHBondContact CE2-O 3.5Å; F373-E390 HydrophobicContact CB-CG 4.49Å; F373-E390 HydrophobicContact CD2-CG 4.14Å; F373-E390 PolarHBondContact N-OE1 3.33Å; F373-T407 WeakPolarHBondContact CE1-O 3.28Å; F373-D408 VanDerWaalsContact CE1-C 3.48Å; F373-K409 HydrophobicContact CB-CD 4.07Å; F373-K409 HydrophobicContact CB-CG 4.18Å; F373-K409 HydrophobicContact CD1-CG 3.8Å; F373-K409 HydrophobicContact CD2-CD 3.69Å; F373-K409 HydrophobicContact CD2-CG 3.17Å; F373-K409 HydrophobicContact CE1-CG 3.91Å; F373-K409 HydrophobicContact CE2-CB 4.44Å; F373-K409 HydrophobicContact CE2-CD 4.28Å; F373-K409 HydrophobicContact CE2-CG 3.32Å; F373-K409 HydrophobicContact CG-CD 3.86Å; F373-K409 HydrophobicContact CG-CG 3.43Å; F373-K409 VanDerWaalsContact CG-CG 3.43Å; F373-K409 HydrophobicContact CZ-CB 4.48Å; F373-K409 HydrophobicContact CZ-CG 3.69Å
374	K	93.2	Very high	97.3	Very high	40 Å²	40	39.5 Å²	39.5	17%	0.174	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-50.8	-28	178.2	62.3	159.3	-178.7	178.9	0	114.2	T44 D166 G372 F376 V377	T44-K374 HydrophobicContact CG2-CD 3.8Å; T44-K374 HydrophobicContact CG2-CG 4.38Å; D166-K374 WeakPolarHBondContact OD1-CD 3.45Å; D166-K374 WeakPolarHBondContact OD1-CE 3.28Å; D166-K374 IonicContact OD1-NZ 3.79Å; D166-K374 PolarHBondContact OD1-NZ 3.32Å; G372-K374 PolarHBondContact O-N 3.38Å; K374-F376 PolarHBondContact O-N 3.32Å; K374-V377 WeakPolarHBondContact O-CG2 3.36Å; K374-V377 PolarHBondContact O-N 2.92Å
375	W	96.4	Very high	97.3	Very high	77 Å²	77	38.3 Å²	38.3	29%	0.292	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-73.1	-11.7	-179.6	-60.7	116.1	0	0	0	114.2	V369 P370 G372 F373 A490	V369-W375 HydrophobicContact CB-CB 3.72Å; V369-W375 HydrophobicContact CB-CG 4.12Å; V369-W375 HydrophobicContact CG1-CB 4.1Å; V369-W375 HydrophobicContact CG2-CB 3.64Å; V369-W375 HydrophobicContact CG2-CG 4.28Å; P370-W375 HydrophobicContact CB-CZ2 4.47Å; P370-W375 HydrophobicContact CG-CZ2 4.08Å; P370-W375 VanDerWaalsContact O-CD1 3.28Å; G372-W375 PolarHBondContact O-N 3.3Å; F373-W375 PolarHBondContact O-N 3.5Å; W375-A490 HydrophobicContact CE3-CB 4.45Å; W375-A490 HydrophobicContact CH2-CB 3.53Å; W375-A490 HydrophobicContact CZ2-CB 3.93Å; W375-A490 HydrophobicContact CZ3-CB 3.83Å
376	F	98.4	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-98.3	-14.3	176.6	-52.1	-52.9	0	0	0	113.2	T348 V369 F373 K374 D378 G379 L380 F385 E390	T348-F376 HydrophobicContact CG2-CE2 4.04Å; T348-F376 HydrophobicContact CG2-CZ 3.89Å; V369-F376 HydrophobicContact CB-CE1 4.49Å; V369-F376 HydrophobicContact CG1-CE1 4.47Å; V369-F376 HydrophobicContact CG2-CD1 4.11Å; V369-F376 HydrophobicContact CG2-CE1 3.25Å; V369-F376 HydrophobicContact CG2-CE2 4.47Å; V369-F376 HydrophobicContact CG2-CZ 3.48Å; V369-F376 VanDerWaalsContact CG2-CZ 3.48Å; F373-F376 AromaticContact CD2-CD2 3.52Å; F373-F376 HydrophobicContact CD2-CD2 3.52Å; F373-F376 HydrophobicContact CD2-CE2 4.05Å; F373-F376 AromaticContact CE2-CD2 3.68Å; F373-F376 HydrophobicContact CE2-CD2 3.68Å; F373-F376 HydrophobicContact CE2-CE2 4.39Å; F373-F376 HydrophobicContact CG-CD2 4.08Å; F373-F376 HydrophobicContact CZ-CB 4.49Å; F373-F376 HydrophobicContact CZ-CD2 4.37Å; F373-F376 PolarHBondContact O-N 3.43Å; K374-F376 PolarHBondContact O-N 3.32Å; F376-D378 PolarHBondContact O-N 3.39Å; F376-G379 PolarHBondContact O-N 2.89Å; F376-L380 HydrophobicContact CB-CD1 4.04Å; F376-L380 HydrophobicContact CB-CG 4.47Å; F376-L380 WeakPolarHBondContact O-CB 3.23Å; F376-L380 WeakPolarHBondContact O-CG 3.37Å; F376-L380 PolarHBondContact O-N 3.02Å; F376-F385 HydrophobicContact CB-CD2 4.32Å; F376-F385 HydrophobicContact CD1-CD2 4.06Å; F376-F385 HydrophobicContact CD1-CE2 4.03Å; F376-E390 HydrophobicContact CE2-CG 4.36Å
377	V	98.3	Very high	97.3	Very high	4 Å²	4	29 Å²	29	2%	0.024	15%	0.154	C	C	.	.	H	α-helix	trans	-57.4	-53.1	-170.5	175.7	0	0	0	0	111.6	N161 P164 K374 G379 L380 F381	N161-V377 VanDerWaalsContact ND2-CG1 3.28Å; N161-V377 WeakPolarHBondContact ND2-CG1 3.41Å; P164-V377 HydrophobicContact CG-CG2 4.09Å; K374-V377 WeakPolarHBondContact O-CG2 3.36Å; K374-V377 PolarHBondContact O-N 2.92Å; V377-G379 VanDerWaalsContact C-N 3.34Å; V377-G379 PolarHBondContact O-N 2.88Å; V377-L380 PolarHBondContact O-N 3.04Å; V377-F381 WeakPolarHBondContact O-CB 3.36Å; V377-F381 PolarHBondContact O-N 3.27Å
378	D	98.2	Very high	97.3	Very high	111 Å²	111	28.7 Å²	28.7	59%	0.594	15%	0.152	S	C	*	.	H	α-helix	trans	-64.1	-41.2	-177.3	-66.2	-20.7	0	0	0	111.5	F376 F381 D382	F376-D378 PolarHBondContact O-N 3.39Å; D378-F381 PolarHBondContact O-N 2.9Å; D378-D382 VanDerWaalsContact O-CG 3.25Å; D378-D382 PolarHBondContact O-N 3.22Å
379	G	98.6	Very high	97.3	Very high	6 Å²	6	28.3 Å²	28.3	6%	0.062	15%	0.151	C	C	.	.	H	α-helix	trans	-70.5	-34.4	179.4	0	0	0	0	0	113.8	F376 V377 D382 G383 S384 F385	F376-G379 PolarHBondContact O-N 2.89Å; V377-G379 VanDerWaalsContact C-N 3.34Å; V377-G379 PolarHBondContact O-N 2.88Å; G379-D382 WeakPolarHBondContact CA-OD1 3.44Å; G379-D382 VanDerWaalsContact O-OD1 3.04Å; G379-G383 CarbonylContact O-C 3.42Å; G379-G383 PolarHBondContact O-N 2.98Å; G379-G383 VanDerWaalsContact O-N 3.16Å; G379-S384 VanDerWaalsContact CA-OG 3.3Å; G379-S384 WeakPolarHBondContact CA-OG 3.42Å; G379-S384 PolarHBondContact O-N 3.33Å; G379-F385 PolarHBondContact O-N 3.31Å
380	L	98.8	Very high	97.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-69.4	-42.1	170.8	-74.9	166.7	0	0	0	110.3	F373 F376 V377 G383 L398 P404 T407	F373-L380 HydrophobicContact CE1-CD1 4.02Å; F373-L380 HydrophobicContact CZ-CD1 3.77Å; F376-L380 HydrophobicContact CB-CD1 4.04Å; F376-L380 HydrophobicContact CB-CG 4.47Å; F376-L380 WeakPolarHBondContact O-CB 3.23Å; F376-L380 WeakPolarHBondContact O-CG 3.37Å; F376-L380 PolarHBondContact O-N 3.02Å; V377-L380 PolarHBondContact O-N 3.04Å; L380-G383 PolarHBondContact O-N 3.04Å; L380-L398 HydrophobicContact CD2-CD2 4.13Å; L380-L398 VanDerWaalsContact O-CD2 3.31Å; L380-L398 WeakPolarHBondContact O-CD2 3.26Å; L380-P404 WeakPolarHBondContact O-CB 3.5Å; L380-T407 HydrophobicContact CB-CG2 4.03Å
381	F	98.8	Very high	97.3	Very high	98 Å²	98	29.9 Å²	29.9	43%	0.43	16%	0.158	S	C	.	.	H	α-helix	trans	-62.9	-42.9	-177.6	-177.1	-102.9	0	0	0	112.6	L128 N161 V377 D378 T407	L128-F381 HydrophobicContact CD2-CD2 3.77Å; L128-F381 HydrophobicContact CD2-CE2 3.84Å; N161-F381 HydrophobicContact CB-CD2 3.76Å; N161-F381 HydrophobicContact CB-CE2 3.96Å; N161-F381 HydrophobicContact CB-CG 4.06Å; N161-F381 HydrophobicContact CB-CZ 4.41Å; N161-F381 WeakPolarHBondContact O-CD2 3.28Å; V377-F381 WeakPolarHBondContact O-CB 3.36Å; V377-F381 PolarHBondContact O-N 3.27Å; D378-F381 PolarHBondContact O-N 2.9Å; F381-T407 HydrophobicContact CB-CG2 3.95Å; F381-T407 HydrophobicContact CD2-CG2 4.35Å
382	D	98.5	Very high	97.3	Very high	108 Å²	108	30.5 Å²	30.5	58%	0.578	16%	0.164	S	C	*	.	H	α-helix	trans	-88.9	-5.8	179.2	74.5	8.1	0	0	0	114.4	D378 G379 S384	D378-D382 VanDerWaalsContact O-CG 3.25Å; D378-D382 PolarHBondContact O-N 3.22Å; G379-D382 WeakPolarHBondContact CA-OD1 3.44Å; G379-D382 VanDerWaalsContact O-OD1 3.04Å; D382-S384 VanDerWaalsContact C-N 3.34Å; D382-S384 WeakPolarHBondContact OD1-CB 3.48Å; D382-S384 PolarHBondContact OD1-N 3.09Å; D382-S384 PolarHBondContact OD1-OG 3.3Å
383	G	98.6	Very high	97.6	Very high	12 Å²	12	29.8 Å²	29.8	12%	0.124	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	5.6	179.6	0	0	0	0	0	114.9	G379 L380 F385	G379-G383 CarbonylContact O-C 3.42Å; G379-G383 PolarHBondContact O-N 2.98Å; G379-G383 VanDerWaalsContact O-N 3.16Å; L380-G383 PolarHBondContact O-N 3.04Å; G383-F385 VanDerWaalsContact C-N 3.32Å
384	S	98.7	Very high	97.7	Very high	47 Å²	47	29.5 Å²	29.5	33%	0.329	16%	0.155	S	C	.	.	S	Bend	trans	-72.8	-23.1	176.1	65.4	0	0	0	0	113.3	A344 G379 D382	A344-S384 PolarHBondContact N-O 2.81Å; G379-S384 VanDerWaalsContact CA-OG 3.3Å; G379-S384 WeakPolarHBondContact CA-OG 3.42Å; G379-S384 PolarHBondContact O-N 3.33Å; D382-S384 VanDerWaalsContact C-N 3.34Å; D382-S384 WeakPolarHBondContact OD1-CB 3.48Å; D382-S384 PolarHBondContact OD1-N 3.09Å; D382-S384 PolarHBondContact OD1-OG 3.3Å
385	F	98.9	Very high	98	Very high	25 Å²	25	27.6 Å²	27.6	11%	0.11	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.6	169.8	-66.7	-7.3	0	0	0	110.4	A344 V367 F376 G379 G383 F387 L398	A344-F385 HydrophobicContact CB-CD1 4.12Å; A344-F385 HydrophobicContact CB-CE1 4.45Å; A344-F385 WeakPolarHBondContact O-CA 3.09Å; V367-F385 HydrophobicContact CB-CE1 3.96Å; V367-F385 HydrophobicContact CB-CZ 3.95Å; V367-F385 HydrophobicContact CG1-CE1 4.1Å; V367-F385 HydrophobicContact CG1-CZ 3.71Å; V367-F385 HydrophobicContact CG2-CE1 3.79Å; V367-F385 HydrophobicContact CG2-CZ 4.26Å; F376-F385 HydrophobicContact CB-CD2 4.32Å; F376-F385 HydrophobicContact CD1-CD2 4.06Å; F376-F385 HydrophobicContact CD1-CE2 4.03Å; G379-F385 PolarHBondContact O-N 3.31Å; G383-F385 VanDerWaalsContact C-N 3.32Å; F385-F387 VanDerWaalsContact C-N 3.27Å; F385-L398 WeakPolarHBondContact O-CD1 3.17Å; F385-L398 VanDerWaalsContact O-CG 3.29Å; F385-L398 WeakPolarHBondContact O-CG 3.16Å
386	G	98.9	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-27.1	173.7	0	0	0	0	0	112.5	W339 A344 F397 L398	W339-G386 VanDerWaalsContact CH2-O 3.27Å; W339-G386 WeakPolarHBondContact CH2-O 3.48Å; A344-G386 PolarHBondContact O-N 2.98Å; G386-F397 VanDerWaalsContact O-CA 3.26Å; G386-F397 WeakPolarHBondContact O-CA 3.01Å; G386-F397 WeakPolarHBondContact O-CB 3.33Å; G386-L398 PolarHBondContact O-N 2.81Å; G386-L398 VanDerWaalsContact O-N 3.14Å
387	F	98.9	Very high	98.2	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	141.7	-176.1	-176.7	-86.1	0	0	0	110	L325 A328 I329 L332 F333 V345 G346 F385 A395 F397 M414	L325-F387 HydrophobicContact CD2-CE1 4.19Å; L325-F387 HydrophobicContact CD2-CZ 3.69Å; A328-F387 HydrophobicContact CB-CE2 4.22Å; I329-F387 HydrophobicContact CD1-CD1 3.77Å; I329-F387 HydrophobicContact CD1-CE1 3.67Å; I329-F387 HydrophobicContact CD1-CZ 4.41Å; I329-F387 HydrophobicContact CG1-CD1 3.54Å; I329-F387 HydrophobicContact CG1-CD2 4.28Å; I329-F387 HydrophobicContact CG1-CE1 3.65Å; I329-F387 HydrophobicContact CG1-CE2 4.38Å; I329-F387 HydrophobicContact CG1-CG 3.88Å; I329-F387 HydrophobicContact CG1-CZ 4.08Å; L332-F387 HydrophobicContact CD1-CD2 3.79Å; L332-F387 HydrophobicContact CD1-CE2 4.34Å; F333-F387 HydrophobicContact CE2-CB 3.92Å; F333-F387 HydrophobicContact CZ-CB 4.45Å; V345-F387 HydrophobicContact CG1-CD1 4.38Å; G346-F387 WeakPolarHBondContact CA-O 3.37Å; G346-F387 PolarHBondContact N-O 3.01Å; F385-F387 VanDerWaalsContact C-N 3.27Å; F387-A395 HydrophobicContact CE1-CB 4.39Å; F387-A395 HydrophobicContact CE2-CB 4.1Å; F387-A395 HydrophobicContact CZ-CB 3.68Å; F387-F397 HydrophobicContact CD2-CB 3.98Å; F387-M414 HydrophobicContact CE2-CE 3.97Å; F387-M414 HydrophobicContact CE2-SD 4.01Å; F387-M414 HydrophobicContact CZ-CE 4.23Å
388	G	98.9	Very high	98.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.1	166.8	0	0	0	0	0	110	F373 A395 S396	F373-G388 WeakPolarHBondContact CE2-O 3.5Å; G388-A395 CarbonylContact O-C 3.42Å; G388-A395 VanDerWaalsContact O-CA 3.23Å; G388-A395 WeakPolarHBondContact O-CA 3.41Å; G388-A395 WeakPolarHBondContact O-CB 3.45Å; G388-S396 PolarHBondContact N-O 2.99Å; G388-S396 PolarHBondContact O-N 3.11Å
389	G	98.5	Very high	98.2	Very high	2 Å²	2	19.8 Å²	19.8	2%	0.021	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.3	-176.1	0	0	0	0	0	114.7	G346	G346-G389 PolarHBondContact O-N 3.3Å
390	E	97.5	Very high	98.2	Very high	13 Å²	13	21.7 Å²	21.7	6%	0.061	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.8	174	-51.7	-170.2	105.1	0	0	110.1	T348 G372 F373 F376 S392 A393 G394 K409	T348-E390 HydrophobicContact CG2-CB 4.26Å; T348-E390 HydrophobicContact CG2-CG 3.8Å; G372-E390 WeakPolarHBondContact CA-OE1 3.4Å; G372-E390 PolarHBondContact N-OE1 3.27Å; F373-E390 HydrophobicContact CB-CG 4.49Å; F373-E390 HydrophobicContact CD2-CG 4.14Å; F373-E390 PolarHBondContact N-OE1 3.33Å; F376-E390 HydrophobicContact CE2-CG 4.36Å; E390-S392 WeakPolarHBondContact CB-OG 3.47Å; E390-S392 PolarHBondContact O-N 3.04Å; E390-A393 PolarHBondContact O-N 3.19Å; E390-A393 VanDerWaalsContact O-N 3.11Å; E390-G394 PolarHBondContact N-O 3.01Å; E390-G394 PolarHBondContact O-N 3.35Å; E390-K409 IonicContact OE2-NZ 3.4Å; E390-K409 PolarHBondContact OE2-NZ 2.89Å
391	E	95	Very high	98.2	Very high	26 Å²	26	26 Å²	26	12%	0.121	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.6	176.6	77	-65.2	170	0	0	114.1	P321 N322 T348 V350 S351 A393	P321-E391 WeakPolarHBondContact CB-O 3.41Å; N322-E391 WeakPolarHBondContact OD1-CB 3.47Å; T348-E391 PolarHBondContact OG1-OE2 3.3Å; V350-E391 HydrophobicContact CG2-CG 4.19Å; V350-E391 WeakPolarHBondContact CG2-OE1 3.44Å; V350-E391 VanDerWaalsContact CG2-OE2 3.31Å; V350-E391 WeakPolarHBondContact CG2-OE2 3.2Å; S351-E391 PolarHBondContact OG-N 3.43Å; E391-A393 PolarHBondContact O-N 3.38Å
392	S	92.9	Very high	98.2	Very high	47 Å²	47	22.1 Å²	22.1	33%	0.329	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	11.3	173	55.4	0	0	0	0	114	R309 E390	R309-S392 VanDerWaalsContact CD-O 3.26Å; R309-S392 WeakPolarHBondContact CD-O 3.15Å; R309-S392 PolarHBondContact NH1-O 3.17Å; E390-S392 WeakPolarHBondContact CB-OG 3.47Å; E390-S392 PolarHBondContact O-N 3.04Å
393	A	97.7	Very high	98.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	29.4	179.4	0	0	0	0	0	115.2	R309 H310 P321 E390 E391	R309-A393 CarbonylContact C-O 3.58Å; R309-A393 WeakPolarHBondContact CA-O 3.43Å; R309-A393 VanDerWaalsContact CB-O 3.23Å; R309-A393 WeakPolarHBondContact CB-O 3.13Å; H310-A393 PolarHBondContact CE1-O 2.79Å; H310-A393 PolarHBondContact N-O 3.16Å; H310-A393 PolarHBondContact ND1-O 3.14Å; H310-A393 WeakPolarHBondContact O-CB 3.47Å; P321-A393 HydrophobicContact CB-CB 3.75Å; P321-A393 HydrophobicContact CG-CB 3.68Å; E390-A393 PolarHBondContact O-N 3.19Å; E390-A393 VanDerWaalsContact O-N 3.11Å; E391-A393 PolarHBondContact O-N 3.38Å
394	G	98.6	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131	175.5	0	0	0	0	0	111.3	E390	E390-G394 PolarHBondContact N-O 3.01Å; E390-G394 PolarHBondContact O-N 3.35Å
395	A	98.9	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	166	178.9	0	0	0	0	0	111.6	L325 F387 G388 D410 M414	L325-A395 HydrophobicContact CD2-CB 3.87Å; F387-A395 HydrophobicContact CE1-CB 4.39Å; F387-A395 HydrophobicContact CE2-CB 4.1Å; F387-A395 HydrophobicContact CZ-CB 3.68Å; G388-A395 CarbonylContact O-C 3.42Å; G388-A395 VanDerWaalsContact O-CA 3.23Å; G388-A395 WeakPolarHBondContact O-CA 3.41Å; G388-A395 WeakPolarHBondContact O-CB 3.45Å; A395-D410 PolarHBondContact O-N 3.33Å; A395-M414 HydrophobicContact CB-CE 3.93Å; A395-M414 HydrophobicContact CB-CG 4.06Å; A395-M414 HydrophobicContact CB-SD 3.82Å
396	S	98.9	Very high	98.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.3	166.1	-171.3	0	0	0	0	110.2	G388 S406 D408	G388-S396 PolarHBondContact N-O 2.99Å; G388-S396 PolarHBondContact O-N 3.11Å; S396-S406 PolarHBondContact OG-O 2.72Å; S396-D408 WeakPolarHBondContact CB-O 3.36Å
397	F	99	Very high	98.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	165.5	176.4	63	-87.7	0	0	0	111.8	I218 V219 L332 W339 G386 F387 I413 M414 L417	I218-F397 HydrophobicContact CD1-CD2 3.83Å; I218-F397 HydrophobicContact CD1-CE2 3.65Å; I218-F397 HydrophobicContact CD1-CG 4.41Å; I218-F397 HydrophobicContact CD1-CZ 4.11Å; I218-F397 WeakPolarHBondContact CD1-O 3.21Å; I218-F397 HydrophobicContact CG1-CD2 3.85Å; I218-F397 HydrophobicContact CG1-CE2 3.27Å; I218-F397 HydrophobicContact CG1-CZ 3.86Å; V219-F397 HydrophobicContact CG2-CZ 4.06Å; L332-F397 HydrophobicContact CD1-CB 4Å; L332-F397 HydrophobicContact CD1-CD1 4.16Å; L332-F397 HydrophobicContact CD1-CD2 4.1Å; L332-F397 HydrophobicContact CD1-CG 3.85Å; L332-F397 HydrophobicContact CD2-CD2 3.89Å; L332-F397 HydrophobicContact CD2-CE2 3.91Å; L332-F397 HydrophobicContact CD2-CG 4.47Å; W339-F397 HydrophobicContact CH2-CB 4.2Å; W339-F397 HydrophobicContact CH2-CD2 4.27Å; W339-F397 HydrophobicContact CZ2-CD2 4.39Å; G386-F397 VanDerWaalsContact O-CA 3.26Å; G386-F397 WeakPolarHBondContact O-CA 3.01Å; G386-F397 WeakPolarHBondContact O-CB 3.33Å; F387-F397 HydrophobicContact CD2-CB 3.98Å; F397-I413 HydrophobicContact CD1-CD1 3.69Å; F397-I413 HydrophobicContact CD1-CG1 4.05Å; F397-I413 HydrophobicContact CE1-CB 3.86Å; F397-I413 HydrophobicContact CE1-CD1 3.64Å; F397-I413 HydrophobicContact CE1-CG1 3.55Å; F397-I413 HydrophobicContact CG-CD1 4.32Å; F397-I413 HydrophobicContact CZ-CB 4.02Å; F397-I413 HydrophobicContact CZ-CD1 4.22Å; F397-I413 HydrophobicContact CZ-CG1 4.19Å; F397-M414 HydrophobicContact CD1-SD 3.76Å; F397-M414 HydrophobicContact CE1-SD 3.88Å; F397-L417 HydrophobicContact CD1-CD2 4.39Å; F397-L417 HydrophobicContact CE1-CB 4.19Å; F397-L417 HydrophobicContact CE1-CD2 3.89Å; F397-L417 HydrophobicContact CZ-CB 4.17Å; F397-L417 HydrophobicContact CZ-CD1 4.4Å; F397-L417 HydrophobicContact CZ-CD2 4.22Å; F397-L417 HydrophobicContact CZ-CG 4.5Å
398	L	98.9	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-74.1	162.1	-176.4	-58.1	176.3	0	0	0	112.3	W339 V343 L380 F385 G386 G402	W339-L398 HydrophobicContact CZ2-CB 3.83Å; W339-L398 WeakPolarHBondContact CZ2-O 3.3Å; V343-L398 HydrophobicContact CG1-CD1 4.3Å; L380-L398 HydrophobicContact CD2-CD2 4.13Å; L380-L398 VanDerWaalsContact O-CD2 3.31Å; L380-L398 WeakPolarHBondContact O-CD2 3.26Å; F385-L398 WeakPolarHBondContact O-CD1 3.17Å; F385-L398 VanDerWaalsContact O-CG 3.29Å; F385-L398 WeakPolarHBondContact O-CG 3.16Å; G386-L398 PolarHBondContact O-N 2.81Å; G386-L398 VanDerWaalsContact O-N 3.14Å; L398-G402 WeakPolarHBondContact CD1-O 3.36Å
399	R	98.9	Very high	98.2	Very high	29 Å²	29	17.4 Å²	17.4	11%	0.109	10%	0.097	C	C	.	.			trans	-60.8	167.9	164.5	-68	172	179.8	-93.7	0.1	110.9	N125 D217 I218 W339 D401 G402 T403 P404 W405	N125-R399 PolarHBondContact ND2-NH2 3.28Å; D217-R399 VanDerWaalsContact CB-NH1 3.33Å; D217-R399 WeakPolarHBondContact O-CB 3.47Å; D217-R399 IonicContact OD2-NH1 3.33Å; D217-R399 PolarHBondContact OD2-NH1 2.77Å; I218-R399 HydrophobicContact CB-CG 4.36Å; W339-R399 PolarHBondContact NE1-O 2.98Å; R399-D401 WeakPolarHBondContact CB-OD1 3.13Å; R399-D401 PolarHBondContact O-N 3.07Å; R399-G402 PolarHBondContact O-N 3.36Å; R399-T403 WeakPolarHBondContact CB-O 3.47Å; R399-T403 WeakPolarHBondContact CD-OG1 3.49Å; R399-T403 WeakPolarHBondContact CG-O 3.31Å; R399-T403 PolarHBondContact N-O 3.44Å; R399-P404 PolarHBondContact NE-O 3.35Å; R399-W405 HydrophobicContact CG-CB 4.03Å; R399-W405 HydrophobicContact CG-CE3 4.34Å; R399-W405 VanDerWaalsContact NH2-CZ3 3.26Å
400	F	98.9	Very high	98.2	Very high	46 Å²	46	17.3 Å²	17.3	20%	0.202	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-39.3	174.5	-76	-67	0	0	0	112.2	D217 D220 R336 Q338 G402	D217-F400 VanDerWaalsContact O-CD2 3.25Å; D217-F400 WeakPolarHBondContact O-CD2 3.3Å; D217-F400 PolarHBondContact O-N 3.23Å; D220-F400 HydrophobicContact CB-CZ 4.1Å; R336-F400 VanDerWaalsContact CD-CD1 3.48Å; Q338-F400 VanDerWaalsContact CB-O 3.27Å; Q338-F400 WeakPolarHBondContact CB-O 3.28Å; Q338-F400 PolarHBondContact OE1-O 2.82Å; F400-G402 PolarHBondContact O-N 2.93Å
401	D	98.6	Very high	98.3	Very high	91 Å²	91	16.7 Å²	16.7	49%	0.487	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	0.5	-178.9	73.4	-7.9	0	0	0	115	R399 T403	R399-D401 WeakPolarHBondContact CB-OD1 3.13Å; R399-D401 PolarHBondContact O-N 3.07Å; D401-T403 WeakPolarHBondContact OD1-CB 3.48Å; D401-T403 PolarHBondContact OD1-N 3.46Å; D401-T403 PolarHBondContact OD1-OG1 3.26Å; D401-T403 PolarHBondContact OD2-OG1 3.43Å
402	G	98.6	Very high	98.5	Very high	16 Å²	16	15.5 Å²	15.5	17%	0.165	9%	0.088	C	C	.	.	S	Bend	trans	79.5	13.7	-177.7	0	0	0	0	0	114.3	L398 R399 F400	L398-G402 WeakPolarHBondContact CD1-O 3.36Å; R399-G402 PolarHBondContact O-N 3.36Å; F400-G402 PolarHBondContact O-N 2.93Å
403	T	98.8	Very high	98.8	Very high	41 Å²	41	13.2 Å²	13.2	25%	0.252	7%	0.072	S	C	.	.			trans	-95.6	156.3	170.2	67	0	0	0	0	111.7	R399 D401	R399-T403 WeakPolarHBondContact CB-O 3.47Å; R399-T403 WeakPolarHBondContact CD-OG1 3.49Å; R399-T403 WeakPolarHBondContact CG-O 3.31Å; R399-T403 PolarHBondContact N-O 3.44Å; D401-T403 WeakPolarHBondContact OD1-CB 3.48Å; D401-T403 PolarHBondContact OD1-N 3.46Å; D401-T403 PolarHBondContact OD1-OG1 3.26Å; D401-T403 PolarHBondContact OD2-OG1 3.43Å
404	P	98.9	Very high	98.8	Very high	24 Å²	24	13.2 Å²	13.2	16%	0.156	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-66.1	142.8	-177.2	24.2	-34.8	0	0	0	113.3	L128 L380 R399 T407	L128-P404 HydrophobicContact CD1-CB 4.03Å; L128-P404 HydrophobicContact CD1-CG 4.47Å; L128-P404 HydrophobicContact CD2-CG 4.27Å; L380-P404 WeakPolarHBondContact O-CB 3.5Å; R399-P404 PolarHBondContact NE-O 3.35Å; P404-T407 HydrophobicContact CB-CG2 3.96Å
405	W	98.9	Very high	98.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-97.5	-55.7	168.1	169.8	-95.7	0	0	0	111.9	N125 L128 F211 G214 L215 I218 R399 D410 I413	N125-W405 WeakPolarHBondContact CA-O 3.41Å; N125-W405 VanDerWaalsContact ND2-CD2 3.29Å; N125-W405 PolarHBondContact ND2-O 3.17Å; L128-W405 WeakPolarHBondContact CD1-O 3.49Å; F211-W405 HydrophobicContact CD1-CZ2 4.22Å; F211-W405 HydrophobicContact CD2-CH2 4.47Å; F211-W405 AromaticContact CD2-CZ2 3.69Å; F211-W405 HydrophobicContact CD2-CZ2 3.69Å; F211-W405 HydrophobicContact CE1-CZ2 4.06Å; F211-W405 AromaticContact CE2-CE2 3.88Å; F211-W405 AromaticContact CE2-CZ2 3.51Å; F211-W405 HydrophobicContact CE2-CZ2 3.51Å; F211-W405 AromaticContact CE2-NE1 3.74Å; F211-W405 HydrophobicContact CG-CZ2 4.05Å; F211-W405 AromaticContact CZ-CZ2 3.71Å; F211-W405 HydrophobicContact CZ-CZ2 3.71Å; F211-W405 AromaticContact CZ-NE1 3.86Å; F211-W405 VanDerWaalsContact O-CH2 3.32Å; F211-W405 WeakPolarHBondContact O-CH2 3.45Å; G214-W405 VanDerWaalsContact C-CH2 3.47Å; G214-W405 WeakPolarHBondContact O-CZ3 3.39Å; L215-W405 HydrophobicContact CD2-CH2 4.29Å; L215-W405 HydrophobicContact CD2-CZ2 3.81Å; L215-W405 HydrophobicContact CG-CH2 4.43Å; L215-W405 HydrophobicContact CG-CZ2 4.35Å; I218-W405 HydrophobicContact CB-CD2 4.49Å; I218-W405 HydrophobicContact CB-CE3 4.3Å; I218-W405 HydrophobicContact CD1-CB 3.33Å; I218-W405 HydrophobicContact CD1-CD2 4.25Å; I218-W405 HydrophobicContact CD1-CG 3.56Å; I218-W405 HydrophobicContact CG2-CD2 3.87Å; I218-W405 HydrophobicContact CG2-CE3 3.75Å; I218-W405 HydrophobicContact CG2-CG 4.34Å; I218-W405 HydrophobicContact CG2-CZ3 4.2Å; R399-W405 HydrophobicContact CG-CB 4.03Å; R399-W405 HydrophobicContact CG-CE3 4.34Å; R399-W405 VanDerWaalsContact NH2-CZ3 3.26Å; W405-D410 PolarHBondContact NE1-OD2 3.27Å; W405-I413 HydrophobicContact CG-CG2 4.49Å
406	S	98.9	Very high	98.9	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	7%	0.072	C	C	.	.			trans	-138.9	130.9	173.1	173.6	0	0	0	0	107.3	S124 S396 D408	S124-S406 VanDerWaalsContact CB-OG 3.28Å; S124-S406 WeakPolarHBondContact CB-OG 3.27Å; S124-S406 PolarHBondContact OG-OG 3.19Å; S396-S406 PolarHBondContact OG-O 2.72Å; S406-D408 CarbonylContact C-O 3.59Å; S406-D408 PolarHBondContact OG-N 3.11Å; S406-D408 PolarHBondContact OG-O 3.28Å
407	T	98.9	Very high	98.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-98.6	-2.3	174.2	44.9	0	0	0	0	111.9	S124 L128 N161 G162 G163 F373 L380 F381 P404	S124-T407 PolarHBondContact OG-N 3.24Å; S124-T407 PolarHBondContact OG-OG1 3.06Å; L128-T407 HydrophobicContact CD1-CG2 4.13Å; L128-T407 HydrophobicContact CD2-CG2 4.32Å; N161-T407 WeakPolarHBondContact O-CB 3.46Å; N161-T407 PolarHBondContact O-OG1 3.21Å; G162-T407 VanDerWaalsContact CA-OG1 3.26Å; G162-T407 WeakPolarHBondContact CA-OG1 3.36Å; G162-T407 PolarHBondContact O-OG1 3.11Å; G163-T407 WeakPolarHBondContact CA-O 3.42Å; G163-T407 PolarHBondContact N-OG1 3.46Å; F373-T407 WeakPolarHBondContact CE1-O 3.28Å; L380-T407 HydrophobicContact CB-CG2 4.03Å; F381-T407 HydrophobicContact CB-CG2 3.95Å; F381-T407 HydrophobicContact CD2-CG2 4.35Å; P404-T407 HydrophobicContact CB-CG2 3.96Å
408	D	98.6	Very high	98.9	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	7%	0.072	C	C	.	.	S	Bend	trans	-94.4	172.2	154.1	-148.4	-28.7	0	0	0	109.3	T120 S124 K156 N158 F373 S396 S406	T120-D408 HydrophobicContact CG2-CB 3.75Å; T120-D408 WeakPolarHBondContact CG2-OD2 3.38Å; S124-D408 PolarHBondContact OG-N 3.42Å; K156-D408 IonicContact NZ-OD2 3.58Å; K156-D408 PolarHBondContact NZ-OD2 3.19Å; N158-D408 PolarHBondContact ND2-OD2 3.16Å; F373-D408 VanDerWaalsContact CE1-C 3.48Å; S396-D408 WeakPolarHBondContact CB-O 3.36Å; S406-D408 CarbonylContact C-O 3.59Å; S406-D408 PolarHBondContact OG-N 3.11Å; S406-D408 PolarHBondContact OG-O 3.28Å
409	K	98.8	Very high	98.9	Very high	25 Å²	25	13.2 Å²	13.2	11%	0.109	7%	0.072	C	C	.	.			trans	-66.2	148.8	176.7	-65.8	161.2	-83.8	172.8	0	110.9	D308 F373 E390	D308-K409 HydrophobicContact CB-CB 3.87Å; D308-K409 WeakPolarHBondContact O-CB 3.32Å; D308-K409 WeakPolarHBondContact OD2-CE 3.47Å; D308-K409 IonicContact OD2-NZ 2.74Å; D308-K409 PolarHBondContact OD2-NZ 2.83Å; F373-K409 HydrophobicContact CB-CD 4.07Å; F373-K409 HydrophobicContact CB-CG 4.18Å; F373-K409 HydrophobicContact CD1-CG 3.8Å; F373-K409 HydrophobicContact CD2-CD 3.69Å; F373-K409 HydrophobicContact CD2-CG 3.17Å; F373-K409 HydrophobicContact CE1-CG 3.91Å; F373-K409 HydrophobicContact CE2-CB 4.44Å; F373-K409 HydrophobicContact CE2-CD 4.28Å; F373-K409 HydrophobicContact CE2-CG 3.32Å; F373-K409 HydrophobicContact CG-CD 3.86Å; F373-K409 HydrophobicContact CG-CG 3.43Å; F373-K409 VanDerWaalsContact CG-CG 3.43Å; F373-K409 HydrophobicContact CZ-CB 4.48Å; F373-K409 HydrophobicContact CZ-CG 3.69Å; E390-K409 IonicContact OE2-NZ 3.4Å; E390-K409 PolarHBondContact OE2-NZ 2.89Å
410	D	98.9	Very high	98.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.			trans	-135	105.3	-177.5	-172.2	-31.1	0	0	0	110.6	P121 A395 W405 I412 I413 M414	P121-D410 HydrophobicContact CB-CB 3.51Å; P121-D410 VanDerWaalsContact CB-OD2 3.27Å; P121-D410 WeakPolarHBondContact CB-OD2 3.22Å; P121-D410 HydrophobicContact CG-CB 4.11Å; A395-D410 PolarHBondContact O-N 3.33Å; W405-D410 PolarHBondContact NE1-OD2 3.27Å; D410-I412 WeakPolarHBondContact OD1-CA 3.38Å; D410-I412 WeakPolarHBondContact OD1-CB 3.33Å; D410-I412 PolarHBondContact OD1-N 3.49Å; D410-I413 HydrophobicContact CB-CD1 3.66Å; D410-I413 HydrophobicContact CB-CG1 3.64Å; D410-I413 PolarHBondContact OD1-N 2.8Å; D410-I413 WeakPolarHBondContact OD2-CG2 3.32Å; D410-M414 WeakPolarHBondContact O-CG 3.16Å
411	G	98.9	Very high	98.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-72	-28.8	177.7	0	0	0	0	0	113.4	N303 Y307 R309 C415	N303-G411 VanDerWaalsContact ND2-C 3.28Å; N303-G411 WeakPolarHBondContact ND2-CA 3.35Å; N303-G411 PolarHBondContact ND2-O 3.26Å; Y307-G411 WeakPolarHBondContact O-CA 3.23Å; Y307-G411 PolarHBondContact O-N 2.78Å; R309-G411 WeakPolarHBondContact O-CA 3.4Å; G411-C415 WeakPolarHBondContact O-CB 3.26Å; G411-C415 PolarHBondContact O-N 2.77Å; G411-C415 PolarHBondContact O-SG 3.43Å
412	I	99	Very high	98.9	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-71.1	-50.4	-176.9	-66.1	167	0	0	0	109.9	P119 F211 L215 Y243 W244 I247 Y307 D410 M414 C415 L416	P119-I412 HydrophobicContact CG-CD1 4.36Å; F211-I412 HydrophobicContact CE1-CB 4.39Å; F211-I412 HydrophobicContact CE1-CD1 3.81Å; F211-I412 HydrophobicContact CE1-CG2 4.15Å; F211-I412 HydrophobicContact CZ-CB 4.48Å; F211-I412 HydrophobicContact CZ-CD1 4.1Å; L215-I412 HydrophobicContact CD2-CG2 4.41Å; Y243-I412 HydrophobicContact CD1-CD1 4.22Å; Y243-I412 HydrophobicContact CG-CD1 4.36Å; W244-I412 HydrophobicContact CH2-CG2 4.32Å; W244-I412 HydrophobicContact CZ2-CG2 4.47Å; I247-I412 HydrophobicContact CD1-CG2 3.77Å; Y307-I412 HydrophobicContact CD1-CD1 3.94Å; Y307-I412 HydrophobicContact CD1-CG1 3.78Å; Y307-I412 HydrophobicContact CE1-CG1 4.5Å; D410-I412 WeakPolarHBondContact OD1-CA 3.38Å; D410-I412 WeakPolarHBondContact OD1-CB 3.33Å; D410-I412 PolarHBondContact OD1-N 3.49Å; I412-M414 PolarHBondContact O-N 3.14Å; I412-C415 PolarHBondContact O-N 2.93Å; I412-C415 VanDerWaalsContact O-N 3.17Å; I412-L416 HydrophobicContact CG2-CD1 3.82Å; I412-L416 HydrophobicContact CG2-CG 4.41Å; I412-L416 WeakPolarHBondContact O-CG 3.45Å; I412-L416 PolarHBondContact O-N 3.18Å
413	I	99	Very high	98.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.9	-32.8	179.2	68.7	179.5	0	0	0	111.2	L215 I218 F397 W405 D410 L416 L417	L215-I413 HydrophobicContact CD2-CG2 3.88Å; I218-I413 HydrophobicContact CD1-CB 4.5Å; I218-I413 HydrophobicContact CD1-CD1 3.78Å; I218-I413 HydrophobicContact CD1-CG2 4.27Å; I218-I413 HydrophobicContact CG2-CG2 4.26Å; F397-I413 HydrophobicContact CD1-CD1 3.69Å; F397-I413 HydrophobicContact CD1-CG1 4.05Å; F397-I413 HydrophobicContact CE1-CB 3.86Å; F397-I413 HydrophobicContact CE1-CD1 3.64Å; F397-I413 HydrophobicContact CE1-CG1 3.55Å; F397-I413 HydrophobicContact CG-CD1 4.32Å; F397-I413 HydrophobicContact CZ-CB 4.02Å; F397-I413 HydrophobicContact CZ-CD1 4.22Å; F397-I413 HydrophobicContact CZ-CG1 4.19Å; W405-I413 HydrophobicContact CG-CG2 4.49Å; D410-I413 HydrophobicContact CB-CD1 3.66Å; D410-I413 HydrophobicContact CB-CG1 3.64Å; D410-I413 PolarHBondContact OD1-N 2.8Å; D410-I413 WeakPolarHBondContact OD2-CG2 3.32Å; I413-L416 PolarHBondContact O-N 2.97Å; I413-L417 WeakPolarHBondContact O-CB 3.31Å; I413-L417 PolarHBondContact O-N 3.49Å
414	M	99	Very high	98.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-71.4	-35.3	177.4	-70.2	-60.5	-59.8	0	0	111.7	H310 Y324 A328 F387 A395 F397 D410 I412 L417	H310-M414 HydrophobicContact CB-CB 4.06Å; H310-M414 VanDerWaalsContact ND1-CB 3.3Å; H310-M414 WeakPolarHBondContact ND1-CB 3.33Å; Y324-M414 HydrophobicContact CD1-CE 4.22Å; Y324-M414 HydrophobicContact CE1-CB 4.45Å; Y324-M414 HydrophobicContact CE1-CE 3.7Å; Y324-M414 WeakPolarHBondContact CE1-O 3.26Å; Y324-M414 PolarHBondContact OH-O 3.46Å; A328-M414 HydrophobicContact CB-CE 3.96Å; F387-M414 HydrophobicContact CE2-CE 3.97Å; F387-M414 HydrophobicContact CE2-SD 4.01Å; F387-M414 HydrophobicContact CZ-CE 4.23Å; A395-M414 HydrophobicContact CB-CE 3.93Å; A395-M414 HydrophobicContact CB-CG 4.06Å; A395-M414 HydrophobicContact CB-SD 3.82Å; F397-M414 HydrophobicContact CD1-SD 3.76Å; F397-M414 HydrophobicContact CE1-SD 3.88Å; D410-M414 WeakPolarHBondContact O-CG 3.16Å; I412-M414 PolarHBondContact O-N 3.14Å; M414-L417 HydrophobicContact SD-CD2 4.38Å
415	C	99	Very high	98.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.8	-45.7	170.9	-70.2	0	0	0	0	112.1	W244 F301 G411 I412 L417 A418 A419	W244-C415 HydrophobicContact CH2-CB 3.68Å; W244-C415 HydrophobicContact CZ2-CB 3.76Å; F301-C415 HydrophobicContact CB-CB 3.93Å; F301-C415 WeakPolarHBondContact CB-SG 2.9Å; F301-C415 HydrophobicContact CD1-CB 4.35Å; F301-C415 HydrophobicContact CD2-CB 3.68Å; F301-C415 HydrophobicContact CE2-CB 4.29Å; F301-C415 HydrophobicContact CG-CB 3.73Å; G411-C415 WeakPolarHBondContact O-CB 3.26Å; G411-C415 PolarHBondContact O-N 2.77Å; G411-C415 PolarHBondContact O-SG 3.43Å; I412-C415 PolarHBondContact O-N 2.93Å; I412-C415 VanDerWaalsContact O-N 3.17Å; C415-L417 VanDerWaalsContact C-N 3.31Å; C415-L417 PolarHBondContact O-N 3.16Å; C415-A418 WeakPolarHBondContact O-CB 3.41Å; C415-A418 PolarHBondContact O-N 3.29Å; C415-A418 VanDerWaalsContact O-N 3.13Å; C415-A419 PolarHBondContact O-N 2.66Å
416	L	99	Very high	98.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.7	-32.4	178.8	-71.6	172.5	0	0	0	112.6	L215 V219 M221 W244 I247 I412 I413 A418 A419 E420	L215-L416 HydrophobicContact CD1-CD1 3.7Å; L215-L416 HydrophobicContact CD2-CD1 3.97Å; L215-L416 HydrophobicContact CG-CD1 4.31Å; V219-L416 HydrophobicContact CG1-CB 4.05Å; V219-L416 HydrophobicContact CG2-CB 4.11Å; M221-L416 HydrophobicContact CE-CD1 4.49Å; M221-L416 HydrophobicContact CE-CD2 4.12Å; M221-L416 HydrophobicContact SD-CD1 4.2Å; M221-L416 HydrophobicContact SD-CD2 4.34Å; W244-L416 HydrophobicContact CH2-CD2 4.22Å; W244-L416 HydrophobicContact CH2-CG 4.05Å; W244-L416 HydrophobicContact CZ3-CD2 3.87Å; W244-L416 HydrophobicContact CZ3-CG 4.12Å; I247-L416 HydrophobicContact CD1-CD1 4.39Å; I247-L416 HydrophobicContact CG2-CD2 4.27Å; I412-L416 HydrophobicContact CG2-CD1 3.82Å; I412-L416 HydrophobicContact CG2-CG 4.41Å; I412-L416 WeakPolarHBondContact O-CG 3.45Å; I412-L416 PolarHBondContact O-N 3.18Å; I413-L416 PolarHBondContact O-N 2.97Å; L416-A418 VanDerWaalsContact C-N 3.26Å; L416-A418 PolarHBondContact O-N 2.91Å; L416-A419 WeakPolarHBondContact O-CB 3.29Å; L416-A419 PolarHBondContact O-N 3.15Å; L416-A419 VanDerWaalsContact O-N 3.11Å; L416-E420 PolarHBondContact O-N 2.82Å
417	L	99	Very high	98.9	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.1	-35.5	172.1	179.6	63.2	0	0	0	111.9	A328 Y331 L332 F397 I413 M414 C415 A419 E420 I421	A328-L417 HydrophobicContact CB-CD2 3.75Å; Y331-L417 HydrophobicContact CD1-CD1 3.89Å; Y331-L417 HydrophobicContact CE1-CD1 3.93Å; L332-L417 HydrophobicContact CD1-CD2 3.71Å; L332-L417 HydrophobicContact CD2-CD1 3.71Å; L332-L417 HydrophobicContact CD2-CD2 4.2Å; L332-L417 HydrophobicContact CG-CD1 4.09Å; L332-L417 HydrophobicContact CG-CD2 3.9Å; F397-L417 HydrophobicContact CD1-CD2 4.39Å; F397-L417 HydrophobicContact CE1-CB 4.19Å; F397-L417 HydrophobicContact CE1-CD2 3.89Å; F397-L417 HydrophobicContact CZ-CB 4.17Å; F397-L417 HydrophobicContact CZ-CD1 4.4Å; F397-L417 HydrophobicContact CZ-CD2 4.22Å; F397-L417 HydrophobicContact CZ-CG 4.5Å; I413-L417 WeakPolarHBondContact O-CB 3.31Å; I413-L417 PolarHBondContact O-N 3.49Å; M414-L417 HydrophobicContact SD-CD2 4.38Å; C415-L417 VanDerWaalsContact C-N 3.31Å; C415-L417 PolarHBondContact O-N 3.16Å; L417-A419 VanDerWaalsContact C-N 3.31Å; L417-A419 PolarHBondContact O-N 2.87Å; L417-E420 PolarHBondContact O-N 2.87Å; L417-I421 HydrophobicContact CD1-CD1 4.41Å; L417-I421 HydrophobicContact CD1-CG1 4.42Å; L417-I421 HydrophobicContact CG-CD1 3.97Å; L417-I421 HydrophobicContact CG-CG1 4.45Å; L417-I421 WeakPolarHBondContact O-CB 3.17Å; L417-I421 WeakPolarHBondContact O-CD1 3.34Å; L417-I421 WeakPolarHBondContact O-CG1 3.49Å; L417-I421 PolarHBondContact O-N 3.01Å
418	A	99	Very high	98.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.4	-38.5	176	0	0	0	0	0	111.1	L299 I312 Y324 C415 L416 T422 P429	L299-A418 HydrophobicContact CD1-CB 4.43Å; L299-A418 HydrophobicContact CD2-CB 3.61Å; I312-A418 HydrophobicContact CD1-CB 4.03Å; I312-A418 HydrophobicContact CG2-CB 4.11Å; Y324-A418 HydrophobicContact CE2-CB 3.9Å; Y324-A418 WeakPolarHBondContact OH-CA 3.34Å; Y324-A418 WeakPolarHBondContact OH-CB 3.43Å; Y324-A418 PolarHBondContact OH-N 3.32Å; C415-A418 WeakPolarHBondContact O-CB 3.41Å; C415-A418 PolarHBondContact O-N 3.29Å; C415-A418 VanDerWaalsContact O-N 3.13Å; L416-A418 VanDerWaalsContact C-N 3.26Å; L416-A418 PolarHBondContact O-N 2.91Å; A418-T422 WeakPolarHBondContact O-CB 3.46Å; A418-T422 PolarHBondContact O-N 2.87Å; A418-T422 VanDerWaalsContact O-N 3.09Å; A418-T422 PolarHBondContact O-OG1 3.45Å; A418-P429 HydrophobicContact CB-CG 3.74Å
419	A	99	Very high	98.9	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.3	-41.8	173.9	0	0	0	0	0	111.3	I224 L231 L299 C415 L416 L417 T422 A423	I224-A419 HydrophobicContact CD1-CB 3.91Å; I224-A419 HydrophobicContact CG1-CB 4.12Å; I224-A419 HydrophobicContact CG2-CB 4.15Å; L231-A419 HydrophobicContact CD1-CB 4.35Å; L231-A419 HydrophobicContact CD2-CB 4.28Å; L299-A419 HydrophobicContact CD2-CB 4.15Å; C415-A419 PolarHBondContact O-N 2.66Å; L416-A419 WeakPolarHBondContact O-CB 3.29Å; L416-A419 PolarHBondContact O-N 3.15Å; L416-A419 VanDerWaalsContact O-N 3.11Å; L417-A419 VanDerWaalsContact C-N 3.31Å; L417-A419 PolarHBondContact O-N 2.87Å; A419-T422 PolarHBondContact O-N 3.35Å; A419-A423 VanDerWaalsContact O-CB 3.27Å; A419-A423 WeakPolarHBondContact O-CB 3.36Å; A419-A423 PolarHBondContact O-N 2.98Å
420	E	98.9	Very high	98.9	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.009	11%	0.106	C	C	.	.	H	α-helix	trans	-58.3	-51.2	173.8	-178	-174.3	144.5	0	0	111.2	V219 D220 I224 Y331 R336 L416 L417 T422 A423 V424	V219-E420 WeakPolarHBondContact CA-OE2 3.08Å; V219-E420 HydrophobicContact CG1-CB 3.93Å; V219-E420 WeakPolarHBondContact CG1-OE2 3.45Å; D220-E420 HydrophobicContact CB-CG 3.89Å; D220-E420 PolarHBondContact N-OE2 3.28Å; I224-E420 HydrophobicContact CD1-CB 4.2Å; I224-E420 HydrophobicContact CG1-CB 4.32Å; Y331-E420 HydrophobicContact CE1-CG 4.22Å; Y331-E420 WeakPolarHBondContact CE1-OE1 3.41Å; Y331-E420 WeakPolarHBondContact OH-CG 3.06Å; Y331-E420 PolarHBondContact OH-OE1 2.68Å; R336-E420 IonicContact CZ-OE1 2.67Å; R336-E420 IonicContact CZ-OE2 3.16Å; R336-E420 IonicContact NH1-OE1 2.87Å; R336-E420 PolarHBondContact NH1-OE1 3.31Å; R336-E420 IonicContact NH1-OE2 2.88Å; R336-E420 IonicContact NH2-OE1 3.5Å; R336-E420 PolarHBondContact NH2-OE1 3.21Å; R336-E420 IonicContact NH2-OE2 2.69Å; R336-E420 PolarHBondContact NH2-OE2 2.91Å; L416-E420 PolarHBondContact O-N 2.82Å; L417-E420 PolarHBondContact O-N 2.87Å; E420-T422 VanDerWaalsContact C-N 3.26Å; E420-T422 PolarHBondContact O-N 3.28Å; E420-A423 PolarHBondContact O-N 2.99Å; E420-A423 VanDerWaalsContact O-N 3.15Å; E420-V424 HydrophobicContact CG-CG2 4.06Å; E420-V424 WeakPolarHBondContact O-CB 3.49Å; E420-V424 WeakPolarHBondContact O-CG2 3.5Å; E420-V424 PolarHBondContact O-N 3.29Å
421	I	99	Very high	98.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-52.7	-48.4	177.2	-71.6	160.7	0	0	0	110.2	Y324 V327 Y331 L417 T425 P429 H432	Y324-I421 HydrophobicContact CE2-CD1 4.33Å; V327-I421 HydrophobicContact CG1-CD1 4.22Å; Y331-I421 HydrophobicContact CD1-CD1 4.26Å; Y331-I421 HydrophobicContact CD1-CG1 3.55Å; Y331-I421 HydrophobicContact CD2-CB 4.37Å; Y331-I421 HydrophobicContact CD2-CG1 3.71Å; Y331-I421 HydrophobicContact CD2-CG2 4.45Å; Y331-I421 HydrophobicContact CE1-CG1 3.98Å; Y331-I421 HydrophobicContact CE2-CG1 4.12Å; Y331-I421 HydrophobicContact CG-CD1 4.16Å; Y331-I421 HydrophobicContact CG-CG1 3.42Å; Y331-I421 VanDerWaalsContact CG-CG1 3.42Å; L417-I421 HydrophobicContact CD1-CD1 4.41Å; L417-I421 HydrophobicContact CD1-CG1 4.42Å; L417-I421 HydrophobicContact CG-CD1 3.97Å; L417-I421 HydrophobicContact CG-CG1 4.45Å; L417-I421 WeakPolarHBondContact O-CB 3.17Å; L417-I421 WeakPolarHBondContact O-CD1 3.34Å; L417-I421 WeakPolarHBondContact O-CG1 3.49Å; L417-I421 PolarHBondContact O-N 3.01Å; I421-T425 WeakPolarHBondContact O-CB 3.47Å; I421-T425 WeakPolarHBondContact O-CG2 3.18Å; I421-T425 PolarHBondContact O-N 3.11Å; I421-T425 PolarHBondContact O-OG1 3.04Å; I421-P429 HydrophobicContact CB-CG 4.47Å; I421-P429 HydrophobicContact CD1-CG 4.46Å; I421-P429 HydrophobicContact CG2-CG 4.28Å; I421-H432 VanDerWaalsContact CG2-CD2 3.48Å; I421-H432 WeakPolarHBondContact CG2-CD2 3.25Å
422	T	99	Very high	98.9	Very high	14 Å²	14	21.5 Å²	21.5	9%	0.086	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-45.8	-179.4	-51.4	0	0	0	0	111.2	L229 A418 A419 E420 G426 K427 N428	L229-T422 HydrophobicContact CD1-CG2 3.9Å; L229-T422 HydrophobicContact CD2-CG2 3.96Å; A418-T422 WeakPolarHBondContact O-CB 3.46Å; A418-T422 PolarHBondContact O-N 2.87Å; A418-T422 VanDerWaalsContact O-N 3.09Å; A418-T422 PolarHBondContact O-OG1 3.45Å; A419-T422 PolarHBondContact O-N 3.35Å; E420-T422 VanDerWaalsContact C-N 3.26Å; E420-T422 PolarHBondContact O-N 3.28Å; T422-G426 VanDerWaalsContact O-CA 3.28Å; T422-G426 WeakPolarHBondContact O-CA 3.46Å; T422-G426 PolarHBondContact O-N 3.45Å; T422-K427 WeakPolarHBondContact CA-O 3.45Å; T422-N428 HydrophobicContact CG2-CB 4.31Å; T422-N428 WeakPolarHBondContact OG1-CA 3.29Å
423	A	98.9	Very high	98.9	Very high	24 Å²	24	22 Å²	22	20%	0.198	13%	0.132	C	C	.	.	H	α-helix	trans	-65.6	-44.2	-178.9	0	0	0	0	0	113.1	A223 I224 A227 L229 A419 E420	A223-A423 HydrophobicContact CB-CB 4.42Å; I224-A423 HydrophobicContact CG1-CB 4.39Å; A227-A423 HydrophobicContact CB-CB 3.51Å; L229-A423 HydrophobicContact CD1-CB 4.31Å; A419-A423 VanDerWaalsContact O-CB 3.27Å; A419-A423 WeakPolarHBondContact O-CB 3.36Å; A419-A423 PolarHBondContact O-N 2.98Å; E420-A423 PolarHBondContact O-N 2.99Å; E420-A423 VanDerWaalsContact O-N 3.15Å
424	V	98.9	Very high	98.9	Very high	59 Å²	59	25.4 Å²	25.4	36%	0.358	15%	0.15	S	C	.	.	H	α-helix	trans	-77.9	-38	-174.6	172.4	0	0	0	0	111.8	A223 Y331 E420	A223-V424 HydrophobicContact CB-CG2 3.72Å; Y331-V424 HydrophobicContact CE2-CB 4.31Å; Y331-V424 HydrophobicContact CE2-CG1 4.26Å; Y331-V424 WeakPolarHBondContact OH-CG2 3.42Å; E420-V424 HydrophobicContact CG-CG2 4.06Å; E420-V424 WeakPolarHBondContact O-CB 3.49Å; E420-V424 WeakPolarHBondContact O-CG2 3.5Å; E420-V424 PolarHBondContact O-N 3.29Å
425	T	98.8	Very high	98.9	Very high	45 Å²	45	29 Å²	29	28%	0.276	17%	0.167	S	C	.	.	H	α-helix	trans	-100.2	-14.9	-172.8	71.5	0	0	0	0	114	Y331 I421 K427 H432	Y331-T425 HydrophobicContact CD2-CG2 4.05Å; Y331-T425 HydrophobicContact CE2-CG2 3.87Å; I421-T425 WeakPolarHBondContact O-CB 3.47Å; I421-T425 WeakPolarHBondContact O-CG2 3.18Å; I421-T425 PolarHBondContact O-N 3.11Å; I421-T425 PolarHBondContact O-OG1 3.04Å; T425-K427 PolarHBondContact O-N 2.88Å; T425-K427 PolarHBondContact OG1-N 3.26Å; T425-K427 PolarHBondContact OG1-O 2.88Å; T425-H432 PolarHBondContact OG1-NE2 3.48Å
426	G	98.7	Very high	98.9	Very high	67 Å²	67	29.2 Å²	29.2	69%	0.691	17%	0.168	S	C	*	.	S	Bend	trans	70.3	13.3	-172.4	0	0	0	0	0	114.2	T422	T422-G426 VanDerWaalsContact O-CA 3.28Å; T422-G426 WeakPolarHBondContact O-CA 3.46Å; T422-G426 PolarHBondContact O-N 3.45Å
427	K	98.9	Very high	98.8	Very high	74 Å²	74	30.1 Å²	30.1	32%	0.322	18%	0.175	S	C	.	.	S	Bend	trans	-133.6	133.4	178.9	-61.5	178.1	-169.9	174	0	110	T422 T425 E431 H432 E435	T422-K427 WeakPolarHBondContact CA-O 3.45Å; T425-K427 PolarHBondContact O-N 2.88Å; T425-K427 PolarHBondContact OG1-N 3.26Å; T425-K427 PolarHBondContact OG1-O 2.88Å; K427-E431 WeakPolarHBondContact CA-OE2 3.42Å; K427-E431 HydrophobicContact CB-CB 4.16Å; K427-H432 PolarHBondContact O-CD2 2.89Å; K427-H432 PolarHBondContact O-NE2 2.74Å; K427-E435 IonicContact NZ-OE1 3.98Å; K427-E435 PolarHBondContact NZ-OE1 2.83Å; K427-E435 IonicContact NZ-OE2 3.69Å; K427-E435 PolarHBondContact NZ-OE2 3.46Å
428	N	98.9	Very high	98.8	Very high	25 Å²	25	38.5 Å²	38.5	13%	0.134	21%	0.212	C	C	.	.			trans	-71.1	163.2	176.7	73	48.9	0	0	0	111.4	T314 T422 Q430 E431 H432	T314-N428 HydrophobicContact CG2-CB 4.16Å; T422-N428 HydrophobicContact CG2-CB 4.31Å; T422-N428 WeakPolarHBondContact OG1-CA 3.29Å; N428-Q430 VanDerWaalsContact C-N 3.25Å; N428-Q430 PolarHBondContact O-N 2.72Å; N428-Q430 WeakPolarHBondContact OD1-CA 3.34Å; N428-Q430 WeakPolarHBondContact OD1-CB 3.39Å; N428-Q430 PolarHBondContact OD1-N 2.74Å; N428-E431 PolarHBondContact N-OE2 3Å; N428-E431 PolarHBondContact ND2-OE2 3.23Å; N428-E431 WeakPolarHBondContact O-CB 3.27Å; N428-E431 PolarHBondContact O-N 3.37Å; N428-E431 VanDerWaalsContact O-N 3.08Å; N428-E431 PolarHBondContact OD1-N 2.81Å; N428-H432 PolarHBondContact O-CD2 3.42Å; N428-H432 VanDerWaalsContact O-CD2 3.31Å; N428-H432 PolarHBondContact O-N 3.24Å
429	P	98.9	Very high	98.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-27.4	-175.1	-24.2	34.2	0	0	0	114.7	M319 Y324 V327 A418 I421 H432 Y433	M319-P429 HydrophobicContact CE-CB 4.04Å; M319-P429 HydrophobicContact SD-CB 3.7Å; Y324-P429 HydrophobicContact CD2-CB 3.74Å; Y324-P429 HydrophobicContact CD2-CG 4.29Å; Y324-P429 HydrophobicContact CE2-CB 3.77Å; Y324-P429 HydrophobicContact CE2-CG 3.85Å; V327-P429 HydrophobicContact CG1-CB 3.98Å; V327-P429 WeakPolarHBondContact CG2-O 3.49Å; A418-P429 HydrophobicContact CB-CG 3.74Å; I421-P429 HydrophobicContact CB-CG 4.47Å; I421-P429 HydrophobicContact CD1-CG 4.46Å; I421-P429 HydrophobicContact CG2-CG 4.28Å; P429-H432 PolarHBondContact O-N 3.34Å; P429-Y433 PolarHBondContact O-N 3.28Å
430	Q	98.8	Very high	98.7	Very high	31 Å²	31	47 Å²	47	15%	0.145	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-36.5	176.1	-176.4	57.7	61.3	0	0	111.5	T314 A316 M319 N428 Y433 N434	T314-Q430 HydrophobicContact CG2-CB 4.07Å; A316-Q430 HydrophobicContact CB-CG 4.22Å; M319-Q430 HydrophobicContact CE-CB 4.26Å; M319-Q430 HydrophobicContact CG-CB 4.29Å; M319-Q430 HydrophobicContact SD-CB 4.11Å; N428-Q430 VanDerWaalsContact C-N 3.25Å; N428-Q430 PolarHBondContact O-N 2.72Å; N428-Q430 WeakPolarHBondContact OD1-CA 3.34Å; N428-Q430 WeakPolarHBondContact OD1-CB 3.39Å; N428-Q430 PolarHBondContact OD1-N 2.74Å; Q430-Y433 PolarHBondContact O-N 3.11Å; Q430-N434 PolarHBondContact NE2-OD1 2.95Å; Q430-N434 PolarHBondContact O-N 3.01Å; Q430-N434 PolarHBondContact O-ND2 3.04Å; Q430-N434 PolarHBondContact O-OD1 2.88Å
431	E	98.9	Very high	98.6	Very high	87 Å²	87	48.2 Å²	48.2	41%	0.407	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-42.8	173.9	-65.5	174	108.6	0	0	111.5	K427 N428 Y433 N434 E435	K427-E431 WeakPolarHBondContact CA-OE2 3.42Å; K427-E431 HydrophobicContact CB-CB 4.16Å; N428-E431 PolarHBondContact N-OE2 3Å; N428-E431 PolarHBondContact ND2-OE2 3.23Å; N428-E431 WeakPolarHBondContact O-CB 3.27Å; N428-E431 PolarHBondContact O-N 3.37Å; N428-E431 VanDerWaalsContact O-N 3.08Å; N428-E431 PolarHBondContact OD1-N 2.81Å; E431-Y433 VanDerWaalsContact C-N 3.33Å; E431-Y433 PolarHBondContact O-N 3.12Å; E431-N434 WeakPolarHBondContact O-CB 3.13Å; E431-N434 PolarHBondContact O-N 2.95Å; E431-E435 PolarHBondContact O-N 3.18Å; E431-E435 VanDerWaalsContact O-N 3.15Å
432	H	98.9	Very high	98.4	Very high	23 Å²	23	51.3 Å²	51.3	11%	0.106	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-43	172.4	-77.6	-80.4	0	0	0	112.2	V327 I421 T425 K427 N428 P429 N434 E435 L436	V327-H432 HydrophobicContact CB-CB 4.43Å; V327-H432 HydrophobicContact CG1-CB 3.59Å; V327-H432 HydrophobicContact CG2-CB 3.92Å; I421-H432 VanDerWaalsContact CG2-CD2 3.48Å; I421-H432 WeakPolarHBondContact CG2-CD2 3.25Å; T425-H432 PolarHBondContact OG1-NE2 3.48Å; K427-H432 PolarHBondContact O-CD2 2.89Å; K427-H432 PolarHBondContact O-NE2 2.74Å; N428-H432 PolarHBondContact O-CD2 3.42Å; N428-H432 VanDerWaalsContact O-CD2 3.31Å; N428-H432 PolarHBondContact O-N 3.24Å; P429-H432 PolarHBondContact O-N 3.34Å; H432-N434 VanDerWaalsContact C-N 3.3Å; H432-N434 PolarHBondContact O-N 2.91Å; H432-E435 WeakPolarHBondContact O-CB 3.19Å; H432-E435 PolarHBondContact O-N 3.34Å; H432-E435 VanDerWaalsContact O-N 3.12Å; H432-L436 PolarHBondContact O-N 3.41Å
433	Y	98.8	Very high	98.3	Very high	10 Å²	10	51.2 Å²	51.2	4%	0.039	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-39	177	-176	-97.1	0	0	0	111.7	H323 V327 M354 P429 Q430 E431 E435 L436 A437 P443	H323-Y433 VanDerWaalsContact CA-CD2 3.49Å; H323-Y433 HydrophobicContact CB-CD1 4.03Å; H323-Y433 HydrophobicContact CB-CD2 3.39Å; H323-Y433 HydrophobicContact CB-CE1 4.17Å; H323-Y433 HydrophobicContact CB-CE2 3.54Å; H323-Y433 HydrophobicContact CB-CG 3.64Å; H323-Y433 AromaticContact CD2-CE1 3.78Å; H323-Y433 AromaticContact CD2-CE2 3.5Å; H323-Y433 VanDerWaalsContact CD2-CE2 3.5Å; H323-Y433 WeakPolarHBondContact CD2-CE2 3.24Å; H323-Y433 AromaticContact CD2-CZ 3.2Å; H323-Y433 PolarHBondContact CD2-OH 2.92Å; H323-Y433 AromaticContact CE1-CE1 3.46Å; H323-Y433 VanDerWaalsContact CE1-CE1 3.46Å; H323-Y433 WeakPolarHBondContact CE1-CE1 3.47Å; H323-Y433 AromaticContact CE1-CZ 3.68Å; H323-Y433 AromaticContact CG-CD1 3.78Å; H323-Y433 AromaticContact CG-CD2 3.74Å; H323-Y433 AromaticContact CG-CE1 3.48Å; H323-Y433 VanDerWaalsContact CG-CE1 3.48Å; H323-Y433 AromaticContact CG-CE2 3.42Å; H323-Y433 VanDerWaalsContact CG-CE2 3.42Å; H323-Y433 AromaticContact CG-CG 3.89Å; H323-Y433 AromaticContact CG-CZ 3.28Å; H323-Y433 AromaticContact ND1-CD1 3.57Å; H323-Y433 AromaticContact ND1-CE1 3.28Å; H323-Y433 VanDerWaalsContact ND1-CE1 3.28Å; H323-Y433 WeakPolarHBondContact ND1-CE1 3.31Å; H323-Y433 AromaticContact ND1-CZ 3.59Å; H323-Y433 AromaticContact NE2-CE1 3.79Å; H323-Y433 AromaticContact NE2-CZ 3.49Å; H323-Y433 PolarHBondContact NE2-OH 3.46Å; V327-Y433 HydrophobicContact CG2-CD2 4.36Å; M354-Y433 HydrophobicContact CE-CE2 4.5Å; M354-Y433 HydrophobicContact CG-CE2 4.33Å; P429-Y433 PolarHBondContact O-N 3.28Å; Q430-Y433 PolarHBondContact O-N 3.11Å; E431-Y433 VanDerWaalsContact C-N 3.33Å; E431-Y433 PolarHBondContact O-N 3.12Å; Y433-E435 PolarHBondContact O-N 3.36Å; Y433-L436 PolarHBondContact O-N 3.18Å; Y433-L436 VanDerWaalsContact O-N 3.16Å; Y433-A437 HydrophobicContact CE1-CB 4.25Å; Y433-A437 WeakPolarHBondContact O-CB 3.49Å; Y433-A437 PolarHBondContact O-N 3.29Å; Y433-P443 WeakPolarHBondContact OH-CD 3.39Å; Y433-P443 WeakPolarHBondContact OH-CG 3.32Å
434	N	98.7	Very high	98.2	Very high	72 Å²	72	51 Å²	51	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-60.7	-33.1	175.6	-62.7	-20.1	0	0	0	111.9	Q430 E431 H432 K438	Q430-N434 PolarHBondContact NE2-OD1 2.95Å; Q430-N434 PolarHBondContact O-N 3.01Å; Q430-N434 PolarHBondContact O-ND2 3.04Å; Q430-N434 PolarHBondContact O-OD1 2.88Å; E431-N434 WeakPolarHBondContact O-CB 3.13Å; E431-N434 PolarHBondContact O-N 2.95Å; H432-N434 VanDerWaalsContact C-N 3.3Å; H432-N434 PolarHBondContact O-N 2.91Å; N434-K438 VanDerWaalsContact O-CG 3.28Å; N434-K438 WeakPolarHBondContact O-CG 3.3Å; N434-K438 PolarHBondContact O-N 3.29Å; N434-K438 VanDerWaalsContact O-N 3.08Å
435	E	98.8	Very high	98	Very high	77 Å²	77	50.4 Å²	50.4	36%	0.36	27%	0.273	S	S	.	.	H	α-helix	trans	-71.5	-41.8	173.5	-66.6	-176.8	171.5	0	0	112.4	K427 E431 H432 Y433 A437 K438 R439	K427-E435 IonicContact NZ-OE1 3.98Å; K427-E435 PolarHBondContact NZ-OE1 2.83Å; K427-E435 IonicContact NZ-OE2 3.69Å; K427-E435 PolarHBondContact NZ-OE2 3.46Å; E431-E435 PolarHBondContact O-N 3.18Å; E431-E435 VanDerWaalsContact O-N 3.15Å; H432-E435 WeakPolarHBondContact O-CB 3.19Å; H432-E435 PolarHBondContact O-N 3.34Å; H432-E435 VanDerWaalsContact O-N 3.12Å; Y433-E435 PolarHBondContact O-N 3.36Å; E435-A437 VanDerWaalsContact C-N 3.34Å; E435-A437 PolarHBondContact O-N 3.34Å; E435-K438 PolarHBondContact O-N 2.93Å; E435-R439 WeakPolarHBondContact O-CG 3.39Å; E435-R439 PolarHBondContact O-N 3.28Å
436	L	98.7	Very high	97.7	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-44.9	172.3	-66.2	179.6	0	0	0	111.3	A326 V327 N330 M354 V358 H432 Y433 K438 R439 F440	A326-L436 HydrophobicContact CB-CD1 4.25Å; V327-L436 HydrophobicContact CG2-CD1 3.98Å; N330-L436 HydrophobicContact CB-CD1 4.43Å; M354-L436 HydrophobicContact SD-CB 4.15Å; V358-L436 HydrophobicContact CG2-CD1 3.94Å; V358-L436 HydrophobicContact CG2-CD2 3.92Å; H432-L436 PolarHBondContact O-N 3.41Å; Y433-L436 PolarHBondContact O-N 3.18Å; Y433-L436 VanDerWaalsContact O-N 3.16Å; L436-K438 VanDerWaalsContact C-N 3.3Å; L436-K438 PolarHBondContact O-N 3Å; L436-R439 PolarHBondContact O-N 3.37Å; L436-R439 VanDerWaalsContact O-N 3.14Å; L436-F440 HydrophobicContact CD2-CD2 4.34Å; L436-F440 HydrophobicContact CD2-CE2 4.06Å; L436-F440 WeakPolarHBondContact O-CB 3.34Å; L436-F440 PolarHBondContact O-N 2.94Å
437	A	98.3	Very high	97.3	Very high	18 Å²	18	53.3 Å²	53.3	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-34.1	177.2	0	0	0	0	0	112.6	Y433 E435 G441 A442	Y433-A437 HydrophobicContact CE1-CB 4.25Å; Y433-A437 WeakPolarHBondContact O-CB 3.49Å; Y433-A437 PolarHBondContact O-N 3.29Å; E435-A437 VanDerWaalsContact C-N 3.34Å; E435-A437 PolarHBondContact O-N 3.34Å; A437-G441 WeakPolarHBondContact CA-O 3.47Å; A437-G441 CarbonylContact O-C 3.33Å; A437-G441 WeakPolarHBondContact O-CA 3.28Å; A437-G441 PolarHBondContact O-N 3.3Å; A437-A442 HydrophobicContact CB-CB 4.07Å
438	K	98.2	Very high	96.8	Very high	176 Å²	176	52.1 Å²	52.1	77%	0.765	26%	0.258	S	S	*	.	H	α-helix	trans	-68.1	-39	172.5	-76.1	166.7	-177.9	172.4	0	112.5	N434 E435 L436	N434-K438 VanDerWaalsContact O-CG 3.28Å; N434-K438 WeakPolarHBondContact O-CG 3.3Å; N434-K438 PolarHBondContact O-N 3.29Å; N434-K438 VanDerWaalsContact O-N 3.08Å; E435-K438 PolarHBondContact O-N 2.93Å; L436-K438 VanDerWaalsContact C-N 3.3Å; L436-K438 PolarHBondContact O-N 3Å
439	R	97.9	Very high	96.2	Very high	137 Å²	137	54.4 Å²	54.4	52%	0.517	27%	0.268	S	S	.	.	H	α-helix	trans	-74.6	-41	-178.8	-71.6	174.9	64.9	-166.3	-1.2	112.5	D361 E435 L436	D361-R439 IonicContact OD1-NH2 3.58Å; D361-R439 PolarHBondContact OD1-NH2 2.97Å; D361-R439 IonicContact OD2-CZ 2.65Å; D361-R439 IonicContact OD2-NH1 3.41Å; D361-R439 IonicContact OD2-NH2 3.61Å; D361-R439 PolarHBondContact OD2-NH2 3.18Å; E435-R439 WeakPolarHBondContact O-CG 3.39Å; E435-R439 PolarHBondContact O-N 3.28Å; L436-R439 PolarHBondContact O-N 3.37Å; L436-R439 VanDerWaalsContact O-N 3.14Å
440	F	97.1	Very high	95.5	Very high	41 Å²	41	55.9 Å²	55.9	18%	0.18	28%	0.281	C	S	.	.	H	α-helix	trans	-116.4	0.9	-168.5	-60.2	-56.6	0	0	0	113.5	M354 R357 V358 D361 L436 F522	M354-F440 HydrophobicContact CE-CB 4.08Å; M354-F440 HydrophobicContact SD-CB 3.87Å; M354-F440 HydrophobicContact SD-CD2 3.8Å; M354-F440 HydrophobicContact SD-CG 4.24Å; R357-F440 HydrophobicContact CB-CD1 4.07Å; R357-F440 HydrophobicContact CB-CD2 4.31Å; R357-F440 HydrophobicContact CB-CE1 4.36Å; R357-F440 HydrophobicContact CB-CG 4.05Å; R357-F440 PolarHBondContact NH1-O 3.2Å; V358-F440 HydrophobicContact CG2-CE2 4.43Å; D361-F440 HydrophobicContact CB-CZ 3.91Å; L436-F440 HydrophobicContact CD2-CD2 4.34Å; L436-F440 HydrophobicContact CD2-CE2 4.06Å; L436-F440 WeakPolarHBondContact O-CB 3.34Å; L436-F440 PolarHBondContact O-N 2.94Å; F440-F522 WeakPolarHBondContact O-CD1 3.36Å
441	G	96.6	Very high	95	Very high	29 Å²	29	58.7 Å²	58.7	30%	0.299	31%	0.309	S	S	.	.			trans	84.3	155.5	-170.2	0	0	0	0	0	112.4	M354 A437 P443	M354-G441 VanDerWaalsContact CE-O 3.24Å; M354-G441 WeakPolarHBondContact CE-O 3.15Å; A437-G441 WeakPolarHBondContact CA-O 3.47Å; A437-G441 CarbonylContact O-C 3.33Å; A437-G441 WeakPolarHBondContact O-CA 3.28Å; A437-G441 PolarHBondContact O-N 3.3Å; G441-P443 WeakPolarHBondContact O-CD 3.28Å
442	A	96.6	Very high	94.6	Very high	64 Å²	64	54.9 Å²	54.9	53%	0.529	29%	0.292	S	S	.	.			trans	-97.4	97.8	-177.1	0	0	0	0	0	110.2	A437	A437-A442 HydrophobicContact CB-CB 4.07Å
443	P	96.5	Very high	94.2	Very high	13 Å²	13	57.4 Å²	57.4	8%	0.084	31%	0.31	C	S	.	.			trans	-65.3	143	-178.7	27.5	-34.9	0	0	0	111.7	M354 Y433 G441 E520 S521 F522	M354-P443 HydrophobicContact CE-CG 4.15Å; Y433-P443 WeakPolarHBondContact OH-CD 3.39Å; Y433-P443 WeakPolarHBondContact OH-CG 3.32Å; G441-P443 WeakPolarHBondContact O-CD 3.28Å; P443-E520 HydrophobicContact CB-CG 3.76Å; P443-S521 CarbonylContact C-O 3.55Å; P443-S521 VanDerWaalsContact CA-O 3.27Å; P443-S521 WeakPolarHBondContact CA-O 3.45Å; P443-F522 HydrophobicContact CB-CD1 4.08Å; P443-F522 HydrophobicContact CB-CD2 4.13Å; P443-F522 HydrophobicContact CB-CE1 3.96Å; P443-F522 HydrophobicContact CB-CE2 3.94Å; P443-F522 HydrophobicContact CB-CG 4.2Å; P443-F522 HydrophobicContact CB-CZ 3.89Å; P443-F522 HydrophobicContact CG-CD1 4.41Å; P443-F522 HydrophobicContact CG-CE1 3.92Å; P443-F522 HydrophobicContact CG-CE2 4.48Å; P443-F522 HydrophobicContact CG-CZ 3.95Å
444	S	96	Very high	93.8	Very high	20 Å²	20	60.7 Å²	60.7	14%	0.14	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.4	170.3	-166.1	0	0	0	0	108.4	E520 S521 R528	S444-E520 CarbonylContact O-C 3.59Å; S444-E520 VanDerWaalsContact O-CA 3.27Å; S444-E520 WeakPolarHBondContact O-CA 3.48Å; S444-S521 PolarHBondContact N-O 3.12Å; S444-S521 PolarHBondContact O-N 3.35Å; S444-R528 WeakPolarHBondContact O-CD 3.34Å; S444-R528 WeakPolarHBondContact O-CG 3.45Å; S444-R528 PolarHBondContact OG-NH1 2.89Å
445	Y	95.3	Very high	93.5	Very high	45 Å²	45	59.5 Å²	59.5	18%	0.176	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.5	-178.6	-174	-82.9	0	0	0	111.1	V350 W503 Y518 C519 E520	V350-Y445 WeakPolarHBondContact O-CE2 3.3Å; V350-Y445 PolarHBondContact O-OH 2.9Å; Y445-W503 HydrophobicContact CD2-CZ2 4.37Å; Y445-W503 AromaticContact CE2-CH2 3.86Å; Y445-W503 HydrophobicContact CE2-CH2 3.86Å; Y445-W503 AromaticContact CE2-CZ2 3.83Å; Y445-W503 HydrophobicContact CE2-CZ2 3.83Å; Y445-Y518 VanDerWaalsContact OH-CD1 3.24Å; Y445-Y518 WeakPolarHBondContact OH-CD1 3.48Å; Y445-C519 CarbonylContact C-O 3.58Å; Y445-C519 WeakPolarHBondContact CA-O 3.37Å; Y445-E520 HydrophobicContact CD2-CB 3.91Å; Y445-E520 HydrophobicContact CD2-CG 4.17Å
446	N	91.7	Very high	93.2	Very high	48 Å²	48	58.5 Å²	58.5	26%	0.257	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.1	171.3	-166	16.2	0	0	0	112.2	C519 E532	N446-C519 PolarHBondContact N-O 2.96Å; N446-C519 PolarHBondContact O-N 2.92Å; N446-C519 PolarHBondContact O-SG 3.27Å; N446-C519 VanDerWaalsContact O-SG 3.37Å; N446-E532 WeakPolarHBondContact CB-OE1 3.29Å; N446-E532 PolarHBondContact ND2-OE1 3.43Å
447	R	90.3	Very high	92.9	Very high	125 Å²	125	60 Å²	60	47%	0.472	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.4	172.6	-172.3	-176.8	74.4	-179.9	2.4	110.2	I517 Y518	R447-I517 CarbonylContact C-O 3.58Å; R447-I517 VanDerWaalsContact CA-O 3.31Å; R447-I517 WeakPolarHBondContact CA-O 3.27Å; R447-Y518 HydrophobicContact CB-CD1 4.3Å; R447-Y518 HydrophobicContact CG-CD1 3.79Å; R447-Y518 HydrophobicContact CG-CE1 3.79Å; R447-Y518 HydrophobicContact CG-CG 4.47Å
448	L	88.2	Confident	92.6	Very high	49 Å²	49	61.6 Å²	61.6	26%	0.257	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	160.4	174.3	-56.4	178.2	0	0	0	110.8	K516 I517 E532	L448-K516 WeakPolarHBondContact O-CA 3.3Å; L448-I517 HydrophobicContact CB-CB 4.3Å; L448-I517 PolarHBondContact N-O 3.46Å; L448-I517 PolarHBondContact O-N 3.19Å; L448-E532 HydrophobicContact CD1-CB 3.7Å; L448-E532 HydrophobicContact CD1-CG 3.64Å; L448-E532 HydrophobicContact CG-CG 4.3Å
449	Q	86.4	Confident	92.4	Very high	73 Å²	73	54.6 Å²	54.6	34%	0.341	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.4	171	178.1	173.7	-21.2	0	0	108.7	E512 A514 Y515	Q449-E512 PolarHBondContact NE2-OE2 3.18Å; Q449-A514 HydrophobicContact CG-CB 3.8Å; Q449-A514 VanDerWaalsContact NE2-CB 3.34Å; Q449-Y515 WeakPolarHBondContact CA-O 3.44Å
450	A	84.3	Confident	92.3	Very high	32 Å²	32	48 Å²	48	26%	0.264	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.8	175.8	0	0	0	0	0	110	A514 Y515	A450-A514 CarbonylContact O-C 3.6Å; A450-A514 WeakPolarHBondContact O-CA 3.15Å; A450-A514 WeakPolarHBondContact O-CB 3.33Å; A450-Y515 HydrophobicContact CB-CE1 4.08Å; A450-Y515 HydrophobicContact CB-CE2 3.85Å; A450-Y515 PolarHBondContact N-O 2.88Å; A450-Y515 PolarHBondContact O-N 2.89Å
451	A	88.3	Confident	92	Very high	90 Å²	90	48.3 Å²	48.3	74%	0.744	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	145.5	176.8	0	0	0	0	0	110.9
452	A	90.4	Very high	91.9	Very high	6 Å²	6	55.1 Å²	55.1	5%	0.05	33%	0.327	C	S	.	.			trans	-151.6	136.5	-179.7	0	0	0	0	0	109.8	Q456 K457 D513 Y515	A452-Q456 HydrophobicContact CB-CB 4.29Å; A452-K457 HydrophobicContact CB-CG 4.04Å; A452-D513 PolarHBondContact N-O 3.26Å; A452-D513 CarbonylContact O-C 3.53Å; A452-D513 WeakPolarHBondContact O-CB 3.4Å; A452-D513 VanDerWaalsContact O-O 3.06Å; A452-Y515 HydrophobicContact CB-CD1 3.67Å; A452-Y515 HydrophobicContact CB-CE1 4.37Å
453	T	91.7	Very high	91.8	Very high	77 Å²	77	52.7 Å²	52.7	47%	0.472	31%	0.305	S	S	.	.			trans	-67.7	160.2	174	71.1	0	0	0	0	110.8	A455 Q456 K457	T453-A455 PolarHBondContact O-N 3.39Å; T453-Q456 WeakPolarHBondContact O-CB 3.27Å; T453-Q456 PolarHBondContact O-N 2.67Å; T453-Q456 WeakPolarHBondContact OG1-CG 3.45Å; T453-Q456 PolarHBondContact OG1-N 3.16Å; T453-Q456 VanDerWaalsContact OG1-N 3.17Å; T453-K457 PolarHBondContact O-N 3.19Å
454	S	89.3	Confident	91.7	Very high	78 Å²	78	54.1 Å²	54.1	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-56.5	-36.4	174.3	-51.9	0	0	0	0	112.7	K457 A458	S454-K457 PolarHBondContact O-N 3.49Å; S454-A458 WeakPolarHBondContact O-CB 3.44Å; S454-A458 PolarHBondContact O-N 3.26Å
455	A	92	Very high	91.6	Very high	47 Å²	47	55 Å²	55	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-46	174.5	0	0	0	0	0	111.6	T453 K457 A458 A459	T453-A455 PolarHBondContact O-N 3.39Å; A455-K457 PolarHBondContact O-N 3.02Å; A455-A458 PolarHBondContact O-N 3.44Å; A455-A459 WeakPolarHBondContact O-CB 3.29Å; A455-A459 PolarHBondContact O-N 3.47Å
456	Q	93.9	Very high	91.6	Very high	57 Å²	57	59.9 Å²	59.9	27%	0.266	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-40.7	175.8	-73.1	172.3	-26.2	0	0	112.5	A452 T453 A458 A459 L460 L543 A546	A452-Q456 HydrophobicContact CB-CB 4.29Å; T453-Q456 WeakPolarHBondContact O-CB 3.27Å; T453-Q456 PolarHBondContact O-N 2.67Å; T453-Q456 WeakPolarHBondContact OG1-CG 3.45Å; T453-Q456 PolarHBondContact OG1-N 3.16Å; T453-Q456 VanDerWaalsContact OG1-N 3.17Å; Q456-A458 VanDerWaalsContact C-N 3.35Å; Q456-A458 PolarHBondContact O-N 2.9Å; Q456-A459 PolarHBondContact O-N 3.07Å; Q456-L460 WeakPolarHBondContact O-CB 3.49Å; Q456-L460 PolarHBondContact O-N 3.17Å; Q456-L543 HydrophobicContact CB-CD1 4.29Å; Q456-L543 HydrophobicContact CG-CB 4.35Å; Q456-A546 HydrophobicContact CG-CB 4.22Å
457	K	92.5	Very high	91.8	Very high	36 Å²	36	62.1 Å²	62.1	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-42.8	174.9	-72.4	173.5	60.7	-179.3	0	111.9	A452 T453 S454 A455 S461 P508 S509 E512 D513	A452-K457 HydrophobicContact CB-CG 4.04Å; T453-K457 PolarHBondContact O-N 3.19Å; S454-K457 PolarHBondContact O-N 3.49Å; A455-K457 PolarHBondContact O-N 3.02Å; K457-S461 PolarHBondContact O-N 3.24Å; K457-S461 PolarHBondContact O-OG 2.9Å; K457-P508 HydrophobicContact CB-CB 3.98Å; K457-P508 HydrophobicContact CG-CB 4.09Å; K457-S509 WeakPolarHBondContact CE-O 3.46Å; K457-S509 PolarHBondContact NZ-O 3.04Å; K457-E512 WeakPolarHBondContact CE-O 3.46Å; K457-E512 PolarHBondContact NZ-O 3.49Å; K457-D513 IonicContact NZ-OD1 2.87Å
458	A	91.8	Very high	92	Very high	50 Å²	50	56.6 Å²	56.6	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-65.6	-41.4	177	0	0	0	0	0	111.8	S454 A455 Q456 S461	S454-A458 WeakPolarHBondContact O-CB 3.44Å; S454-A458 PolarHBondContact O-N 3.26Å; A455-A458 PolarHBondContact O-N 3.44Å; Q456-A458 VanDerWaalsContact C-N 3.35Å; Q456-A458 PolarHBondContact O-N 2.9Å; A458-S461 PolarHBondContact O-N 2.87Å
459	A	94.6	Very high	92.4	Very high	29 Å²	29	58.3 Å²	58.3	24%	0.24	35%	0.351	C	S	.	.	H	α-helix	trans	-65.4	-44.5	176.2	0	0	0	0	0	112.2	A455 Q456 S461 K462 L463 L543 A546	A455-A459 WeakPolarHBondContact O-CB 3.29Å; A455-A459 PolarHBondContact O-N 3.47Å; Q456-A459 PolarHBondContact O-N 3.07Å; A459-S461 PolarHBondContact O-N 3.34Å; A459-K462 PolarHBondContact O-N 3.2Å; A459-L463 PolarHBondContact O-N 2.8Å; A459-L543 HydrophobicContact CB-CD2 3.88Å; A459-A546 HydrophobicContact CB-CB 3.56Å
460	L	94.5	Very high	92.9	Very high	0 Å²	0	56 Å²	56	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-56.8	-35.2	177.4	-177.8	57.9	0	0	0	112.3	Q456 K462 L463 G494 A506 Y515 L543	Q456-L460 WeakPolarHBondContact O-CB 3.49Å; Q456-L460 PolarHBondContact O-N 3.17Å; L460-K462 PolarHBondContact O-N 3.24Å; L460-L463 HydrophobicContact CD1-CD1 3.68Å; L460-G494 WeakPolarHBondContact O-CA 3.46Å; L460-A506 HydrophobicContact CD1-CB 4.26Å; L460-Y515 HydrophobicContact CD2-CG 4.14Å; L460-L543 HydrophobicContact CB-CD1 4.27Å; L460-L543 HydrophobicContact CB-CD2 3.93Å
461	S	92.3	Very high	93.5	Very high	46 Å²	46	58.4 Å²	58.4	32%	0.322	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-15	179.1	-53.1	0	0	0	0	114	K457 A458 A459 P508	K457-S461 PolarHBondContact O-N 3.24Å; K457-S461 PolarHBondContact O-OG 2.9Å; A458-S461 PolarHBondContact O-N 2.87Å; A459-S461 PolarHBondContact O-N 3.34Å; S461-P508 WeakPolarHBondContact OG-CG 3.26Å
462	K	93.6	Very high	94	Very high	172 Å²	172	57.5 Å²	57.5	75%	0.748	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	16.1	-170.6	-65.9	-178.7	179.6	179.7	0	113.3	A459 L460	A459-K462 PolarHBondContact O-N 3.2Å; L460-K462 PolarHBondContact O-N 3.24Å
463	L	94.2	Very high	94.3	Very high	14 Å²	14	57.2 Å²	57.2	7%	0.073	34%	0.343	C	S	.	.			trans	-63.3	153	177.7	-63.8	178.6	0	0	0	111.6	A459 L460 M467 T483 L495 V542	A459-L463 PolarHBondContact O-N 2.8Å; L460-L463 HydrophobicContact CD1-CD1 3.68Å; L463-M467 HydrophobicContact CB-SD 4.46Å; L463-M467 HydrophobicContact CD2-CE 3.58Å; L463-M467 HydrophobicContact CD2-SD 3.89Å; L463-T483 HydrophobicContact CB-CG2 4.23Å; L463-T483 WeakPolarHBondContact O-CG2 3.47Å; L463-L495 HydrophobicContact CD1-CB 4.1Å; L463-L495 HydrophobicContact CD1-CD2 4.46Å; L463-V542 HydrophobicContact CD1-CG2 3.82Å; L463-V542 HydrophobicContact CD2-CB 4.19Å; L463-V542 HydrophobicContact CD2-CG2 4.17Å
464	S	94.2	Very high	94.6	Very high	43 Å²	43	54.2 Å²	54.2	30%	0.301	33%	0.325	S	S	.	.			trans	-111.6	153.9	164.4	83.2	0	0	0	0	110.6	E466 M467	S464-E466 WeakPolarHBondContact CB-OE2 3.09Å; S464-E466 PolarHBondContact O-N 3.37Å; S464-E466 PolarHBondContact OG-OE2 3.27Å; S464-M467 PolarHBondContact N-SD 3.48Å; S464-M467 WeakPolarHBondContact O-CB 3.42Å; S464-M467 PolarHBondContact O-N 2.95Å; S464-M467 VanDerWaalsContact O-N 3.16Å
465	P	95.3	Very high	95.1	Very high	38 Å²	38	53.6 Å²	53.6	25%	0.247	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-55.8	-34.1	-177.8	-27.9	37.6	0	0	0	114.2	M467 V468 R481 T483	P465-M467 PolarHBondContact O-N 3Å; P465-V468 PolarHBondContact O-N 3.25Å; P465-R481 HydrophobicContact CB-CB 4.12Å; P465-T483 HydrophobicContact CG-CG2 4.28Å
466	E	95.1	Very high	95.4	Very high	148 Å²	148	53 Å²	53	69%	0.692	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-73.6	-16.1	-175.4	-49.4	72.7	-155.8	0	0	112.8	S464 V468	S464-E466 WeakPolarHBondContact CB-OE2 3.09Å; S464-E466 PolarHBondContact O-N 3.37Å; S464-E466 PolarHBondContact OG-OE2 3.27Å; E466-V468 PolarHBondContact O-N 3.05Å
467	M	94.9	Very high	95.6	Very high	94 Å²	94	54.6 Å²	54.6	46%	0.463	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-69.6	-17.4	174.5	-64.6	176.4	67.1	0	0	112.3	L463 S464 P465 S469	L463-M467 HydrophobicContact CB-SD 4.46Å; L463-M467 HydrophobicContact CD2-CE 3.58Å; L463-M467 HydrophobicContact CD2-SD 3.89Å; S464-M467 PolarHBondContact N-SD 3.48Å; S464-M467 WeakPolarHBondContact O-CB 3.42Å; S464-M467 PolarHBondContact O-N 2.95Å; S464-M467 VanDerWaalsContact O-N 3.16Å; P465-M467 PolarHBondContact O-N 3Å; M467-S469 PolarHBondContact O-N 3.42Å
468	V	95.9	Very high	95.9	Very high	10 Å²	10	53.6 Å²	53.6	6%	0.061	33%	0.333	C	S	.	.			trans	-92.3	96.5	177.9	-176	0	0	0	0	109.2	P465 E466 A470 R481 L495 V497 I538 V542	P465-V468 PolarHBondContact O-N 3.25Å; E466-V468 PolarHBondContact O-N 3.05Å; V468-A470 VanDerWaalsContact C-N 3.3Å; V468-A470 HydrophobicContact CG1-CB 4.25Å; V468-A470 PolarHBondContact O-N 3.14Å; V468-R481 HydrophobicContact CB-CG 4.26Å; V468-R481 HydrophobicContact CG1-CG 4.32Å; V468-L495 HydrophobicContact CG2-CD1 3.84Å; V468-L495 HydrophobicContact CG2-CD2 3.57Å; V468-L495 HydrophobicContact CG2-CG 4.37Å; V468-V497 HydrophobicContact CG1-CG2 4.48Å; V468-I538 HydrophobicContact CG1-CG2 3.95Å; V468-V542 HydrophobicContact CG2-CG1 4.24Å
469	S	95.4	Very high	96.2	Very high	85 Å²	85	54.8 Å²	54.8	59%	0.594	34%	0.336	S	S	*	.			trans	-72.7	-20.5	-178.6	61.7	0	0	0	0	113.8	M467 S471 E541	M467-S469 PolarHBondContact O-N 3.42Å; S469-S471 PolarHBondContact O-N 3.48Å; S469-E541 PolarHBondContact OG-OE1 3.01Å
470	A	96.4	Very high	96.3	Very high	24 Å²	24	54.6 Å²	54.6	20%	0.198	33%	0.334	C	S	.	.			trans	-56.3	131.2	-178.8	0	0	0	0	0	111.6	V468 I478 R481 I538	V468-A470 VanDerWaalsContact C-N 3.3Å; V468-A470 HydrophobicContact CG1-CB 4.25Å; V468-A470 PolarHBondContact O-N 3.14Å; A470-I478 HydrophobicContact CB-CD1 3.89Å; A470-I478 VanDerWaalsContact O-CD1 3.28Å; A470-I478 WeakPolarHBondContact O-CD1 3.25Å; A470-R481 PolarHBondContact O-NH2 3.38Å; A470-I538 HydrophobicContact CB-CD1 4.07Å; A470-I538 HydrophobicContact CB-CG1 4.2Å
471	S	97.3	Very high	96.5	Very high	83 Å²	83	58.6 Å²	58.6	58%	0.58	35%	0.349	S	S	*	.			trans	-99.5	-18.7	176.6	56.9	0	0	0	0	113.4	S469 I478	S469-S471 PolarHBondContact O-N 3.48Å; S471-I478 PolarHBondContact O-N 3.28Å
472	T	98.3	Very high	96.8	Very high	70 Å²	70	58.1 Å²	58.1	43%	0.429	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.6	179.6	55.3	0	0	0	0	111.1	D476 I478	T472-D476 CarbonylContact C-O 3.49Å; T472-D476 WeakPolarHBondContact CA-O 3.38Å; T472-D476 WeakPolarHBondContact CB-O 3.3Å; T472-I478 WeakPolarHBondContact O-CD1 3.39Å
473	L	98.6	Very high	97	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	119.2	169.5	173.9	68.2	0	0	0	108.5	G475 D476 I478 V497 T499 F504 I531 E534 I538	L473-G475 PolarHBondContact O-N 3.36Å; L473-D476 PolarHBondContact N-O 2.84Å; L473-D476 PolarHBondContact O-N 2.74Å; L473-D476 VanDerWaalsContact O-N 3.12Å; L473-I478 HydrophobicContact CB-CD1 4.24Å; L473-I478 HydrophobicContact CB-CG1 3.86Å; L473-V497 HydrophobicContact CD2-CG1 4.21Å; L473-T499 HydrophobicContact CB-CG2 3.71Å; L473-T499 HydrophobicContact CD2-CG2 4.21Å; L473-T499 HydrophobicContact CG-CG2 4.34Å; L473-F504 HydrophobicContact CD1-CD1 3.94Å; L473-F504 HydrophobicContact CD1-CE1 4.02Å; L473-F504 HydrophobicContact CD2-CD1 3.76Å; L473-F504 HydrophobicContact CD2-CE1 4.22Å; L473-I531 HydrophobicContact CD1-CG2 4.37Å; L473-I531 HydrophobicContact CD2-CG2 4.31Å; L473-I531 HydrophobicContact CG-CG1 4.35Å; L473-E534 WeakPolarHBondContact CA-OE2 3.35Å; L473-E534 HydrophobicContact CD1-CB 3.82Å; L473-I538 HydrophobicContact CD1-CD1 4.34Å
474	A	98	Very high	97.1	Very high	13 Å²	13	52.4 Å²	52.4	11%	0.107	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	31.7	-179.2	0	0	0	0	0	114.9	H527 Q530 I531 E534	A474-H527 WeakPolarHBondContact CB-NE2 3.44Å; A474-H527 PolarHBondContact O-NE2 3.3Å; A474-H527 VanDerWaalsContact O-NE2 3.15Å; A474-Q530 HydrophobicContact CB-CB 4.13Å; A474-Q530 HydrophobicContact CB-CG 3.83Å; A474-I531 HydrophobicContact CB-CG1 3.56Å; A474-E534 VanDerWaalsContact CA-OE1 3.28Å; A474-E534 WeakPolarHBondContact CA-OE1 3.25Å; A474-E534 VanDerWaalsContact N-CD 3.26Å; A474-E534 PolarHBondContact N-OE1 2.75Å; A474-E534 PolarHBondContact N-OE2 2.95Å
475	G	97.7	Very high	97.3	Very high	65 Å²	65	50.4 Å²	50.4	67%	0.67	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	-9.7	180	0	0	0	0	0	114.8	L473	L473-G475 PolarHBondContact O-N 3.36Å
476	D	98.3	Very high	97.4	Very high	35 Å²	35	52.7 Å²	52.7	19%	0.187	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	148	177.7	-67.2	-48.2	0	0	0	112.2	T472 L473 T499 N501 H527	T472-D476 CarbonylContact C-O 3.49Å; T472-D476 WeakPolarHBondContact CA-O 3.38Å; T472-D476 WeakPolarHBondContact CB-O 3.3Å; L473-D476 PolarHBondContact N-O 2.84Å; L473-D476 PolarHBondContact O-N 2.74Å; L473-D476 VanDerWaalsContact O-N 3.12Å; D476-T499 HydrophobicContact CB-CG2 3.83Å; D476-N501 VanDerWaalsContact CG-ND2 3.29Å; D476-N501 PolarHBondContact OD1-ND2 2.99Å; D476-N501 VanDerWaalsContact OD2-CB 3.29Å; D476-N501 WeakPolarHBondContact OD2-CB 3.43Å; D476-N501 PolarHBondContact OD2-ND2 3.08Å; D476-H527 IonicContact OD2-CE1 3.6Å; D476-H527 IonicContact OD2-NE2 2.65Å
477	P	98.5	Very high	97.5	Very high	91 Å²	91	47.3 Å²	47.3	59%	0.591	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.5	172.1	-21.4	33.1	0	0	0	112.2	T479 T499	P477-T479 PolarHBondContact O-N 3.4Å; P477-T499 WeakPolarHBondContact O-CG2 3.2Å
478	I	98.7	Very high	97.6	Very high	14 Å²	14	46 Å²	46	7%	0.072	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-71.7	120	173.9	-70.3	165.4	0	0	0	109.6	A470 S471 T472 L473 A480 R481 V497 M498	A470-I478 HydrophobicContact CB-CD1 3.89Å; A470-I478 VanDerWaalsContact O-CD1 3.28Å; A470-I478 WeakPolarHBondContact O-CD1 3.25Å; S471-I478 PolarHBondContact O-N 3.28Å; T472-I478 WeakPolarHBondContact O-CD1 3.39Å; L473-I478 HydrophobicContact CB-CD1 4.24Å; L473-I478 HydrophobicContact CB-CG1 3.86Å; I478-A480 WeakPolarHBondContact CG2-O 3.41Å; I478-R481 HydrophobicContact CG2-CG 4Å; I478-R481 VanDerWaalsContact CG2-CZ 3.45Å; I478-R481 VanDerWaalsContact CG2-NE 3.3Å; I478-V497 HydrophobicContact CB-CG1 4.38Å; I478-V497 HydrophobicContact CD1-CG1 3.66Å; I478-V497 HydrophobicContact CG1-CG1 3.73Å; I478-V497 HydrophobicContact CG2-CG1 3.71Å; I478-M498 CarbonylContact C-O 3.12Å; I478-M498 WeakPolarHBondContact CA-O 3.29Å
479	T	98.2	Very high	97.6	Very high	76 Å²	76	48.2 Å²	48.2	47%	0.466	33%	0.332	S	S	.	.			trans	-90.2	-26.9	180	56.7	0	0	0	0	112.5	P477 M498	P477-T479 PolarHBondContact O-N 3.4Å; T479-M498 PolarHBondContact N-O 2.88Å; T479-M498 PolarHBondContact OG1-O 3.48Å
480	A	97.8	Very high	97.7	Very high	25 Å²	25	45 Å²	45	21%	0.207	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	146.4	176.8	0	0	0	0	0	113.1	I478 L482 V497 M498	I478-A480 WeakPolarHBondContact CG2-O 3.41Å; A480-L482 HydrophobicContact CB-CD2 4.24Å; A480-L482 HydrophobicContact CB-CG 4.16Å; A480-V497 WeakPolarHBondContact O-CA 3.28Å; A480-M498 HydrophobicContact CB-CB 4.23Å; A480-M498 HydrophobicContact CB-CG 4.47Å; A480-M498 HydrophobicContact CB-SD 4.29Å; A480-M498 PolarHBondContact N-O 3.19Å; A480-M498 PolarHBondContact O-N 2.84Å
481	R	98.3	Very high	97.7	Very high	84 Å²	84	47.6 Å²	47.6	32%	0.317	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.8	164.6	-58.3	91.7	170.5	165.3	5.4	107.6	P465 V468 A470 I478	P465-R481 HydrophobicContact CB-CB 4.12Å; V468-R481 HydrophobicContact CB-CG 4.26Å; V468-R481 HydrophobicContact CG1-CG 4.32Å; A470-R481 PolarHBondContact O-NH2 3.38Å; I478-R481 HydrophobicContact CG2-CG 4Å; I478-R481 VanDerWaalsContact CG2-CZ 3.45Å; I478-R481 VanDerWaalsContact CG2-NE 3.3Å
482	L	98.1	Very high	97.5	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.188	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.6	-167.9	-56	175.2	0	0	0	110.6	A480 P486 I492 L495 K496 M498	A480-L482 HydrophobicContact CB-CD2 4.24Å; A480-L482 HydrophobicContact CB-CG 4.16Å; L482-P486 HydrophobicContact CD1-CG 3.86Å; L482-I492 HydrophobicContact CB-CD1 4.16Å; L482-L495 CarbonylContact O-C 3.6Å; L482-L495 WeakPolarHBondContact O-CA 3.36Å; L482-K496 HydrophobicContact CB-CB 4.26Å; L482-K496 HydrophobicContact CD1-CD 4.38Å; L482-K496 PolarHBondContact N-O 3.4Å; L482-K496 PolarHBondContact O-N 3.1Å; L482-M498 HydrophobicContact CD1-SD 3.94Å
483	T	97.7	Very high	97.3	Very high	26 Å²	26	41.4 Å²	41.4	16%	0.16	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-4.2	169.2	61.2	0	0	0	0	112	L463 P465 I492 L495	L463-T483 HydrophobicContact CB-CG2 4.23Å; L463-T483 WeakPolarHBondContact O-CG2 3.47Å; P465-T483 HydrophobicContact CG-CG2 4.28Å; T483-I492 PolarHBondContact O-N 3.17Å; T483-L495 HydrophobicContact CG2-CD1 4.25Å
484	A	97.8	Very high	97.2	Very high	39 Å²	39	41.5 Å²	41.5	32%	0.322	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149	169.3	0	0	0	0	0	109.7	A490	A484-A490 CarbonylContact C-O 3.49Å; A484-A490 VanDerWaalsContact CA-O 3.3Å; A484-A490 WeakPolarHBondContact CA-O 3.47Å
485	A	97.8	Very high	97.2	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.017	29%	0.285	C	S	.	.			trans	-76.3	133.9	-177.1	0	0	0	0	0	111.1	P370 G487 G489 A490 I492	P370-A485 HydrophobicContact CG-CB 3.9Å; A485-G487 VanDerWaalsContact C-N 3.31Å; A485-G487 PolarHBondContact O-N 3.32Å; A485-G489 VanDerWaalsContact O-CA 3.32Å; A485-G489 WeakPolarHBondContact O-CA 3.43Å; A485-G489 PolarHBondContact O-N 2.85Å; A485-A490 PolarHBondContact N-O 3.05Å; A485-I492 HydrophobicContact CB-CG1 4.36Å
486	P	97.1	Very high	97.2	Very high	85 Å²	85	37.8 Å²	37.8	55%	0.552	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.5	-174.2	-25.2	34.2	0	0	0	115.2	L482	L482-P486 HydrophobicContact CD1-CG 3.86Å
487	G	96.9	Very high	97.2	Very high	36 Å²	36	36.1 Å²	36.1	37%	0.371	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-31.9	-172	0	0	0	0	0	114.6	E368 A485	E368-G487 WeakPolarHBondContact O-CA 3.34Å; E368-G487 PolarHBondContact O-N 2.97Å; A485-G487 VanDerWaalsContact C-N 3.31Å; A485-G487 PolarHBondContact O-N 3.32Å
488	N	97	Very high	97.2	Very high	67 Å²	67	33.7 Å²	33.7	36%	0.358	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-1.6	-176	71	-3.9	0	0	0	114.7	V369 A490	V369-N488 HydrophobicContact CG1-CB 4.43Å; N488-A490 PolarHBondContact O-N 2.92Å; N488-A490 WeakPolarHBondContact OD1-CB 3.17Å; N488-A490 PolarHBondContact OD1-N 3.34Å
489	G	96.8	Very high	97.2	Very high	56 Å²	56	33.5 Å²	33.5	58%	0.577	23%	0.225	S	C	*	.			trans	71.1	2.9	179.8	0	0	0	0	0	115.1	A485	A485-G489 VanDerWaalsContact O-CA 3.32Å; A485-G489 WeakPolarHBondContact O-CA 3.43Å; A485-G489 PolarHBondContact O-N 2.85Å
490	A	96	Very high	97.1	Very high	18 Å²	18	35.9 Å²	35.9	15%	0.149	24%	0.235	C	C	.	.			trans	-69.8	144.7	179.3	0	0	0	0	0	111.1	P370 W375 A484 A485 N488 I492	P370-A490 HydrophobicContact CG-CB 3.69Å; W375-A490 HydrophobicContact CE3-CB 4.45Å; W375-A490 HydrophobicContact CH2-CB 3.53Å; W375-A490 HydrophobicContact CZ2-CB 3.93Å; W375-A490 HydrophobicContact CZ3-CB 3.83Å; A484-A490 CarbonylContact C-O 3.49Å; A484-A490 VanDerWaalsContact CA-O 3.3Å; A484-A490 WeakPolarHBondContact CA-O 3.47Å; A485-A490 PolarHBondContact N-O 3.05Å; N488-A490 PolarHBondContact O-N 2.92Å; N488-A490 WeakPolarHBondContact OD1-CB 3.17Å; N488-A490 PolarHBondContact OD1-N 3.34Å; A490-I492 PolarHBondContact O-N 3.36Å
491	S	96.3	Very high	97.1	Very high	78 Å²	78	36.9 Å²	36.9	55%	0.545	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	137.5	176.6	-178.1	0	0	0	0	111.2	P370 G493	P370-S491 WeakPolarHBondContact CG-O 3.22Å; S491-G493 PolarHBondContact OG-N 2.86Å
492	I	94.8	Very high	97.1	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-21.3	175	-64.5	169.4	0	0	0	110.9	L349 L482 T483 A485 A490 G494 R507	L349-I492 HydrophobicContact CD1-CD1 3.88Å; L349-I492 HydrophobicContact CD1-CG1 4.29Å; L349-I492 HydrophobicContact CD1-CG2 3.84Å; L349-I492 HydrophobicContact CD2-CB 4.45Å; L349-I492 HydrophobicContact CD2-CD1 4.32Å; L349-I492 HydrophobicContact CD2-CG1 3.92Å; L349-I492 HydrophobicContact CD2-CG2 3.92Å; L482-I492 HydrophobicContact CB-CD1 4.16Å; T483-I492 PolarHBondContact O-N 3.17Å; A485-I492 HydrophobicContact CB-CG1 4.36Å; A490-I492 PolarHBondContact O-N 3.36Å; I492-G494 VanDerWaalsContact C-N 3.3Å; I492-R507 HydrophobicContact CG2-CG 4.19Å; I492-R507 PolarHBondContact O-NE 3.39Å; I492-R507 VanDerWaalsContact O-NE 3.11Å
493	G	94	Very high	97.1	Very high	19 Å²	19	31.5 Å²	31.5	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60	43.6	-165.8	0	0	0	0	0	111	S491 P508	S491-G493 PolarHBondContact OG-N 2.86Å; G493-P508 WeakPolarHBondContact O-CD 3.45Å
494	G	95.5	Very high	97.1	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-158.1	-172	0	0	0	0	0	112	L460 I492 A506	L460-G494 WeakPolarHBondContact O-CA 3.46Å; I492-G494 VanDerWaalsContact C-N 3.3Å; G494-A506 VanDerWaalsContact CA-O 3.29Å; G494-A506 WeakPolarHBondContact CA-O 3.5Å
495	L	97.3	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.4	-177.4	174	66.9	0	0	0	110.2	L463 V468 L482 T483 V497 F504 A505 A506 I538	L463-L495 HydrophobicContact CD1-CB 4.1Å; L463-L495 HydrophobicContact CD1-CD2 4.46Å; V468-L495 HydrophobicContact CG2-CD1 3.84Å; V468-L495 HydrophobicContact CG2-CD2 3.57Å; V468-L495 HydrophobicContact CG2-CG 4.37Å; L482-L495 CarbonylContact O-C 3.6Å; L482-L495 WeakPolarHBondContact O-CA 3.36Å; T483-L495 HydrophobicContact CG2-CD1 4.25Å; L495-V497 HydrophobicContact CD1-CG2 4.08Å; L495-V497 HydrophobicContact CD2-CG2 3.94Å; L495-V497 HydrophobicContact CG-CG2 3.93Å; L495-F504 HydrophobicContact CD2-CE2 4.45Å; L495-F504 HydrophobicContact CD2-CZ 4.41Å; L495-A505 CarbonylContact O-C 3.53Å; L495-A505 WeakPolarHBondContact O-CA 3.42Å; L495-A506 PolarHBondContact N-O 2.87Å; L495-A506 PolarHBondContact O-N 3.44Å; L495-I538 HydrophobicContact CD2-CG2 4.37Å
496	K	98.4	Very high	97.1	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.3	162.6	176.1	174.3	176.1	-179.3	0	109.8	L349 E368 L482 M498 F504 A505	L349-K496 HydrophobicContact CB-CD 4.13Å; L349-K496 HydrophobicContact CD1-CB 3.88Å; L349-K496 HydrophobicContact CD1-CD 3.63Å; L349-K496 HydrophobicContact CD1-CG 4.31Å; L349-K496 HydrophobicContact CG-CD 4.46Å; L349-K496 WeakPolarHBondContact O-CE 3.38Å; L349-K496 PolarHBondContact O-NZ 2.84Å; E368-K496 IonicContact OE1-NZ 3.26Å; E368-K496 PolarHBondContact OE1-NZ 3.42Å; E368-K496 IonicContact OE2-NZ 2.88Å; E368-K496 PolarHBondContact OE2-NZ 3.42Å; L482-K496 HydrophobicContact CB-CB 4.26Å; L482-K496 HydrophobicContact CD1-CD 4.38Å; L482-K496 PolarHBondContact N-O 3.4Å; L482-K496 PolarHBondContact O-N 3.1Å; K496-M498 HydrophobicContact CD-CG 4.46Å; K496-M498 HydrophobicContact CD-SD 4.36Å; K496-M498 VanDerWaalsContact CE-SD 3.59Å; K496-M498 HydrophobicContact CG-CG 4.1Å; K496-F504 CarbonylContact C-O 3.47Å; K496-F504 WeakPolarHBondContact CA-O 3.34Å; K496-A505 HydrophobicContact CB-CB 4.01Å; K496-A505 HydrophobicContact CG-CB 4.24Å
497	V	98.5	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.4	177.3	-177.9	0	0	0	0	108.5	V468 L473 I478 A480 L495 W503 F504	V468-V497 HydrophobicContact CG1-CG2 4.48Å; L473-V497 HydrophobicContact CD2-CG1 4.21Å; I478-V497 HydrophobicContact CB-CG1 4.38Å; I478-V497 HydrophobicContact CD1-CG1 3.66Å; I478-V497 HydrophobicContact CG1-CG1 3.73Å; I478-V497 HydrophobicContact CG2-CG1 3.71Å; A480-V497 WeakPolarHBondContact O-CA 3.28Å; L495-V497 HydrophobicContact CD1-CG2 4.08Å; L495-V497 HydrophobicContact CD2-CG2 3.94Å; L495-V497 HydrophobicContact CG-CG2 3.93Å; V497-W503 WeakPolarHBondContact O-CA 3.33Å; V497-W503 VanDerWaalsContact O-CB 3.31Å; V497-W503 WeakPolarHBondContact O-CB 3.23Å; V497-F504 HydrophobicContact CB-CD1 3.97Å; V497-F504 HydrophobicContact CB-CE1 3.5Å; V497-F504 VanDerWaalsContact CB-CE1 3.5Å; V497-F504 HydrophobicContact CB-CZ 3.91Å; V497-F504 HydrophobicContact CG1-CE1 4.12Å; V497-F504 HydrophobicContact CG2-CE1 3.69Å; V497-F504 HydrophobicContact CG2-CE2 4.34Å; V497-F504 HydrophobicContact CG2-CZ 3.57Å; V497-F504 PolarHBondContact N-O 2.88Å; V497-F504 PolarHBondContact O-N 3.13Å
498	M	98.6	Very high	96.7	Very high	40 Å²	40	26.3 Å²	26.3	20%	0.197	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.4	-172.4	-57.4	176.7	65.6	0	0	112.2	I478 T479 A480 L482 K496 W503	I478-M498 CarbonylContact C-O 3.12Å; I478-M498 WeakPolarHBondContact CA-O 3.29Å; T479-M498 PolarHBondContact N-O 2.88Å; T479-M498 PolarHBondContact OG1-O 3.48Å; A480-M498 HydrophobicContact CB-CB 4.23Å; A480-M498 HydrophobicContact CB-CG 4.47Å; A480-M498 HydrophobicContact CB-SD 4.29Å; A480-M498 PolarHBondContact N-O 3.19Å; A480-M498 PolarHBondContact O-N 2.84Å; L482-M498 HydrophobicContact CD1-SD 3.94Å; K496-M498 HydrophobicContact CD-CG 4.46Å; K496-M498 HydrophobicContact CD-SD 4.36Å; K496-M498 VanDerWaalsContact CE-SD 3.59Å; K496-M498 HydrophobicContact CG-CG 4.1Å; M498-W503 HydrophobicContact CB-CB 4.35Å; M498-W503 HydrophobicContact CG-CB 3.92Å
499	T	98.6	Very high	96.1	Very high	9 Å²	9	23.2 Å²	23.2	6%	0.055	15%	0.149	C	C	.	.			trans	-127.5	179.9	162.6	75	0	0	0	0	108.4	L473 D476 P477 N501 G502	L473-T499 HydrophobicContact CB-CG2 3.71Å; L473-T499 HydrophobicContact CD2-CG2 4.21Å; L473-T499 HydrophobicContact CG-CG2 4.34Å; D476-T499 HydrophobicContact CB-CG2 3.83Å; P477-T499 WeakPolarHBondContact O-CG2 3.2Å; T499-N501 PolarHBondContact O-N 2.97Å; T499-N501 PolarHBondContact OG1-N 2.93Å; T499-G502 PolarHBondContact N-O 2.88Å; T499-G502 PolarHBondContact OG1-N 3.26Å; T499-G502 PolarHBondContact OG1-O 3.35Å
500	D	96.1	Very high	95.2	Very high	126 Å²	126	24.4 Å²	24.4	67%	0.674	16%	0.16	S	C	*	.	S	Bend	trans	-67.6	-24.9	174.7	-66.2	-32.6	0	0	0	113
501	N	97.3	Very high	94	Very high	47 Å²	47	29.4 Å²	29.4	25%	0.251	19%	0.19	S	C	.	.	S	Bend	trans	-106.3	-10.3	-172.9	-66.8	-43.1	0	0	0	114.4	D476 T499 S521 F522 L523	D476-N501 VanDerWaalsContact CG-ND2 3.29Å; D476-N501 PolarHBondContact OD1-ND2 2.99Å; D476-N501 VanDerWaalsContact OD2-CB 3.29Å; D476-N501 WeakPolarHBondContact OD2-CB 3.43Å; D476-N501 PolarHBondContact OD2-ND2 3.08Å; T499-N501 PolarHBondContact O-N 2.97Å; T499-N501 PolarHBondContact OG1-N 2.93Å; N501-S521 WeakPolarHBondContact O-CA 3.26Å; N501-S521 PolarHBondContact O-OG 3.46Å; N501-F522 PolarHBondContact O-N 3.5Å; N501-L523 HydrophobicContact CB-CD1 3.82Å; N501-L523 HydrophobicContact CB-CG 3.95Å
502	G	98.1	Very high	93	Very high	4 Å²	4	30 Å²	30	4%	0.041	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	175.9	-177.6	0	0	0	0	0	114.1	T499 E520	T499-G502 PolarHBondContact N-O 2.88Å; T499-G502 PolarHBondContact OG1-N 3.26Å; T499-G502 PolarHBondContact OG1-O 3.35Å; G502-E520 CarbonylContact C-O 3.44Å; G502-E520 WeakPolarHBondContact CA-O 3.36Å
503	W	98.7	Very high	92.5	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.011	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	160.6	-179.4	60.5	-87.4	0	0	0	110.8	V350 Y445 V497 M498 A505 C519 E520	V350-W503 HydrophobicContact CB-CH2 4.21Å; V350-W503 VanDerWaalsContact O-CH2 3.29Å; V350-W503 WeakPolarHBondContact O-CH2 3.28Å; Y445-W503 HydrophobicContact CD2-CZ2 4.37Å; Y445-W503 AromaticContact CE2-CH2 3.86Å; Y445-W503 HydrophobicContact CE2-CH2 3.86Å; Y445-W503 AromaticContact CE2-CZ2 3.83Å; Y445-W503 HydrophobicContact CE2-CZ2 3.83Å; V497-W503 WeakPolarHBondContact O-CA 3.33Å; V497-W503 VanDerWaalsContact O-CB 3.31Å; V497-W503 WeakPolarHBondContact O-CB 3.23Å; M498-W503 HydrophobicContact CB-CB 4.35Å; M498-W503 HydrophobicContact CG-CB 3.92Å; W503-A505 HydrophobicContact CE3-CB 4.22Å; W503-A505 HydrophobicContact CZ3-CB 3.85Å; W503-C519 VanDerWaalsContact O-CA 3.3Å; W503-C519 WeakPolarHBondContact O-CA 3.49Å; W503-E520 HydrophobicContact CZ2-CB 3.96Å; W503-E520 PolarHBondContact N-O 3.02Å; W503-E520 PolarHBondContact NE1-OE2 3.3Å; W503-E520 PolarHBondContact O-N 3.12Å
504	F	98.4	Very high	92.3	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.2	160.5	80.3	-92.3	0	0	0	111	L473 L495 K496 V497 A506 I517 Y518 C519 I531 A535 I538 V539	L473-F504 HydrophobicContact CD1-CD1 3.94Å; L473-F504 HydrophobicContact CD1-CE1 4.02Å; L473-F504 HydrophobicContact CD2-CD1 3.76Å; L473-F504 HydrophobicContact CD2-CE1 4.22Å; L495-F504 HydrophobicContact CD2-CE2 4.45Å; L495-F504 HydrophobicContact CD2-CZ 4.41Å; K496-F504 CarbonylContact C-O 3.47Å; K496-F504 WeakPolarHBondContact CA-O 3.34Å; V497-F504 HydrophobicContact CB-CD1 3.97Å; V497-F504 HydrophobicContact CB-CE1 3.5Å; V497-F504 VanDerWaalsContact CB-CE1 3.5Å; V497-F504 HydrophobicContact CB-CZ 3.91Å; V497-F504 HydrophobicContact CG1-CE1 4.12Å; V497-F504 HydrophobicContact CG2-CE1 3.69Å; V497-F504 HydrophobicContact CG2-CE2 4.34Å; V497-F504 HydrophobicContact CG2-CZ 3.57Å; V497-F504 PolarHBondContact N-O 2.88Å; V497-F504 PolarHBondContact O-N 3.13Å; F504-A506 HydrophobicContact CE2-CB 4.45Å; F504-I517 HydrophobicContact CB-CG2 4.27Å; F504-I517 HydrophobicContact CD2-CG2 4.44Å; F504-Y518 CarbonylContact C-O 3.54Å; F504-Y518 WeakPolarHBondContact CA-O 3.26Å; F504-Y518 WeakPolarHBondContact CB-O 3.36Å; F504-C519 HydrophobicContact CB-CB 4Å; F504-I531 HydrophobicContact CB-CG2 3.93Å; F504-I531 HydrophobicContact CD1-CG2 4.48Å; F504-A535 HydrophobicContact CB-CB 3.89Å; F504-A535 HydrophobicContact CD1-CB 3.68Å; F504-A535 HydrophobicContact CD2-CB 3.54Å; F504-A535 HydrophobicContact CE1-CB 4.04Å; F504-A535 HydrophobicContact CE2-CB 3.92Å; F504-A535 HydrophobicContact CG-CB 3.42Å; F504-A535 VanDerWaalsContact CG-CB 3.42Å; F504-A535 HydrophobicContact CZ-CB 4.16Å; F504-I538 HydrophobicContact CE1-CD1 3.78Å; F504-I538 HydrophobicContact CZ-CB 4.14Å; F504-I538 HydrophobicContact CZ-CD1 4.04Å; F504-I538 HydrophobicContact CZ-CG2 3.97Å; F504-V539 HydrophobicContact CE2-CG2 4.13Å
505	A	98	Very high	92.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.8	171.2	0	0	0	0	0	110.8	L349 V350 L495 K496 W503 I517 Y518	L349-A505 HydrophobicContact CD1-CB 4.07Å; V350-A505 HydrophobicContact CG1-CB 3.82Å; L495-A505 CarbonylContact O-C 3.53Å; L495-A505 WeakPolarHBondContact O-CA 3.42Å; K496-A505 HydrophobicContact CB-CB 4.01Å; K496-A505 HydrophobicContact CG-CB 4.24Å; W503-A505 HydrophobicContact CE3-CB 4.22Å; W503-A505 HydrophobicContact CZ3-CB 3.85Å; A505-I517 CarbonylContact O-C 3.5Å; A505-I517 VanDerWaalsContact O-CA 3.3Å; A505-I517 WeakPolarHBondContact O-CA 3.47Å; A505-Y518 PolarHBondContact N-O 3.46Å; A505-Y518 PolarHBondContact O-N 2.8Å
506	A	96.4	Very high	91.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.8	179.7	0	0	0	0	0	110.6	L460 G494 L495 F504 K516 I517 V539	L460-A506 HydrophobicContact CD1-CB 4.26Å; G494-A506 VanDerWaalsContact CA-O 3.29Å; G494-A506 WeakPolarHBondContact CA-O 3.5Å; L495-A506 PolarHBondContact N-O 2.87Å; L495-A506 PolarHBondContact O-N 3.44Å; F504-A506 HydrophobicContact CE2-CB 4.45Å; A506-K516 WeakPolarHBondContact CA-O 3.39Å; A506-I517 HydrophobicContact CB-CG1 4.12Å; A506-V539 HydrophobicContact CB-CG2 3.49Å; A506-V539 VanDerWaalsContact CB-CG2 3.49Å
507	R	94.6	Very high	91.8	Very high	54 Å²	54	36.9 Å²	36.9	20%	0.204	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.5	179.9	-66.7	-175.4	61.3	-111.7	-6.9	111.2	I492 Y515 K516	I492-R507 HydrophobicContact CG2-CG 4.19Å; I492-R507 PolarHBondContact O-NE 3.39Å; I492-R507 VanDerWaalsContact O-NE 3.11Å; R507-Y515 CarbonylContact O-C 3.5Å; R507-Y515 VanDerWaalsContact O-CA 3.32Å; R507-Y515 WeakPolarHBondContact O-CA 3.36Å; R507-Y515 WeakPolarHBondContact O-CB 3.44Å; R507-K516 PolarHBondContact N-O 2.76Å; R507-K516 PolarHBondContact O-N 3.01Å
508	P	91.8	Very high	91.7	Very high	25 Å²	25	37.5 Å²	37.5	16%	0.162	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	145.5	174.8	30.5	-36.8	0	0	0	110.8	K457 S461 G493	K457-P508 HydrophobicContact CB-CB 3.98Å; K457-P508 HydrophobicContact CG-CB 4.09Å; S461-P508 WeakPolarHBondContact OG-CG 3.26Å; G493-P508 WeakPolarHBondContact O-CD 3.45Å
509	S	84.3	Confident	91.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	21%	0.206	C	C	.	.			trans	-72.1	133.3	169	-172.3	0	0	0	0	109.6	K457 T511 E512 A514	K457-S509 WeakPolarHBondContact CE-O 3.46Å; K457-S509 PolarHBondContact NZ-O 3.04Å; S509-T511 VanDerWaalsContact C-N 3.31Å; S509-E512 WeakPolarHBondContact CB-O 3.24Å; S509-A514 VanDerWaalsContact CB-O 3.25Å; S509-A514 WeakPolarHBondContact CB-O 3.19Å; S509-A514 PolarHBondContact N-O 3.44Å
510	G	77.9	Confident	91.6	Very high	80 Å²	80	35.2 Å²	35.2	83%	0.825	20%	0.204	S	C	*	.	S	Bend	trans	-73.8	-22.8	178.5	0	0	0	0	0	113.7
511	T	70.5	Confident	91.7	Very high	124 Å²	124	29.2 Å²	29.2	76%	0.761	17%	0.171	S	C	*	.	S	Bend	trans	-115.2	-18	-170.4	52.2	0	0	0	0	114	S509	S509-T511 VanDerWaalsContact C-N 3.31Å
512	E	75.7	Confident	91.8	Very high	90 Å²	90	28 Å²	28	42%	0.421	16%	0.164	S	C	.	.	S	Bend	trans	-134.1	156.7	-170.7	-63.3	167.2	149.2	0	0	110.9	Q449 K457 S509 A514	Q449-E512 PolarHBondContact NE2-OE2 3.18Å; K457-E512 WeakPolarHBondContact CE-O 3.46Å; K457-E512 PolarHBondContact NZ-O 3.49Å; S509-E512 WeakPolarHBondContact CB-O 3.24Å; E512-A514 HydrophobicContact CB-CB 4.33Å; E512-A514 PolarHBondContact O-N 3.11Å
513	D	83	Confident	91.7	Very high	103 Å²	103	32.5 Å²	32.5	55%	0.551	19%	0.187	S	C	*	.	S	Bend	trans	-75.4	66	172.2	-75.6	-16	0	0	0	111.5	A452 K457	A452-D513 PolarHBondContact N-O 3.26Å; A452-D513 CarbonylContact O-C 3.53Å; A452-D513 WeakPolarHBondContact O-CB 3.4Å; A452-D513 VanDerWaalsContact O-O 3.06Å; K457-D513 IonicContact NZ-OD1 2.87Å
514	A	90.1	Very high	91.6	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	164.8	-175.7	0	0	0	0	0	111.2	Q449 A450 S509 E512	Q449-A514 HydrophobicContact CG-CB 3.8Å; Q449-A514 VanDerWaalsContact NE2-CB 3.34Å; A450-A514 CarbonylContact O-C 3.6Å; A450-A514 WeakPolarHBondContact O-CA 3.15Å; A450-A514 WeakPolarHBondContact O-CB 3.33Å; S509-A514 VanDerWaalsContact CB-O 3.25Å; S509-A514 WeakPolarHBondContact CB-O 3.19Å; S509-A514 PolarHBondContact N-O 3.44Å; E512-A514 HydrophobicContact CB-CB 4.33Å; E512-A514 PolarHBondContact O-N 3.11Å
515	Y	92.6	Very high	91.5	Very high	14 Å²	14	38.2 Å²	38.2	6%	0.055	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	155	158.6	66.3	-103.5	0	0	0	110.1	Q449 A450 A452 L460 R507 I517 V539	Q449-Y515 WeakPolarHBondContact CA-O 3.44Å; A450-Y515 HydrophobicContact CB-CE1 4.08Å; A450-Y515 HydrophobicContact CB-CE2 3.85Å; A450-Y515 PolarHBondContact N-O 2.88Å; A450-Y515 PolarHBondContact O-N 2.89Å; A452-Y515 HydrophobicContact CB-CD1 3.67Å; A452-Y515 HydrophobicContact CB-CE1 4.37Å; L460-Y515 HydrophobicContact CD2-CG 4.14Å; R507-Y515 CarbonylContact O-C 3.5Å; R507-Y515 VanDerWaalsContact O-CA 3.32Å; R507-Y515 WeakPolarHBondContact O-CA 3.36Å; R507-Y515 WeakPolarHBondContact O-CB 3.44Å; Y515-I517 HydrophobicContact CD2-CD1 4.32Å; Y515-I517 HydrophobicContact CD2-CG1 3.93Å; Y515-I517 HydrophobicContact CE2-CD1 3.59Å; Y515-I517 HydrophobicContact CE2-CG1 3.72Å; Y515-V539 HydrophobicContact CD1-CG1 4.21Å; Y515-V539 HydrophobicContact CD2-CG1 4.28Å; Y515-V539 HydrophobicContact CE1-CG1 3.8Å; Y515-V539 HydrophobicContact CE2-CG1 3.86Å; Y515-V539 HydrophobicContact CG-CG1 4.47Å
516	K	93.4	Very high	91.5	Very high	48 Å²	48	46.5 Å²	46.5	21%	0.209	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.1	176.9	-62.3	176.2	-176.9	177.2	0	108.7	L448 A506 R507 Y518	L448-K516 WeakPolarHBondContact O-CA 3.3Å; A506-K516 WeakPolarHBondContact CA-O 3.39Å; R507-K516 PolarHBondContact N-O 2.76Å; R507-K516 PolarHBondContact O-N 3.01Å; K516-Y518 HydrophobicContact CB-CE2 3.92Å
517	I	95.6	Very high	91.6	Very high	2 Å²	2	48 Å²	48	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128	168.8	-67.7	172.9	0	0	0	108	R447 L448 F504 A505 A506 Y515 A535 V536 V539	R447-I517 CarbonylContact C-O 3.58Å; R447-I517 VanDerWaalsContact CA-O 3.31Å; R447-I517 WeakPolarHBondContact CA-O 3.27Å; L448-I517 HydrophobicContact CB-CB 4.3Å; L448-I517 PolarHBondContact N-O 3.46Å; L448-I517 PolarHBondContact O-N 3.19Å; F504-I517 HydrophobicContact CB-CG2 4.27Å; F504-I517 HydrophobicContact CD2-CG2 4.44Å; A505-I517 CarbonylContact O-C 3.5Å; A505-I517 VanDerWaalsContact O-CA 3.3Å; A505-I517 WeakPolarHBondContact O-CA 3.47Å; A506-I517 HydrophobicContact CB-CG1 4.12Å; Y515-I517 HydrophobicContact CD2-CD1 4.32Å; Y515-I517 HydrophobicContact CD2-CG1 3.93Å; Y515-I517 HydrophobicContact CE2-CD1 3.59Å; Y515-I517 HydrophobicContact CE2-CG1 3.72Å; I517-A535 HydrophobicContact CD1-CB 4.07Å; I517-A535 HydrophobicContact CG2-CB 4.04Å; I517-V536 HydrophobicContact CD1-CG2 3.81Å; I517-V539 HydrophobicContact CD1-CG2 4.34Å
518	Y	96.4	Very high	91.8	Very high	13 Å²	13	46.7 Å²	46.7	5%	0.051	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138	168.3	-53.7	-95.1	0	0	0	107.1	V350 Y445 R447 F504 A505 K516	V350-Y518 HydrophobicContact CB-CD1 4.18Å; V350-Y518 HydrophobicContact CB-CD2 4.17Å; V350-Y518 HydrophobicContact CB-CG 3.89Å; V350-Y518 HydrophobicContact CG1-CD2 3.64Å; V350-Y518 HydrophobicContact CG1-CE2 4.17Å; V350-Y518 HydrophobicContact CG1-CG 3.85Å; Y445-Y518 VanDerWaalsContact OH-CD1 3.24Å; Y445-Y518 WeakPolarHBondContact OH-CD1 3.48Å; R447-Y518 HydrophobicContact CB-CD1 4.3Å; R447-Y518 HydrophobicContact CG-CD1 3.79Å; R447-Y518 HydrophobicContact CG-CE1 3.79Å; R447-Y518 HydrophobicContact CG-CG 4.47Å; F504-Y518 CarbonylContact C-O 3.54Å; F504-Y518 WeakPolarHBondContact CA-O 3.26Å; F504-Y518 WeakPolarHBondContact CB-O 3.36Å; A505-Y518 PolarHBondContact N-O 3.46Å; A505-Y518 PolarHBondContact O-N 2.8Å; K516-Y518 HydrophobicContact CB-CE2 3.92Å
519	C	97.1	Very high	92.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	150.4	-179.6	60.3	0	0	0	0	111.5	Y445 N446 W503 F504 I531 E532	Y445-C519 CarbonylContact C-O 3.58Å; Y445-C519 WeakPolarHBondContact CA-O 3.37Å; N446-C519 PolarHBondContact N-O 2.96Å; N446-C519 PolarHBondContact O-N 2.92Å; N446-C519 PolarHBondContact O-SG 3.27Å; N446-C519 VanDerWaalsContact O-SG 3.37Å; W503-C519 VanDerWaalsContact O-CA 3.3Å; W503-C519 WeakPolarHBondContact O-CA 3.49Å; F504-C519 HydrophobicContact CB-CB 4Å; C519-I531 HydrophobicContact CB-CG2 3.91Å; C519-E532 WeakPolarHBondContact SG-CG 3.47Å
520	E	98.3	Very high	92.7	Very high	2 Å²	2	54 Å²	54	1%	0.009	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.1	179.8	-170.2	178.3	-125.4	0	0	110.6	S352 A353 P443 S444 Y445 G502 W503 I531	S352-E520 WeakPolarHBondContact CA-OE1 3.21Å; S352-E520 WeakPolarHBondContact CB-OE1 3.42Å; S352-E520 PolarHBondContact OG-OE1 3.25Å; A353-E520 PolarHBondContact N-OE2 3.15Å; P443-E520 HydrophobicContact CB-CG 3.76Å; S444-E520 CarbonylContact O-C 3.59Å; S444-E520 VanDerWaalsContact O-CA 3.27Å; S444-E520 WeakPolarHBondContact O-CA 3.48Å; Y445-E520 HydrophobicContact CD2-CB 3.91Å; Y445-E520 HydrophobicContact CD2-CG 4.17Å; G502-E520 CarbonylContact C-O 3.44Å; G502-E520 WeakPolarHBondContact CA-O 3.36Å; W503-E520 HydrophobicContact CZ2-CB 3.96Å; W503-E520 PolarHBondContact N-O 3.02Å; W503-E520 PolarHBondContact NE1-OE2 3.3Å; W503-E520 PolarHBondContact O-N 3.12Å; E520-I531 WeakPolarHBondContact O-CD1 3.24Å
521	S	98.2	Very high	93.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.4	169.5	-178.4	0	0	0	0	112.7	P443 S444 N501 L523 H527	P443-S521 CarbonylContact C-O 3.55Å; P443-S521 VanDerWaalsContact CA-O 3.27Å; P443-S521 WeakPolarHBondContact CA-O 3.45Å; S444-S521 PolarHBondContact N-O 3.12Å; S444-S521 PolarHBondContact O-N 3.35Å; N501-S521 WeakPolarHBondContact O-CA 3.26Å; N501-S521 PolarHBondContact O-OG 3.46Å; S521-L523 VanDerWaalsContact C-N 3.28Å; S521-L523 PolarHBondContact OG-N 3.01Å; S521-H527 PolarHBondContact OG-ND1 3.08Å
522	F	97.9	Very high	95	Very high	21 Å²	21	45.5 Å²	45.5	9%	0.092	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.1	170.8	-80.5	-94.3	0	0	0	114.5	A353 M354 R357 F440 P443 N501	A353-F522 HydrophobicContact CB-CE2 4.03Å; M354-F522 HydrophobicContact CB-CZ 4.31Å; M354-F522 HydrophobicContact CE-CE1 3.91Å; M354-F522 HydrophobicContact CE-CZ 4.49Å; R357-F522 VanDerWaalsContact CZ-CG 3.42Å; R357-F522 VanDerWaalsContact NH1-CE1 3.31Å; R357-F522 VanDerWaalsContact NH2-CG 3.3Å; F440-F522 WeakPolarHBondContact O-CD1 3.36Å; P443-F522 HydrophobicContact CB-CD1 4.08Å; P443-F522 HydrophobicContact CB-CD2 4.13Å; P443-F522 HydrophobicContact CB-CE1 3.96Å; P443-F522 HydrophobicContact CB-CE2 3.94Å; P443-F522 HydrophobicContact CB-CG 4.2Å; P443-F522 HydrophobicContact CB-CZ 3.89Å; P443-F522 HydrophobicContact CG-CD1 4.41Å; P443-F522 HydrophobicContact CG-CE1 3.92Å; P443-F522 HydrophobicContact CG-CE2 4.48Å; P443-F522 HydrophobicContact CG-CZ 3.95Å; N501-F522 PolarHBondContact O-N 3.5Å
523	L	97.6	Very high	96	Very high	99 Å²	99	46.8 Å²	46.8	52%	0.518	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4.6	177	-58.6	179.7	0	0	0	112.8	N501 S521 H527	N501-L523 HydrophobicContact CB-CD1 3.82Å; N501-L523 HydrophobicContact CB-CG 3.95Å; S521-L523 VanDerWaalsContact C-N 3.28Å; S521-L523 PolarHBondContact OG-N 3.01Å; L523-H527 HydrophobicContact CB-CB 3.75Å
524	G	95.6	Very high	96.7	Very high	21 Å²	21	43.3 Å²	43.3	22%	0.216	21%	0.205	C	C	.	.			trans	96.9	-172.2	175.1	0	0	0	0	0	114.6	R528	G524-R528 WeakPolarHBondContact O-CB 3.45Å; G524-R528 PolarHBondContact O-N 3.36Å
525	E	96.4	Very high	97.1	Very high	101 Å²	101	43.2 Å²	43.2	47%	0.472	20%	0.204	S	C	.	.	H	α-helix	trans	-66.9	-40.8	-167.7	-170.4	-175	161	0	0	113.8	R528 K529	E525-R528 PolarHBondContact O-N 3.25Å; E525-K529 HydrophobicContact CG-CD 4.48Å; E525-K529 WeakPolarHBondContact O-CG 3.26Å; E525-K529 PolarHBondContact O-N 3.37Å; E525-K529 WeakPolarHBondContact OE1-CE 3.11Å; E525-K529 IonicContact OE1-NZ 2.7Å; E525-K529 PolarHBondContact OE1-NZ 3.01Å
526	E	97.8	Very high	97.2	Very high	175 Å²	175	45 Å²	45	82%	0.818	22%	0.216	S	C	*	.	H	α-helix	trans	-62.9	-46	-179.8	-69.7	-171.7	156.3	0	0	111.4	K529 Q530	E526-K529 PolarHBondContact O-N 3.42Å; E526-Q530 PolarHBondContact O-N 3.37Å; E526-Q530 VanDerWaalsContact O-N 3.09Å
527	H	98.5	Very high	97.3	Very high	30 Å²	30	47.7 Å²	47.7	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-40.1	175.6	-172.4	-88.1	0	0	0	111.7	A474 D476 S521 L523 K529 Q530 I531	A474-H527 WeakPolarHBondContact CB-NE2 3.44Å; A474-H527 PolarHBondContact O-NE2 3.3Å; A474-H527 VanDerWaalsContact O-NE2 3.15Å; D476-H527 IonicContact OD2-CE1 3.6Å; D476-H527 IonicContact OD2-NE2 2.65Å; S521-H527 PolarHBondContact OG-ND1 3.08Å; L523-H527 HydrophobicContact CB-CB 3.75Å; H527-K529 VanDerWaalsContact C-N 3.34Å; H527-K529 PolarHBondContact O-N 2.96Å; H527-Q530 WeakPolarHBondContact O-CB 3.39Å; H527-Q530 PolarHBondContact O-N 3.5Å; H527-Q530 VanDerWaalsContact O-N 3.11Å; H527-I531 PolarHBondContact O-N 3.33Å
528	R	98.4	Very high	97.3	Very high	27 Å²	27	48.2 Å²	48.2	10%	0.102	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-43.2	173	-170.3	-157.4	72.3	-148.4	0.5	111.9	S444 G524 E525 Q530 I531 E532	S444-R528 WeakPolarHBondContact O-CD 3.34Å; S444-R528 WeakPolarHBondContact O-CG 3.45Å; S444-R528 PolarHBondContact OG-NH1 2.89Å; G524-R528 WeakPolarHBondContact O-CB 3.45Å; G524-R528 PolarHBondContact O-N 3.36Å; E525-R528 PolarHBondContact O-N 3.25Å; R528-Q530 PolarHBondContact O-N 3.01Å; R528-I531 CarbonylContact O-C 3.52Å; R528-I531 WeakPolarHBondContact O-CB 3.34Å; R528-I531 PolarHBondContact O-N 3.02Å; R528-I531 VanDerWaalsContact O-N 3.13Å; R528-E532 IonicContact CZ-OE1 2.87Å; R528-E532 IonicContact NE-OE1 3.48Å; R528-E532 PolarHBondContact NE-OE1 3.33Å; R528-E532 IonicContact NH2-OE1 3.9Å; R528-E532 PolarHBondContact NH2-OE1 3.44Å; R528-E532 WeakPolarHBondContact O-CG 3.4Å; R528-E532 PolarHBondContact O-N 2.92Å
529	K	97.8	Very high	97.2	Very high	105 Å²	105	47.6 Å²	47.6	46%	0.457	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-32	175.5	-76.9	177.2	-179.5	163.5	0	112.4	E525 E526 H527 E532 K533	E525-K529 HydrophobicContact CG-CD 4.48Å; E525-K529 WeakPolarHBondContact O-CG 3.26Å; E525-K529 PolarHBondContact O-N 3.37Å; E525-K529 WeakPolarHBondContact OE1-CE 3.11Å; E525-K529 IonicContact OE1-NZ 2.7Å; E525-K529 PolarHBondContact OE1-NZ 3.01Å; E526-K529 PolarHBondContact O-N 3.42Å; H527-K529 VanDerWaalsContact C-N 3.34Å; H527-K529 PolarHBondContact O-N 2.96Å; K529-E532 WeakPolarHBondContact O-CB 3.45Å; K529-E532 PolarHBondContact O-N 2.94Å; K529-K533 PolarHBondContact O-N 2.8Å; K529-K533 VanDerWaalsContact O-N 3.09Å
530	Q	98.5	Very high	97	Very high	76 Å²	76	50.6 Å²	50.6	36%	0.355	25%	0.251	S	S	.	.	H	α-helix	trans	-69	-42.7	172	-173.1	59.7	29.7	0	0	111.6	A474 E526 H527 R528 E532 K533 E534	A474-Q530 HydrophobicContact CB-CB 4.13Å; A474-Q530 HydrophobicContact CB-CG 3.83Å; E526-Q530 PolarHBondContact O-N 3.37Å; E526-Q530 VanDerWaalsContact O-N 3.09Å; H527-Q530 WeakPolarHBondContact O-CB 3.39Å; H527-Q530 PolarHBondContact O-N 3.5Å; H527-Q530 VanDerWaalsContact O-N 3.11Å; R528-Q530 PolarHBondContact O-N 3.01Å; Q530-E532 VanDerWaalsContact C-N 3.32Å; Q530-E532 PolarHBondContact O-N 2.95Å; Q530-K533 PolarHBondContact O-N 2.72Å; Q530-E534 PolarHBondContact NE2-OE1 2.96Å; Q530-E534 PolarHBondContact O-N 3.06Å
531	I	98.6	Very high	96.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.7	-45.5	170.9	-66.3	178.1	0	0	0	110.8	L473 A474 F504 C519 E520 H527 R528 K533 E534 A535	L473-I531 HydrophobicContact CD1-CG2 4.37Å; L473-I531 HydrophobicContact CD2-CG2 4.31Å; L473-I531 HydrophobicContact CG-CG1 4.35Å; A474-I531 HydrophobicContact CB-CG1 3.56Å; F504-I531 HydrophobicContact CB-CG2 3.93Å; F504-I531 HydrophobicContact CD1-CG2 4.48Å; C519-I531 HydrophobicContact CB-CG2 3.91Å; E520-I531 WeakPolarHBondContact O-CD1 3.24Å; H527-I531 PolarHBondContact O-N 3.33Å; R528-I531 CarbonylContact O-C 3.52Å; R528-I531 WeakPolarHBondContact O-CB 3.34Å; R528-I531 PolarHBondContact O-N 3.02Å; R528-I531 VanDerWaalsContact O-N 3.13Å; I531-K533 VanDerWaalsContact C-N 3.32Å; I531-K533 PolarHBondContact O-N 3.32Å; I531-E534 PolarHBondContact O-N 2.91Å; I531-A535 WeakPolarHBondContact O-CB 3.32Å; I531-A535 PolarHBondContact O-N 3.47Å
532	E	97.8	Very high	96.6	Very high	25 Å²	25	57 Å²	57	12%	0.117	28%	0.282	C	S	.	.	H	α-helix	trans	-55.4	-47.1	177.6	-76	174	-153.8	0	0	111.7	N446 L448 C519 R528 K529 Q530 V536	N446-E532 WeakPolarHBondContact CB-OE1 3.29Å; N446-E532 PolarHBondContact ND2-OE1 3.43Å; L448-E532 HydrophobicContact CD1-CB 3.7Å; L448-E532 HydrophobicContact CD1-CG 3.64Å; L448-E532 HydrophobicContact CG-CG 4.3Å; C519-E532 WeakPolarHBondContact SG-CG 3.47Å; R528-E532 IonicContact CZ-OE1 2.87Å; R528-E532 IonicContact NE-OE1 3.48Å; R528-E532 PolarHBondContact NE-OE1 3.33Å; R528-E532 IonicContact NH2-OE1 3.9Å; R528-E532 PolarHBondContact NH2-OE1 3.44Å; R528-E532 WeakPolarHBondContact O-CG 3.4Å; R528-E532 PolarHBondContact O-N 2.92Å; K529-E532 WeakPolarHBondContact O-CB 3.45Å; K529-E532 PolarHBondContact O-N 2.94Å; Q530-E532 VanDerWaalsContact C-N 3.32Å; Q530-E532 PolarHBondContact O-N 2.95Å; E532-V536 WeakPolarHBondContact O-CG2 3.3Å; E532-V536 PolarHBondContact O-N 2.96Å
533	K	97.1	Very high	96.3	Very high	117 Å²	117	56.2 Å²	56.2	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-53.2	178.6	-179.5	-177.1	170.9	-171.5	0	111.5	K529 Q530 I531 A535 V536 E537	K529-K533 PolarHBondContact O-N 2.8Å; K529-K533 VanDerWaalsContact O-N 3.09Å; Q530-K533 PolarHBondContact O-N 2.72Å; I531-K533 VanDerWaalsContact C-N 3.32Å; I531-K533 PolarHBondContact O-N 3.32Å; K533-A535 VanDerWaalsContact C-N 3.3Å; K533-A535 PolarHBondContact O-N 2.97Å; K533-V536 PolarHBondContact O-N 3.46Å; K533-E537 WeakPolarHBondContact CE-OE1 3.37Å; K533-E537 WeakPolarHBondContact O-CG 3.4Å; K533-E537 PolarHBondContact O-N 3.06Å; K533-E537 VanDerWaalsContact O-N 3.13Å
534	E	98	Very high	95.8	Very high	31 Å²	31	59.5 Å²	59.5	15%	0.145	29%	0.289	C	S	.	.	H	α-helix	trans	-66.6	-32	-178.7	-71.9	-178.9	-143	0	0	112.4	L473 A474 Q530 I531 V536 E537 I538	L473-E534 WeakPolarHBondContact CA-OE2 3.35Å; L473-E534 HydrophobicContact CD1-CB 3.82Å; A474-E534 VanDerWaalsContact CA-OE1 3.28Å; A474-E534 WeakPolarHBondContact CA-OE1 3.25Å; A474-E534 VanDerWaalsContact N-CD 3.26Å; A474-E534 PolarHBondContact N-OE1 2.75Å; A474-E534 PolarHBondContact N-OE2 2.95Å; Q530-E534 PolarHBondContact NE2-OE1 2.96Å; Q530-E534 PolarHBondContact O-N 3.06Å; I531-E534 PolarHBondContact O-N 2.91Å; E534-V536 PolarHBondContact O-N 2.85Å; E534-E537 PolarHBondContact O-N 3.41Å; E534-I538 WeakPolarHBondContact O-CB 3.39Å; E534-I538 VanDerWaalsContact O-CG1 3.26Å; E534-I538 WeakPolarHBondContact O-CG1 3.29Å; E534-I538 PolarHBondContact O-N 3.27Å
535	A	97.2	Very high	95.3	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-43.9	173.9	0	0	0	0	0	111.7	F504 I517 I531 K533 E537 V539	F504-A535 HydrophobicContact CB-CB 3.89Å; F504-A535 HydrophobicContact CD1-CB 3.68Å; F504-A535 HydrophobicContact CD2-CB 3.54Å; F504-A535 HydrophobicContact CE1-CB 4.04Å; F504-A535 HydrophobicContact CE2-CB 3.92Å; F504-A535 HydrophobicContact CG-CB 3.42Å; F504-A535 VanDerWaalsContact CG-CB 3.42Å; F504-A535 HydrophobicContact CZ-CB 4.16Å; I517-A535 HydrophobicContact CD1-CB 4.07Å; I517-A535 HydrophobicContact CG2-CB 4.04Å; I531-A535 WeakPolarHBondContact O-CB 3.32Å; I531-A535 PolarHBondContact O-N 3.47Å; K533-A535 VanDerWaalsContact C-N 3.3Å; K533-A535 PolarHBondContact O-N 2.97Å; A535-E537 VanDerWaalsContact C-N 3.35Å; A535-V539 WeakPolarHBondContact O-CB 3.4Å; A535-V539 WeakPolarHBondContact O-CG2 3.49Å; A535-V539 PolarHBondContact O-N 3.36Å
536	V	94.9	Very high	94.5	Very high	53 Å²	53	65.1 Å²	65.1	32%	0.321	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-40.3	175.7	173.8	0	0	0	0	110.9	I517 E532 K533 E534 S540	I517-V536 HydrophobicContact CD1-CG2 3.81Å; E532-V536 WeakPolarHBondContact O-CG2 3.3Å; E532-V536 PolarHBondContact O-N 2.96Å; K533-V536 PolarHBondContact O-N 3.46Å; E534-V536 PolarHBondContact O-N 2.85Å; V536-S540 WeakPolarHBondContact O-CB 3.25Å; V536-S540 PolarHBondContact O-N 3.44Å; V536-S540 PolarHBondContact O-OG 3.47Å
537	E	95.3	Very high	94.4	Very high	104 Å²	104	59.7 Å²	59.7	49%	0.486	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-50.8	176.4	-69.4	172.8	-174.4	0	0	111.2	K533 E534 A535 V539 S540 E541	K533-E537 WeakPolarHBondContact CE-OE1 3.37Å; K533-E537 WeakPolarHBondContact O-CG 3.4Å; K533-E537 PolarHBondContact O-N 3.06Å; K533-E537 VanDerWaalsContact O-N 3.13Å; E534-E537 PolarHBondContact O-N 3.41Å; A535-E537 VanDerWaalsContact C-N 3.35Å; E537-V539 PolarHBondContact O-N 2.95Å; E537-S540 PolarHBondContact O-N 3.4Å; E537-E541 PolarHBondContact O-N 3.06Å
538	I	96	Very high	94.2	Very high	13 Å²	13	61.2 Å²	61.2	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-48.3	178.2	-69	163.7	0	0	0	111	V468 A470 L473 L495 F504 E534 S540 E541 V542	V468-I538 HydrophobicContact CG1-CG2 3.95Å; A470-I538 HydrophobicContact CB-CD1 4.07Å; A470-I538 HydrophobicContact CB-CG1 4.2Å; L473-I538 HydrophobicContact CD1-CD1 4.34Å; L495-I538 HydrophobicContact CD2-CG2 4.37Å; F504-I538 HydrophobicContact CE1-CD1 3.78Å; F504-I538 HydrophobicContact CZ-CB 4.14Å; F504-I538 HydrophobicContact CZ-CD1 4.04Å; F504-I538 HydrophobicContact CZ-CG2 3.97Å; E534-I538 WeakPolarHBondContact O-CB 3.39Å; E534-I538 VanDerWaalsContact O-CG1 3.26Å; E534-I538 WeakPolarHBondContact O-CG1 3.29Å; E534-I538 PolarHBondContact O-N 3.27Å; I538-S540 VanDerWaalsContact C-N 3.31Å; I538-S540 PolarHBondContact O-N 3.33Å; I538-E541 PolarHBondContact O-N 2.97Å; I538-V542 WeakPolarHBondContact O-CG2 3.48Å; I538-V542 PolarHBondContact O-N 3.38Å
539	V	94.4	Very high	93.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-40	179.1	173.4	0	0	0	0	110.8	F504 A506 Y515 I517 A535 E537 V542 L543	F504-V539 HydrophobicContact CE2-CG2 4.13Å; A506-V539 HydrophobicContact CB-CG2 3.49Å; A506-V539 VanDerWaalsContact CB-CG2 3.49Å; Y515-V539 HydrophobicContact CD1-CG1 4.21Å; Y515-V539 HydrophobicContact CD2-CG1 4.28Å; Y515-V539 HydrophobicContact CE1-CG1 3.8Å; Y515-V539 HydrophobicContact CE2-CG1 3.86Å; Y515-V539 HydrophobicContact CG-CG1 4.47Å; I517-V539 HydrophobicContact CD1-CG2 4.34Å; A535-V539 WeakPolarHBondContact O-CB 3.4Å; A535-V539 WeakPolarHBondContact O-CG2 3.49Å; A535-V539 PolarHBondContact O-N 3.36Å; E537-V539 PolarHBondContact O-N 2.95Å; V539-V542 WeakPolarHBondContact O-CG2 3.41Å; V539-L543 HydrophobicContact CG1-CD1 3.64Å; V539-L543 HydrophobicContact CG1-CG 4.35Å; V539-L543 WeakPolarHBondContact O-CB 3.47Å; V539-L543 WeakPolarHBondContact O-CG 3.37Å; V539-L543 PolarHBondContact O-N 2.72Å
540	S	92.2	Very high	93.7	Very high	63 Å²	63	60.6 Å²	60.6	44%	0.441	32%	0.317	S	S	.	.	H	α-helix	trans	-66.3	-37.7	177.5	-59.5	0	0	0	0	112.2	V536 E537 I538 K544	V536-S540 WeakPolarHBondContact O-CB 3.25Å; V536-S540 PolarHBondContact O-N 3.44Å; V536-S540 PolarHBondContact O-OG 3.47Å; E537-S540 PolarHBondContact O-N 3.4Å; I538-S540 VanDerWaalsContact C-N 3.31Å; I538-S540 PolarHBondContact O-N 3.33Å; S540-K544 WeakPolarHBondContact O-CB 3.46Å; S540-K544 PolarHBondContact O-N 3.25Å; S540-K544 VanDerWaalsContact O-N 3.11Å
541	E	94.2	Very high	93.4	Very high	113 Å²	113	59.7 Å²	59.7	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-50.7	177.7	-174.7	178.5	169.1	0	0	111.7	S469 E537 I538 L543 K544	S469-E541 PolarHBondContact OG-OE1 3.01Å; E537-E541 PolarHBondContact O-N 3.06Å; I538-E541 PolarHBondContact O-N 2.97Å; E541-L543 PolarHBondContact O-N 3.22Å; E541-K544 WeakPolarHBondContact O-CB 3.47Å; E541-K544 PolarHBondContact O-N 2.98Å
542	V	93.8	Very high	93.1	Very high	22 Å²	22	63.7 Å²	63.7	13%	0.133	34%	0.335	C	S	.	.	H	α-helix	trans	-69.3	-21.1	-177.8	-58.1	0	0	0	0	113.2	L463 V468 I538 V539	L463-V542 HydrophobicContact CD1-CG2 3.82Å; L463-V542 HydrophobicContact CD2-CB 4.19Å; L463-V542 HydrophobicContact CD2-CG2 4.17Å; V468-V542 HydrophobicContact CG2-CG1 4.24Å; I538-V542 WeakPolarHBondContact O-CG2 3.48Å; I538-V542 PolarHBondContact O-N 3.38Å; V539-V542 WeakPolarHBondContact O-CG2 3.41Å
543	L	91.8	Very high	92.7	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.026	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.2	177.9	-60.1	-178.8	0	0	0	113.9	Q456 A459 L460 V539 E541 N545 A546	Q456-L543 HydrophobicContact CB-CD1 4.29Å; Q456-L543 HydrophobicContact CG-CB 4.35Å; A459-L543 HydrophobicContact CB-CD2 3.88Å; L460-L543 HydrophobicContact CB-CD1 4.27Å; L460-L543 HydrophobicContact CB-CD2 3.93Å; V539-L543 HydrophobicContact CG1-CD1 3.64Å; V539-L543 HydrophobicContact CG1-CG 4.35Å; V539-L543 WeakPolarHBondContact O-CB 3.47Å; V539-L543 WeakPolarHBondContact O-CG 3.37Å; V539-L543 PolarHBondContact O-N 2.72Å; E541-L543 PolarHBondContact O-N 3.22Å; L543-N545 PolarHBondContact O-N 3.14Å; L543-A546 VanDerWaalsContact O-CB 3.29Å; L543-A546 WeakPolarHBondContact O-CB 3.4Å; L543-A546 PolarHBondContact O-N 2.76Å
544	K	88	Confident	92.4	Very high	169 Å²	169	62.5 Å²	62.5	74%	0.735	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.2	-174.1	-170.8	177	179.2	-179.2	0	113.8	S540 E541	S540-K544 WeakPolarHBondContact O-CB 3.46Å; S540-K544 PolarHBondContact O-N 3.25Å; S540-K544 VanDerWaalsContact O-N 3.11Å; E541-K544 WeakPolarHBondContact O-CB 3.47Å; E541-K544 PolarHBondContact O-N 2.98Å
545	N	84.3	Confident	91.9	Very high	158 Å²	158	65.2 Å²	65.2	85%	0.845	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	11.8	-177.4	-60	-31.9	0	0	0	113.2	L543	L543-N545 PolarHBondContact O-N 3.14Å
546	A	81	Confident	91.4	Very high	82 Å²	82	71.1 Å²	71.1	68%	0.678	39%	0.387	S	S	*	.			trans	-77.6	0	-176.9	0	0	0	0	0	113.9	Q456 A459 L543	Q456-A546 HydrophobicContact CG-CB 4.22Å; A459-A546 HydrophobicContact CB-CB 3.56Å; L543-A546 VanDerWaalsContact O-CB 3.29Å; L543-A546 WeakPolarHBondContact O-CB 3.4Å; L543-A546 PolarHBondContact O-N 2.76Å

Retrieved 546 of 546 residues in 182.5 ms (Link to these results)

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