A0A3Q0KTV6_SCHMA Loading...

Serine hydroxymethyltransferase

Interconversion of serine and glycine.

AlphaFold DB , UniProt , Accession A0A3Q0KTV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 467 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.8	Low	92.7	Very high	242 Å²	242	106 Å²	106	100%	1.192	60%	0.595	S	S	*	*				0	71	0	-72.8	-176.4	-99.2	0	0	108.9
2	S	86.1	Confident	93.2	Very high	124 Å²	124	103.5 Å²	103.5	87%	0.867	58%	0.578	S	S	*	*			trans	-126.6	31.7	178.1	60.3	0	0	0	0	110.7
3	I	94.4	Very high	93.5	Very high	105 Å²	105	97.2 Å²	97.2	54%	0.538	54%	0.542	S	S	.	.			trans	-82	151.2	172.7	57.1	172.1	0	0	0	108.8	E7	I3-E7 HydrophobicContact CB-CB 4.23Å
4	S	94.5	Very high	93.8	Very high	56 Å²	56	93.3 Å²	93.3	39%	0.392	53%	0.528	S	S	.	.			trans	-70.6	165.2	179	65	0	0	0	0	111.7	A6 E7 S8	S4-A6 VanDerWaalsContact C-N 3.26Å; S4-A6 PolarHBondContact O-N 3.16Å; S4-E7 PolarHBondContact N-OE2 3.46Å; S4-E7 PolarHBondContact O-N 3.02Å; S4-E7 WeakPolarHBondContact OG-CG 3.35Å; S4-E7 PolarHBondContact OG-N 3.39Å; S4-E7 PolarHBondContact OG-OE2 3.37Å; S4-S8 WeakPolarHBondContact O-CB 3.46Å; S4-S8 PolarHBondContact O-N 3.09Å
5	L	94.8	Very high	94.1	Very high	83 Å²	83	93.7 Å²	93.7	44%	0.435	53%	0.527	S	S	.	.	H	α-helix	trans	-58.2	-41.5	172.6	178.8	61.8	0	0	0	111.3	E7 S8 D9 I12 M13	L5-E7 PolarHBondContact O-N 3.16Å; L5-S8 PolarHBondContact O-N 3.45Å; L5-D9 HydrophobicContact CD1-CB 4.08Å; L5-D9 CarbonylContact O-C 3.52Å; L5-D9 VanDerWaalsContact O-C 3.26Å; L5-D9 WeakPolarHBondContact O-CA 3.49Å; L5-D9 PolarHBondContact O-N 3.37Å; L5-I12 HydrophobicContact CD1-CB 4.43Å; L5-I12 HydrophobicContact CD1-CG2 4.15Å; L5-I12 HydrophobicContact CD2-CG2 4.25Å; L5-M13 HydrophobicContact CD2-SD 4.22Å; L5-M13 HydrophobicContact CG-CB 4.48Å; L5-M13 HydrophobicContact CG-SD 4.44Å
6	A	95.7	Very high	94.3	Very high	41 Å²	41	90.7 Å²	90.7	34%	0.339	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-32.1	179.6	0	0	0	0	0	113.3	S4 M13	S4-A6 VanDerWaalsContact C-N 3.26Å; S4-A6 PolarHBondContact O-N 3.16Å; A6-M13 HydrophobicContact CB-CB 4.45Å; A6-M13 HydrophobicContact CB-CE 4.29Å; A6-M13 HydrophobicContact CB-CG 3.9Å; A6-M13 HydrophobicContact CB-SD 4.38Å
7	E	97.2	Very high	94.4	Very high	136 Å²	136	92.8 Å²	92.8	64%	0.636	51%	0.511	S	S	*	.	H	α-helix	trans	-86.1	-37.6	176.6	-68.3	165.3	149	0	0	112.3	I3 S4 L5	I3-E7 HydrophobicContact CB-CB 4.23Å; S4-E7 PolarHBondContact N-OE2 3.46Å; S4-E7 PolarHBondContact O-N 3.02Å; S4-E7 WeakPolarHBondContact OG-CG 3.35Å; S4-E7 PolarHBondContact OG-N 3.39Å; S4-E7 PolarHBondContact OG-OE2 3.37Å; L5-E7 PolarHBondContact O-N 3.16Å
8	S	97.5	Very high	94.6	Very high	79 Å²	79	94.3 Å²	94.3	55%	0.552	51%	0.514	S	S	*	.	H	α-helix	trans	-75.3	-40.1	-177.3	-169.6	0	0	0	0	112.9	S4 L5	S4-S8 WeakPolarHBondContact O-CB 3.46Å; S4-S8 PolarHBondContact O-N 3.09Å; L5-S8 PolarHBondContact O-N 3.45Å
9	D	97.6	Very high	94.8	Very high	61 Å²	61	93.4 Å²	93.4	33%	0.326	51%	0.506	S	S	.	.			trans	-150.2	77.9	-173.9	-164.5	-28.2	0	0	0	109.7	L5 E11 I12 M13	L5-D9 HydrophobicContact CD1-CB 4.08Å; L5-D9 CarbonylContact O-C 3.52Å; L5-D9 VanDerWaalsContact O-C 3.26Å; L5-D9 WeakPolarHBondContact O-CA 3.49Å; L5-D9 PolarHBondContact O-N 3.37Å; D9-E11 PolarHBondContact O-N 2.91Å; D9-E11 PolarHBondContact OD1-N 3.14Å; D9-I12 HydrophobicContact CB-CB 4.3Å; D9-I12 HydrophobicContact CB-CG1 4.43Å; D9-I12 VanDerWaalsContact CG-CG1 3.43Å; D9-I12 PolarHBondContact O-N 2.62Å; D9-I12 WeakPolarHBondContact OD1-CG1 3.22Å; D9-I12 PolarHBondContact OD1-N 3.42Å; D9-I12 VanDerWaalsContact OD2-CG1 3.23Å; D9-I12 WeakPolarHBondContact OD2-CG1 3.46Å; D9-M13 PolarHBondContact O-N 3Å; D9-M13 VanDerWaalsContact O-N 3.13Å
10	P	97.8	Very high	94.9	Very high	82 Å²	82	91 Å²	91	53%	0.532	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-24.3	-179.7	24.3	-33.7	0	0	0	113.2	M13 A14	P10-M13 PolarHBondContact O-N 2.92Å; P10-A14 PolarHBondContact O-N 3.26Å
11	E	98.7	Very high	95	Very high	157 Å²	157	92.1 Å²	92.1	73%	0.734	49%	0.493	S	S	*	.	H	α-helix	trans	-68.1	-48.3	177.3	-66.2	-177.5	-171.5	0	0	110.7	D9 M13 A14 L15	D9-E11 PolarHBondContact O-N 2.91Å; D9-E11 PolarHBondContact OD1-N 3.14Å; E11-M13 VanDerWaalsContact C-N 3.3Å; E11-M13 PolarHBondContact O-N 2.6Å; E11-A14 WeakPolarHBondContact O-CB 3.25Å; E11-A14 PolarHBondContact O-N 3.13Å; E11-L15 PolarHBondContact O-N 3.42Å; E11-L15 VanDerWaalsContact O-N 3.11Å
12	I	98	Very high	96.5	Very high	76 Å²	76	84 Å²	84	39%	0.39	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-38.9	174.8	-66.5	-63.9	0	0	0	111	L5 D9 A14 L15 C16	L5-I12 HydrophobicContact CD1-CB 4.43Å; L5-I12 HydrophobicContact CD1-CG2 4.15Å; L5-I12 HydrophobicContact CD2-CG2 4.25Å; D9-I12 HydrophobicContact CB-CB 4.3Å; D9-I12 HydrophobicContact CB-CG1 4.43Å; D9-I12 VanDerWaalsContact CG-CG1 3.43Å; D9-I12 PolarHBondContact O-N 2.62Å; D9-I12 WeakPolarHBondContact OD1-CG1 3.22Å; D9-I12 PolarHBondContact OD1-N 3.42Å; D9-I12 VanDerWaalsContact OD2-CG1 3.23Å; D9-I12 WeakPolarHBondContact OD2-CG1 3.46Å; I12-A14 VanDerWaalsContact C-N 3.31Å; I12-A14 PolarHBondContact O-N 3.39Å; I12-L15 HydrophobicContact CD1-CD1 4.47Å; I12-L15 PolarHBondContact O-N 3.37Å; I12-C16 PolarHBondContact O-N 3.04Å; I12-C16 PolarHBondContact O-SG 3.19Å
13	M	97	Very high	97.1	Very high	22 Å²	22	80.6 Å²	80.6	11%	0.108	42%	0.419	C	S	.	.	H	α-helix	trans	-61.4	-39.1	175.9	-171.7	67	171	0	0	112.4	L5 A6 D9 P10 E11 C16 R17 F467	L5-M13 HydrophobicContact CD2-SD 4.22Å; L5-M13 HydrophobicContact CG-CB 4.48Å; L5-M13 HydrophobicContact CG-SD 4.44Å; A6-M13 HydrophobicContact CB-CB 4.45Å; A6-M13 HydrophobicContact CB-CE 4.29Å; A6-M13 HydrophobicContact CB-CG 3.9Å; A6-M13 HydrophobicContact CB-SD 4.38Å; D9-M13 PolarHBondContact O-N 3Å; D9-M13 VanDerWaalsContact O-N 3.13Å; P10-M13 PolarHBondContact O-N 2.92Å; E11-M13 VanDerWaalsContact C-N 3.3Å; E11-M13 PolarHBondContact O-N 2.6Å; M13-C16 PolarHBondContact O-N 3.29Å; M13-R17 WeakPolarHBondContact O-CG 3.39Å; M13-R17 PolarHBondContact O-N 3.4Å; M13-F467 HydrophobicContact CE-CB 3.8Å; M13-F467 HydrophobicContact CE-CD2 4.39Å; M13-F467 HydrophobicContact CE-CG 4.46Å
14	A	98.2	Very high	97.3	Very high	42 Å²	42	80.4 Å²	80.4	35%	0.347	41%	0.414	S	S	.	.	H	α-helix	trans	-62.6	-47.9	175.1	0	0	0	0	0	111.3	P10 E11 I12 C16 R17 E18	P10-A14 PolarHBondContact O-N 3.26Å; E11-A14 WeakPolarHBondContact O-CB 3.25Å; E11-A14 PolarHBondContact O-N 3.13Å; I12-A14 VanDerWaalsContact C-N 3.31Å; I12-A14 PolarHBondContact O-N 3.39Å; A14-C16 VanDerWaalsContact C-N 3.31Å; A14-C16 PolarHBondContact O-N 3.05Å; A14-R17 WeakPolarHBondContact O-CB 3.44Å; A14-R17 PolarHBondContact O-N 3.48Å; A14-E18 PolarHBondContact O-N 3.49Å
15	L	98.2	Very high	97.4	Very high	100 Å²	100	79 Å²	79	52%	0.524	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-36.8	176.8	-67.2	175.7	0	0	0	112.8	E11 I12 R17 E18 E19	E11-L15 PolarHBondContact O-N 3.42Å; E11-L15 VanDerWaalsContact O-N 3.11Å; I12-L15 HydrophobicContact CD1-CD1 4.47Å; I12-L15 PolarHBondContact O-N 3.37Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 2.81Å; L15-E18 PolarHBondContact O-N 2.91Å; L15-E19 PolarHBondContact O-N 3.27Å
16	C	96.9	Very high	97.6	Very high	45 Å²	45	75.3 Å²	75.3	30%	0.304	38%	0.384	S	S	.	.	H	α-helix	trans	-60.1	-40.8	173.1	-71.9	0	0	0	0	111.9	I12 M13 A14 K20 F467	I12-C16 PolarHBondContact O-N 3.04Å; I12-C16 PolarHBondContact O-SG 3.19Å; M13-C16 PolarHBondContact O-N 3.29Å; A14-C16 VanDerWaalsContact C-N 3.31Å; A14-C16 PolarHBondContact O-N 3.05Å; C16-K20 WeakPolarHBondContact O-CB 3.38Å; C16-K20 PolarHBondContact O-N 2.94Å; C16-K20 VanDerWaalsContact O-N 3.07Å; C16-F467 HydrophobicContact CB-CD2 4.47Å; C16-F467 HydrophobicContact CB-CE2 3.74Å; C16-F467 HydrophobicContact CB-CZ 4.09Å; C16-F467 WeakPolarHBondContact O-CE2 3.29Å
17	R	97.1	Very high	97.8	Very high	127 Å²	127	73.4 Å²	73.4	48%	0.479	37%	0.368	S	S	.	.	H	α-helix	trans	-69.3	-42	178	-71.8	173.5	173.5	157.3	0.4	111.9	M13 A14 L15 E19 K20 E21 F467	M13-R17 WeakPolarHBondContact O-CG 3.39Å; M13-R17 PolarHBondContact O-N 3.4Å; A14-R17 WeakPolarHBondContact O-CB 3.44Å; A14-R17 PolarHBondContact O-N 3.48Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 2.81Å; R17-E19 PolarHBondContact O-N 2.86Å; R17-K20 PolarHBondContact O-N 3.43Å; R17-E21 PolarHBondContact O-N 2.93Å; R17-F467 HydrophobicContact CG-CD2 4.07Å; R17-F467 HydrophobicContact CG-CE2 4.31Å; R17-F467 PolarHBondContact NE-OXT 3.3Å; R17-F467 VanDerWaalsContact NE-OXT 3.13Å; R17-F467 PolarHBondContact NH2-OXT 2.75Å; R17-F467 VanDerWaalsContact NH2-OXT 3.1Å
18	E	97.7	Very high	97.8	Very high	119 Å²	119	67 Å²	67	56%	0.556	34%	0.339	S	S	*	.	H	α-helix	trans	-59.8	-44.2	175.6	-71.7	178.2	-144	0	0	112	A14 L15 E21 R22	A14-E18 PolarHBondContact O-N 3.49Å; L15-E18 PolarHBondContact O-N 2.91Å; E18-E21 PolarHBondContact O-N 3.13Å; E18-R22 PolarHBondContact O-N 3.39Å
19	E	97.7	Very high	97.9	Very high	78 Å²	78	63.3 Å²	63.3	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-67	-38.5	176.2	174.4	55.9	-164.5	0	0	112	L15 R17 E21 R22 Q23	L15-E19 PolarHBondContact O-N 3.27Å; R17-E19 PolarHBondContact O-N 2.86Å; E19-E21 VanDerWaalsContact C-N 3.3Å; E19-E21 PolarHBondContact O-N 2.87Å; E19-R22 WeakPolarHBondContact O-CB 3.12Å; E19-R22 PolarHBondContact O-N 2.9Å; E19-R22 IonicContact OE1-CZ 2.77Å; E19-R22 IonicContact OE1-NE 2.82Å; E19-R22 PolarHBondContact OE1-NE 3.44Å; E19-R22 IonicContact OE1-NH2 3.51Å; E19-R22 PolarHBondContact OE1-NH2 2.6Å; E19-R22 WeakPolarHBondContact OE2-CD 3.29Å; E19-R22 IonicContact OE2-CZ 3.33Å; E19-R22 IonicContact OE2-NE 2.79Å; E19-R22 PolarHBondContact OE2-NE 3.22Å; E19-R22 IonicContact OE2-NH2 3.31Å; E19-Q23 WeakPolarHBondContact O-CG 3.42Å; E19-Q23 PolarHBondContact O-N 3.49Å; E19-Q23 WeakPolarHBondContact OE1-CG 3.5Å; E19-Q23 PolarHBondContact OE1-NE2 3.38Å
20	K	96.9	Very high	98	Very high	44 Å²	44	62 Å²	62	19%	0.191	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-40.8	174.7	-173.3	173.5	179.8	178.1	0	111.2	C16 R17 Q23 K24 L462 L465 D466 F467	C16-K20 WeakPolarHBondContact O-CB 3.38Å; C16-K20 PolarHBondContact O-N 2.94Å; C16-K20 VanDerWaalsContact O-N 3.07Å; R17-K20 PolarHBondContact O-N 3.43Å; K20-Q23 PolarHBondContact O-N 3.16Å; K20-K24 WeakPolarHBondContact O-CB 3.34Å; K20-K24 PolarHBondContact O-N 3.48Å; K20-L462 HydrophobicContact CG-CD2 3.84Å; K20-L465 PolarHBondContact NZ-O 2.84Å; K20-D466 IonicContact NZ-OD1 2.71Å; K20-D466 PolarHBondContact NZ-OD1 3.07Å; K20-F467 HydrophobicContact CB-CE2 4.21Å; K20-F467 HydrophobicContact CB-CZ 4.27Å; K20-F467 HydrophobicContact CD-CE2 4.07Å; K20-F467 HydrophobicContact CD-CZ 4.07Å
21	E	97.1	Very high	98	Very high	115 Å²	115	58.2 Å²	58.2	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-45	175	-174.9	170.7	-161.8	0	0	111.6	R17 E18 E19 Q23 K24 L25	R17-E21 PolarHBondContact O-N 2.93Å; E18-E21 PolarHBondContact O-N 3.13Å; E19-E21 VanDerWaalsContact C-N 3.3Å; E19-E21 PolarHBondContact O-N 2.87Å; E21-Q23 VanDerWaalsContact C-N 3.31Å; E21-Q23 PolarHBondContact O-N 3.04Å; E21-K24 PolarHBondContact O-N 3.07Å; E21-K24 VanDerWaalsContact O-N 3.12Å; E21-L25 HydrophobicContact CG-CD1 3.64Å; E21-L25 HydrophobicContact CG-CG 4.14Å; E21-L25 WeakPolarHBondContact O-CB 3.22Å; E21-L25 WeakPolarHBondContact O-CG 3.5Å; E21-L25 PolarHBondContact O-N 3.02Å
22	R	98	Very high	98	Very high	73 Å²	73	52.3 Å²	52.3	28%	0.275	26%	0.257	S	S	.	.	H	α-helix	trans	-54	-47.6	174	-171.7	-155.8	67.2	82.3	-3.4	111.4	E18 E19 G26 E28	E18-R22 PolarHBondContact O-N 3.39Å; E19-R22 WeakPolarHBondContact O-CB 3.12Å; E19-R22 PolarHBondContact O-N 2.9Å; E19-R22 IonicContact OE1-CZ 2.77Å; E19-R22 IonicContact OE1-NE 2.82Å; E19-R22 PolarHBondContact OE1-NE 3.44Å; E19-R22 IonicContact OE1-NH2 3.51Å; E19-R22 PolarHBondContact OE1-NH2 2.6Å; E19-R22 WeakPolarHBondContact OE2-CD 3.29Å; E19-R22 IonicContact OE2-CZ 3.33Å; E19-R22 IonicContact OE2-NE 2.79Å; E19-R22 PolarHBondContact OE2-NE 3.22Å; E19-R22 IonicContact OE2-NH2 3.31Å; R22-G26 PolarHBondContact O-N 3.27Å; R22-E28 IonicContact CZ-OE2 2.67Å; R22-E28 IonicContact NH1-OE2 3.56Å; R22-E28 PolarHBondContact NH1-OE2 3.4Å; R22-E28 IonicContact NH2-OE2 3.87Å
23	Q	98.1	Very high	98	Very high	52 Å²	52	51.9 Å²	51.9	24%	0.243	25%	0.253	C	S	.	.	H	α-helix	trans	-65.9	-36.4	179.1	-71.1	176.9	9.6	0	0	112.8	E19 K20 E21 F35 R396 L462	E19-Q23 WeakPolarHBondContact O-CG 3.42Å; E19-Q23 PolarHBondContact O-N 3.49Å; E19-Q23 WeakPolarHBondContact OE1-CG 3.5Å; E19-Q23 PolarHBondContact OE1-NE2 3.38Å; K20-Q23 PolarHBondContact O-N 3.16Å; E21-Q23 VanDerWaalsContact C-N 3.31Å; E21-Q23 PolarHBondContact O-N 3.04Å; Q23-F35 HydrophobicContact CB-CE1 3.97Å; Q23-F35 HydrophobicContact CG-CE1 4.07Å; Q23-R396 PolarHBondContact O-NH1 3.09Å; Q23-R396 VanDerWaalsContact O-NH1 3.1Å; Q23-L462 HydrophobicContact CB-CD1 4.04Å; Q23-L462 HydrophobicContact CB-CD2 3.93Å
24	K	97.7	Very high	98.1	Very high	100 Å²	100	52 Å²	52	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-69.8	-44.4	179.2	-174.8	179.4	178.4	-176.3	0	111.9	K20 E21 R396 L462	K20-K24 WeakPolarHBondContact O-CB 3.34Å; K20-K24 PolarHBondContact O-N 3.48Å; E21-K24 PolarHBondContact O-N 3.07Å; E21-K24 VanDerWaalsContact O-N 3.12Å; K24-R396 VanDerWaalsContact O-CZ 3.31Å; K24-R396 PolarHBondContact O-NH1 3.29Å; K24-R396 PolarHBondContact O-NH2 3.06Å; K24-L462 HydrophobicContact CB-CD2 4.13Å
25	L	98.3	Very high	98.1	Very high	27 Å²	27	50.8 Å²	50.8	14%	0.141	24%	0.241	C	C	.	.	H	α-helix	trans	-89.5	-9.3	-173.2	-59.4	-177.3	0	0	0	113.5	E21 E454 A457	E21-L25 HydrophobicContact CG-CD1 3.64Å; E21-L25 HydrophobicContact CG-CG 4.14Å; E21-L25 WeakPolarHBondContact O-CB 3.22Å; E21-L25 WeakPolarHBondContact O-CG 3.5Å; E21-L25 PolarHBondContact O-N 3.02Å; L25-E454 HydrophobicContact CB-CB 4.32Å; L25-E454 HydrophobicContact CB-CG 4.03Å; L25-A457 WeakPolarHBondContact O-CB 3.44Å
26	G	98.5	Very high	98.1	Very high	5 Å²	5	47.2 Å²	47.2	5%	0.052	22%	0.224	C	C	.	.	S	Bend	trans	-97	159.5	179.2	0	0	0	0	0	115.3	R22 R366 R396	R22-G26 PolarHBondContact O-N 3.27Å; G26-R366 CarbonylContact C-O 3.55Å; G26-R366 VanDerWaalsContact CA-O 3.3Å; G26-R366 WeakPolarHBondContact CA-O 3.32Å; G26-R396 PolarHBondContact O-NH1 3.48Å; G26-R396 VanDerWaalsContact O-NH1 3.15Å
27	L	98.9	Very high	98.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	96.1	167.9	-63.4	177.1	0	0	0	109.8	L29 R366 I367 A368 L393 F398 V406 F409 I453 F456 A457	L27-L29 PolarHBondContact O-N 3.16Å; L27-R366 PolarHBondContact N-O 3.48Å; L27-I367 HydrophobicContact CB-CG1 4.21Å; L27-I367 HydrophobicContact CD1-CG1 4.14Å; L27-A368 PolarHBondContact O-N 3.45Å; L27-L393 HydrophobicContact CB-CD1 4.33Å; L27-L393 HydrophobicContact CD2-CD1 4.11Å; L27-L393 HydrophobicContact CD2-CD2 4.22Å; L27-F398 HydrophobicContact CD2-CE1 3.78Å; L27-F398 HydrophobicContact CD2-CZ 3.85Å; L27-V406 HydrophobicContact CD1-CG2 4.25Å; L27-V406 HydrophobicContact CD2-CG2 4.31Å; L27-F409 HydrophobicContact CD1-CD2 3.89Å; L27-I453 HydrophobicContact CD1-CG1 4.42Å; L27-I453 HydrophobicContact CD1-CG2 3.81Å; L27-I453 HydrophobicContact CG-CG2 3.83Å; L27-F456 HydrophobicContact CD2-CD1 4.25Å; L27-F456 HydrophobicContact CD2-CE1 4.43Å; L27-A457 HydrophobicContact CD2-CB 4.13Å
28	E	98.8	Very high	98.2	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.014	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	99.4	-177.4	-163.6	56.6	-106.3	0	0	111.2	R22 I30 E33 F35 A368 A392	R22-E28 IonicContact CZ-OE2 2.67Å; R22-E28 IonicContact NH1-OE2 3.56Å; R22-E28 PolarHBondContact NH1-OE2 3.4Å; R22-E28 IonicContact NH2-OE2 3.87Å; E28-I30 WeakPolarHBondContact OE1-CD1 3.39Å; E28-I30 WeakPolarHBondContact OE1-CG1 3.06Å; E28-E33 HydrophobicContact CG-CB 4.19Å; E28-F35 HydrophobicContact CB-CE2 4.47Å; E28-F35 HydrophobicContact CB-CZ 4.08Å; E28-F35 HydrophobicContact CG-CZ 4.36Å; E28-A368 WeakPolarHBondContact OE1-CB 2.94Å; E28-A368 WeakPolarHBondContact OE2-CB 3.39Å; E28-A392 HydrophobicContact CB-CB 4.02Å; E28-A392 HydrophobicContact CG-CB 3.98Å
29	L	98.9	Very high	98.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.			trans	-111	8	-179.3	-64.5	172.9	0	0	0	112.9	L27 A31 I367 A368 F388 G389 L393 F403 V406 I410	L27-L29 PolarHBondContact O-N 3.16Å; L29-A31 PolarHBondContact O-N 3.32Å; L29-A31 VanDerWaalsContact O-N 3.14Å; L29-I367 HydrophobicContact CD1-CG2 3.71Å; L29-I367 HydrophobicContact CG-CG2 4.49Å; L29-A368 CarbonylContact C-O 3.51Å; L29-A368 VanDerWaalsContact CA-O 3.26Å; L29-A368 WeakPolarHBondContact CA-O 3.36Å; L29-A368 WeakPolarHBondContact CB-O 3.41Å; L29-A368 PolarHBondContact N-O 3.47Å; L29-F388 HydrophobicContact CB-CB 4.49Å; L29-F388 HydrophobicContact CB-CD1 3.9Å; L29-F388 HydrophobicContact CD1-CD1 3.77Å; L29-F388 HydrophobicContact CD1-CE1 4.18Å; L29-F388 HydrophobicContact CG-CD1 4.47Å; L29-F388 CarbonylContact O-C 3.54Å; L29-F388 WeakPolarHBondContact O-CA 3.49Å; L29-G389 WeakPolarHBondContact CD2-O 3.46Å; L29-G389 PolarHBondContact O-N 2.74Å; L29-L393 HydrophobicContact CD2-CD1 3.66Å; L29-L393 HydrophobicContact CD2-CG 4.39Å; L29-L393 HydrophobicContact CG-CD1 4.29Å; L29-F403 HydrophobicContact CD2-CE1 4.22Å; L29-V406 HydrophobicContact CD1-CG1 3.9Å; L29-V406 HydrophobicContact CD2-CG1 4.19Å; L29-I410 HydrophobicContact CD1-CD1 3.63Å; L29-I410 HydrophobicContact CD1-CG1 4.14Å
30	I	98.8	Very high	98.3	Very high	34 Å²	34	37 Å²	37	17%	0.174	19%	0.186	C	C	.	.			trans	-65.6	115.6	172.2	-63.5	176.5	0	0	0	108.8	E28 S32 E33 A368	E28-I30 WeakPolarHBondContact OE1-CD1 3.39Å; E28-I30 WeakPolarHBondContact OE1-CG1 3.06Å; I30-S32 WeakPolarHBondContact CG2-OG 3.35Å; I30-S32 PolarHBondContact O-N 3.12Å; I30-E33 HydrophobicContact CB-CB 4.27Å; I30-E33 HydrophobicContact CB-CG 3.94Å; I30-E33 HydrophobicContact CG2-CB 4.45Å; I30-E33 HydrophobicContact CG2-CG 3.79Å; I30-E33 PolarHBondContact O-N 2.92Å; I30-A368 HydrophobicContact CD1-CB 4.24Å; I30-A368 HydrophobicContact CG1-CB 4.34Å; I30-A368 PolarHBondContact N-O 2.92Å
31	A	98.6	Very high	98.3	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.017	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.4	-172.7	0	0	0	0	0	115.5	L29 H342 L343 R387	L29-A31 PolarHBondContact O-N 3.32Å; L29-A31 VanDerWaalsContact O-N 3.14Å; A31-H342 PolarHBondContact O-CD2 2.82Å; A31-H342 PolarHBondContact O-NE2 3.38Å; A31-L343 HydrophobicContact CB-CB 3.76Å; A31-L343 HydrophobicContact CB-CD2 4.2Å; A31-R387 HydrophobicContact CB-CG 4.28Å
32	S	98.6	Very high	98.4	Very high	33 Å²	33	36.8 Å²	36.8	23%	0.231	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.1	176.9	47.7	0	0	0	0	114.2	I30 K237	I30-S32 WeakPolarHBondContact CG2-OG 3.35Å; I30-S32 PolarHBondContact O-N 3.12Å; S32-K237 WeakPolarHBondContact O-CG 3.31Å
33	E	98.7	Very high	98.4	Very high	68 Å²	68	34.1 Å²	34.1	32%	0.318	18%	0.18	S	C	.	.			trans	-98.9	156.2	-178.9	-66.7	-165.3	-177	0	0	112.4	E28 I30	E28-E33 HydrophobicContact CG-CB 4.19Å; I30-E33 HydrophobicContact CB-CB 4.27Å; I30-E33 HydrophobicContact CB-CG 3.94Å; I30-E33 HydrophobicContact CG2-CB 4.45Å; I30-E33 HydrophobicContact CG2-CG 3.79Å; I30-E33 PolarHBondContact O-N 2.92Å
34	N	98.7	Very high	98.4	Very high	25 Å²	25	33.7 Å²	33.7	13%	0.134	18%	0.18	C	C	.	.			trans	-163.8	163.9	176.3	-146.8	-26	0	0	0	110.4	K237 R240 Y312 S395	N34-K237 WeakPolarHBondContact CB-O 3.4Å; N34-K237 PolarHBondContact ND2-O 3.23Å; N34-R240 HydrophobicContact CB-CG 4.24Å; N34-Y312 PolarHBondContact ND2-OH 3.1Å; N34-S395 WeakPolarHBondContact OD1-CB 3.27Å; N34-S395 PolarHBondContact OD1-OG 2.92Å
35	F	98.5	Very high	98.3	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.066	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-100.1	116	175.5	-57	-68.5	0	0	0	110.2	Q23 E28 R240 A392 R396 L462 P463	Q23-F35 HydrophobicContact CB-CE1 3.97Å; Q23-F35 HydrophobicContact CG-CE1 4.07Å; E28-F35 HydrophobicContact CB-CE2 4.47Å; E28-F35 HydrophobicContact CB-CZ 4.08Å; E28-F35 HydrophobicContact CG-CZ 4.36Å; F35-R240 VanDerWaalsContact O-CD 3.24Å; F35-R240 WeakPolarHBondContact O-CD 3.48Å; F35-R240 WeakPolarHBondContact O-CG 3.49Å; F35-A392 HydrophobicContact CD2-CB 4.25Å; F35-A392 WeakPolarHBondContact CD2-O 3.16Å; F35-A392 HydrophobicContact CE2-CB 3.84Å; F35-A392 WeakPolarHBondContact CE2-O 3.24Å; F35-R396 HydrophobicContact CD2-CG 3.7Å; F35-R396 VanDerWaalsContact CE2-CD 3.47Å; F35-R396 HydrophobicContact CE2-CG 3.64Å; F35-L462 HydrophobicContact CD1-CD1 3.63Å; F35-L462 HydrophobicContact CD2-CD1 4.35Å; F35-L462 HydrophobicContact CE1-CD1 3.52Å; F35-L462 HydrophobicContact CE2-CD1 4.25Å; F35-L462 HydrophobicContact CG-CD1 4.06Å; F35-L462 HydrophobicContact CZ-CD1 3.84Å; F35-P463 HydrophobicContact CB-CB 3.96Å; F35-P463 HydrophobicContact CB-CG 3.94Å
36	T	97.5	Very high	98.3	Very high	26 Å²	26	34.1 Å²	34.1	16%	0.16	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-74.1	148.9	179.2	-76.4	0	0	0	0	111.3	V40 L41 G241	T36-V40 HydrophobicContact CG2-CB 3.37Å; T36-V40 HydrophobicContact CG2-CG1 3.24Å; T36-V40 HydrophobicContact CG2-CG2 4.28Å; T36-L41 HydrophobicContact CG2-CD2 4.05Å; T36-L41 HydrophobicContact CG2-CG 4.05Å; T36-G241 PolarHBondContact OG1-O 2.93Å
37	S	98	Very high	98.2	Very high	21 Å²	21	38.4 Å²	38.4	15%	0.147	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-67.1	154.3	178.1	82	0	0	0	0	112.5	A39 V40 L41 E303	S37-A39 PolarHBondContact O-N 2.92Å; S37-A39 PolarHBondContact OG-N 3.46Å; S37-V40 PolarHBondContact O-N 3.41Å; S37-V40 VanDerWaalsContact OG-CG2 3.3Å; S37-V40 WeakPolarHBondContact OG-CG2 3.45Å; S37-V40 PolarHBondContact OG-N 3.46Å; S37-L41 WeakPolarHBondContact O-CG 3.31Å; S37-L41 PolarHBondContact O-N 3.14Å; S37-L41 VanDerWaalsContact O-N 3.13Å; S37-E303 VanDerWaalsContact CB-OE1 3.31Å; S37-E303 WeakPolarHBondContact CB-OE1 3.27Å; S37-E303 WeakPolarHBondContact CB-OE2 3.44Å; S37-E303 VanDerWaalsContact OG-CD 3.28Å; S37-E303 PolarHBondContact OG-OE1 3.25Å; S37-E303 PolarHBondContact OG-OE2 2.92Å
38	Q	97.9	Very high	98.2	Very high	91 Å²	91	40.7 Å²	40.7	43%	0.425	24%	0.236	S	C	.	.	H	α-helix	trans	-56.3	-39.3	174.3	-168.7	-179.6	-4.2	0	0	112.3	V40 L41 Q42 G464 L465	Q38-V40 PolarHBondContact O-N 2.95Å; Q38-L41 PolarHBondContact O-N 3.17Å; Q38-Q42 WeakPolarHBondContact O-CG 3.49Å; Q38-Q42 PolarHBondContact O-N 2.93Å; Q38-G464 WeakPolarHBondContact CB-O 3.34Å; Q38-L465 HydrophobicContact CG-CD2 3.64Å; Q38-L465 HydrophobicContact CG-CG 4.34Å
39	A	98.3	Very high	98.2	Very high	41 Å²	41	46.6 Å²	46.6	34%	0.339	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-38.9	-179	0	0	0	0	0	112.3	S37 Q42 A43 V299	S37-A39 PolarHBondContact O-N 2.92Å; S37-A39 PolarHBondContact OG-N 3.46Å; A39-Q42 PolarHBondContact O-N 3.47Å; A39-A43 PolarHBondContact O-N 3.4Å; A39-A43 VanDerWaalsContact O-N 3.08Å; A39-V299 HydrophobicContact CB-CG1 3.82Å
40	V	98.6	Very high	98.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.9	-42.1	174.3	173.3	0	0	0	0	110.6	T36 S37 Q38 A43 L44 P242 A296 V299 C300	T36-V40 HydrophobicContact CG2-CB 3.37Å; T36-V40 HydrophobicContact CG2-CG1 3.24Å; T36-V40 HydrophobicContact CG2-CG2 4.28Å; S37-V40 PolarHBondContact O-N 3.41Å; S37-V40 VanDerWaalsContact OG-CG2 3.3Å; S37-V40 WeakPolarHBondContact OG-CG2 3.45Å; S37-V40 PolarHBondContact OG-N 3.46Å; Q38-V40 PolarHBondContact O-N 2.95Å; V40-A43 PolarHBondContact O-N 3.39Å; V40-L44 PolarHBondContact O-N 2.72Å; V40-L44 VanDerWaalsContact O-N 3.07Å; V40-P242 HydrophobicContact CG1-CB 4.09Å; V40-P242 HydrophobicContact CG1-CG 4.25Å; V40-A296 HydrophobicContact CG1-CB 3.91Å; V40-A296 WeakPolarHBondContact O-CB 3.38Å; V40-V299 HydrophobicContact CG2-CB 4.07Å; V40-V299 HydrophobicContact CG2-CG1 3.75Å; V40-C300 HydrophobicContact CG2-CB 3.82Å
41	L	98.2	Very high	98.1	Very high	49 Å²	49	54.2 Å²	54.2	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-40.4	175.7	-64	175.1	0	0	0	112.1	T36 S37 Q38 A43 L44 S45 L465	T36-L41 HydrophobicContact CG2-CD2 4.05Å; T36-L41 HydrophobicContact CG2-CG 4.05Å; S37-L41 WeakPolarHBondContact O-CG 3.31Å; S37-L41 PolarHBondContact O-N 3.14Å; S37-L41 VanDerWaalsContact O-N 3.13Å; Q38-L41 PolarHBondContact O-N 3.17Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.32Å; L41-L44 HydrophobicContact CD2-CD1 4.24Å; L41-L44 WeakPolarHBondContact O-CB 3.39Å; L41-L44 PolarHBondContact O-N 3.36Å; L41-S45 PolarHBondContact O-N 3.16Å; L41-L465 HydrophobicContact CB-CD1 3.86Å; L41-L465 HydrophobicContact CB-CG 4.05Å; L41-L465 HydrophobicContact CD1-CD1 4.19Å; L41-L465 HydrophobicContact CD1-CG 3.95Å
42	Q	98	Very high	98.1	Very high	107 Å²	107	59.8 Å²	59.8	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-40.2	175.1	-74.2	172.2	-20.5	0	0	112.2	Q38 A39 L44 S45 S46 L465	Q38-Q42 WeakPolarHBondContact O-CG 3.49Å; Q38-Q42 PolarHBondContact O-N 2.93Å; A39-Q42 PolarHBondContact O-N 3.47Å; Q42-L44 VanDerWaalsContact C-N 3.34Å; Q42-S45 PolarHBondContact O-N 2.87Å; Q42-S46 PolarHBondContact O-N 2.95Å; Q42-L465 HydrophobicContact CG-CD2 4.2Å
43	A	98.5	Very high	98.1	Very high	16 Å²	16	58.2 Å²	58.2	13%	0.132	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-36.1	175.5	0	0	0	0	0	112.4	A39 V40 L41 S45 S46 A296 V299	A39-A43 PolarHBondContact O-N 3.4Å; A39-A43 VanDerWaalsContact O-N 3.08Å; V40-A43 PolarHBondContact O-N 3.39Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.32Å; A43-S45 VanDerWaalsContact C-N 3.28Å; A43-S45 PolarHBondContact O-N 3.45Å; A43-S46 WeakPolarHBondContact O-CB 3.37Å; A43-S46 PolarHBondContact O-N 3.5Å; A43-S46 PolarHBondContact O-OG 2.97Å; A43-A296 HydrophobicContact CB-CB 3.91Å; A43-V299 HydrophobicContact CB-CG2 4.07Å
44	L	97.9	Very high	98.1	Very high	44 Å²	44	56.4 Å²	56.4	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-35.2	174.7	-79.3	171.6	0	0	0	112.8	V40 L41 Q42 S46 P242 N292 A296	V40-L44 PolarHBondContact O-N 2.72Å; V40-L44 VanDerWaalsContact O-N 3.07Å; L41-L44 HydrophobicContact CD2-CD1 4.24Å; L41-L44 WeakPolarHBondContact O-CB 3.39Å; L41-L44 PolarHBondContact O-N 3.36Å; Q42-L44 VanDerWaalsContact C-N 3.34Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-P242 HydrophobicContact CD1-CB 3.92Å; L44-P242 HydrophobicContact CD2-CB 3.92Å; L44-P242 HydrophobicContact CG-CB 4.15Å; L44-N292 WeakPolarHBondContact O-CB 3.35Å; L44-N292 PolarHBondContact O-ND2 3.19Å; L44-A296 HydrophobicContact CD2-CB 3.88Å; L44-A296 HydrophobicContact CG-CB 3.68Å
45	S	96.4	Very high	98.1	Very high	103 Å²	103	55.4 Å²	55.4	72%	0.72	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	10.6	179.9	-58.8	0	0	0	0	114	L41 Q42 A43	L41-S45 PolarHBondContact O-N 3.16Å; Q42-S45 PolarHBondContact O-N 2.87Å; A43-S45 VanDerWaalsContact C-N 3.28Å; A43-S45 PolarHBondContact O-N 3.45Å
46	S	97.8	Very high	98	Very high	33 Å²	33	56.3 Å²	56.3	23%	0.231	30%	0.304	C	S	.	.	S	Bend	trans	-81.5	170.2	-177.1	71.6	0	0	0	0	113.7	Q42 A43 L44 F48 H49	Q42-S46 PolarHBondContact O-N 2.95Å; A43-S46 WeakPolarHBondContact O-CB 3.37Å; A43-S46 PolarHBondContact O-N 3.5Å; A43-S46 PolarHBondContact O-OG 2.97Å; L44-S46 VanDerWaalsContact C-N 3.33Å; S46-F48 PolarHBondContact O-N 3.33Å; S46-F48 VanDerWaalsContact OG-CD2 3.29Å; S46-F48 WeakPolarHBondContact OG-CD2 3.07Å; S46-H49 WeakPolarHBondContact O-CB 3.38Å; S46-H49 PolarHBondContact O-N 3.39Å; S46-H49 VanDerWaalsContact O-N 3.12Å
47	S	97.8	Very high	98	Very high	94 Å²	94	57.3 Å²	57.3	66%	0.657	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-63.2	-10.8	178.1	58.9	0	0	0	0	114.6	H49 N50	S47-H49 PolarHBondContact O-N 3.05Å; S47-H49 VanDerWaalsContact O-N 3.13Å; S47-N50 PolarHBondContact O-N 3.39Å
48	F	98.5	Very high	97.9	Very high	49 Å²	49	59.9 Å²	59.9	22%	0.215	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-55.8	-26	169.6	-74.5	-58.8	0	0	0	112.3	S46 N50 K51 V67 V68 M71 N291 N292 A295	S46-F48 PolarHBondContact O-N 3.33Å; S46-F48 VanDerWaalsContact OG-CD2 3.29Å; S46-F48 WeakPolarHBondContact OG-CD2 3.07Å; F48-N50 PolarHBondContact O-N 3.08Å; F48-K51 PolarHBondContact O-N 2.78Å; F48-V67 HydrophobicContact CE1-CG1 4.08Å; F48-V67 HydrophobicContact CZ-CG1 4.36Å; F48-V68 HydrophobicContact CD1-CG1 3.89Å; F48-V68 HydrophobicContact CE1-CG1 4.18Å; F48-M71 HydrophobicContact CD1-CE 4.29Å; F48-M71 HydrophobicContact CE1-CB 3.92Å; F48-M71 HydrophobicContact CE1-CE 4.42Å; F48-M71 HydrophobicContact CE1-CG 3.97Å; F48-M71 HydrophobicContact CE2-CG 4.15Å; F48-M71 HydrophobicContact CZ-CB 3.88Å; F48-M71 HydrophobicContact CZ-CG 3.75Å; F48-N291 HydrophobicContact CB-CB 4.07Å; F48-N291 WeakPolarHBondContact O-CB 3.39Å; F48-N292 HydrophobicContact CB-CB 4.04Å; F48-A295 HydrophobicContact CD2-CB 3.46Å; F48-A295 VanDerWaalsContact CD2-CB 3.46Å; F48-A295 HydrophobicContact CE2-CB 3.75Å; F48-A295 HydrophobicContact CG-CB 4.18Å
49	H	97.9	Very high	97.8	Very high	128 Å²	128	58.6 Å²	58.6	59%	0.593	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-56.5	-31	175.5	-176	70.5	0	0	0	113.2	S46 S47 N292	S46-H49 WeakPolarHBondContact O-CB 3.38Å; S46-H49 PolarHBondContact O-N 3.39Å; S46-H49 VanDerWaalsContact O-N 3.12Å; S47-H49 PolarHBondContact O-N 3.05Å; S47-H49 VanDerWaalsContact O-N 3.13Å; H49-N292 HydrophobicContact CB-CB 4.23Å
50	N	97.9	Very high	97.8	Very high	132 Å²	132	58.3 Å²	58.3	71%	0.706	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-84.2	-14.4	-171.4	-60.5	-20.4	0	0	0	113.6	S47 F48	S47-N50 PolarHBondContact O-N 3.39Å; F48-N50 PolarHBondContact O-N 3.08Å
51	K	98.4	Very high	97.8	Very high	61 Å²	61	65.6 Å²	65.6	27%	0.265	36%	0.363	S	S	.	.			trans	-92.4	120.2	-172.5	-171.4	67.7	-178.5	94.4	0	111.3	F48 G63 G64 V68 N291	F48-K51 PolarHBondContact O-N 2.78Å; K51-G63 WeakPolarHBondContact CE-O 3.37Å; K51-G63 PolarHBondContact NZ-O 2.96Å; K51-G64 VanDerWaalsContact CE-C 3.43Å; K51-G64 WeakPolarHBondContact CE-O 3.45Å; K51-V68 HydrophobicContact CB-CG1 3.96Å; K51-V68 HydrophobicContact CG-CG1 3.84Å; K51-V68 HydrophobicContact CG-CG2 4.17Å; K51-N291 PolarHBondContact O-ND2 3.38Å
52	Y	98.4	Very high	97.7	Very high	120 Å²	120	68.7 Å²	68.7	47%	0.471	37%	0.373	S	S	.	.			trans	-84.7	126.3	166.3	-146.8	-98.6	0	0	0	110.1	E54 Y62 G288	Y52-E54 HydrophobicContact CD1-CG 4.15Å; Y52-E54 HydrophobicContact CE1-CG 3.5Å; Y52-E54 VanDerWaalsContact CE1-OE1 3.29Å; Y52-E54 WeakPolarHBondContact CE1-OE1 3.28Å; Y52-E54 PolarHBondContact OH-OE1 3.14Å; Y52-Y62 AromaticContact CD1-CD2 3.91Å; Y52-Y62 HydrophobicContact CD1-CD2 3.91Å; Y52-Y62 AromaticContact CD1-CE2 3.41Å; Y52-Y62 HydrophobicContact CD1-CE2 3.41Å; Y52-Y62 VanDerWaalsContact CD1-CE2 3.41Å; Y52-Y62 AromaticContact CE1-CE2 3.71Å; Y52-Y62 HydrophobicContact CE1-CE2 3.71Å; Y52-G288 PolarHBondContact OH-N 3.41Å
53	S	98.5	Very high	97.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	38%	0.38	C	S	.	.			trans	-147.4	51.2	-172.7	63	0	0	0	0	113.3	R60 P289 N291	S53-R60 PolarHBondContact O-NH1 3.5Å; S53-P289 WeakPolarHBondContact O-CD 3.01Å; S53-P289 WeakPolarHBondContact O-CG 3.25Å; S53-P289 WeakPolarHBondContact OG-CG 3.44Å; S53-N291 PolarHBondContact OG-ND2 2.8Å; S53-N291 PolarHBondContact OG-OD1 3.12Å
54	E	98.5	Very high	97.7	Very high	29 Å²	29	69.1 Å²	69.1	14%	0.136	41%	0.407	C	S	.	.			trans	-51	144.9	173.1	-76.9	178.9	165.2	0	0	112.7	Y52 R60 Y61 Y62 F282 G288	Y52-E54 HydrophobicContact CD1-CG 4.15Å; Y52-E54 HydrophobicContact CE1-CG 3.5Å; Y52-E54 VanDerWaalsContact CE1-OE1 3.29Å; Y52-E54 WeakPolarHBondContact CE1-OE1 3.28Å; Y52-E54 PolarHBondContact OH-OE1 3.14Å; E54-R60 WeakPolarHBondContact O-CA 3.48Å; E54-Y61 HydrophobicContact CB-CD2 4.24Å; E54-Y61 PolarHBondContact O-N 3.4Å; E54-Y61 VanDerWaalsContact O-N 3.07Å; E54-Y62 HydrophobicContact CB-CD2 4.31Å; E54-Y62 HydrophobicContact CB-CE2 3.93Å; E54-Y62 HydrophobicContact CG-CE2 4.19Å; E54-Y62 WeakPolarHBondContact OE2-CE2 3.38Å; E54-Y62 PolarHBondContact OE2-OH 3.39Å; E54-F282 HydrophobicContact CB-CE1 4.44Å; E54-F282 HydrophobicContact CB-CE2 3.75Å; E54-F282 HydrophobicContact CB-CZ 3.67Å; E54-F282 HydrophobicContact CG-CD2 4.35Å; E54-F282 HydrophobicContact CG-CE2 3.59Å; E54-F282 HydrophobicContact CG-CZ 4.04Å; E54-G288 PolarHBondContact OE1-N 2.97Å
55	G	97.8	Very high	97.7	Very high	4 Å²	4	67.9 Å²	67.9	4%	0.041	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.9	-167.1	-172.2	0	0	0	0	0	113.6	A59 R60 Q95	G55-A59 WeakPolarHBondContact CA-O 3.45Å; G55-R60 PolarHBondContact O-NH1 2.89Å; G55-Q95 PolarHBondContact O-NE2 3.46Å
56	Q	97.7	Very high	97.8	Very high	34 Å²	34	69.2 Å²	69.2	16%	0.159	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	164.1	178.3	-67.4	-62.2	-46.3	0	0	110.5	G58 A59 R60	Q56-G58 PolarHBondContact O-N 2.94Å; Q56-A59 PolarHBondContact N-O 2.91Å; Q56-A59 CarbonylContact O-C 3.51Å; Q56-A59 WeakPolarHBondContact O-CA 3.36Å; Q56-A59 PolarHBondContact O-N 3.32Å; Q56-R60 VanDerWaalsContact O-CD 3.27Å; Q56-R60 WeakPolarHBondContact O-CD 3.43Å; Q56-R60 PolarHBondContact O-NE 3.46Å
57	V	97.8	Very high	97.8	Very high	48 Å²	48	72 Å²	72	29%	0.291	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	126.6	170.7	175.5	0	0	0	0	109.9	A59 D69 E72 T73	V57-A59 PolarHBondContact O-N 3.15Å; V57-D69 HydrophobicContact CG1-CB 4.21Å; V57-E72 HydrophobicContact CG2-CB 3.87Å; V57-E72 HydrophobicContact CG2-CG 3.97Å; V57-T73 WeakPolarHBondContact CG1-OG1 3.28Å
58	G	94.9	Very high	97.8	Very high	75 Å²	75	67.8 Å²	67.8	77%	0.773	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-6.7	-178.4	0	0	0	0	0	115.6	Q56	Q56-G58 PolarHBondContact O-N 2.94Å
59	A	97	Very high	97.9	Very high	63 Å²	63	66.7 Å²	66.7	52%	0.521	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	58.6	179.7	0	0	0	0	0	110.2	G55 Q56 V57	G55-A59 WeakPolarHBondContact CA-O 3.45Å; Q56-A59 PolarHBondContact N-O 2.91Å; Q56-A59 CarbonylContact O-C 3.51Å; Q56-A59 WeakPolarHBondContact O-CA 3.36Å; Q56-A59 PolarHBondContact O-N 3.32Å; V57-A59 PolarHBondContact O-N 3.15Å
60	R	98	Very high	97.9	Very high	35 Å²	35	66.6 Å²	66.6	13%	0.132	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	147.5	-178.4	-59.4	-67.8	-167.8	-173.3	-1	111.1	S53 E54 G55 Q56 Y62 T65 D69 E72	S53-R60 PolarHBondContact O-NH1 3.5Å; E54-R60 WeakPolarHBondContact O-CA 3.48Å; G55-R60 PolarHBondContact O-NH1 2.89Å; Q56-R60 VanDerWaalsContact O-CD 3.27Å; Q56-R60 WeakPolarHBondContact O-CD 3.43Å; Q56-R60 PolarHBondContact O-NE 3.46Å; R60-Y62 VanDerWaalsContact C-N 3.34Å; R60-T65 HydrophobicContact CB-CG2 4Å; R60-T65 HydrophobicContact CG-CG2 3.85Å; R60-D69 IonicContact CZ-OD1 3.99Å; R60-D69 IonicContact NE-OD1 3.02Å; R60-D69 PolarHBondContact NE-OD1 2.98Å; R60-D69 IonicContact NH2-OD1 2.68Å; R60-D69 PolarHBondContact NH2-OD1 2.92Å; R60-E72 IonicContact CZ-OE2 3.16Å; R60-E72 VanDerWaalsContact CZ-OE2 3.29Å; R60-E72 IonicContact NH1-OE2 2.73Å; R60-E72 PolarHBondContact NH1-OE2 3.46Å; R60-E72 IonicContact NH2-OE2 2.81Å; R60-E72 PolarHBondContact NH2-OE2 3.43Å
61	Y	97.5	Very high	97.9	Very high	153 Å²	153	61 Å²	61	60%	0.6	35%	0.346	S	S	*	.	S	Bend	trans	-80.2	-19.5	176.2	-72.8	-104.7	0	0	0	112.8	E54 F282	E54-Y61 HydrophobicContact CB-CD2 4.24Å; E54-Y61 PolarHBondContact O-N 3.4Å; E54-Y61 VanDerWaalsContact O-N 3.07Å; Y61-F282 HydrophobicContact CD2-CE1 4.01Å; Y61-F282 HydrophobicContact CD2-CZ 4.11Å; Y61-F282 AromaticContact CE2-CE1 3.41Å; Y61-F282 HydrophobicContact CE2-CE1 3.41Å; Y61-F282 VanDerWaalsContact CE2-CE1 3.41Å; Y61-F282 AromaticContact CE2-CZ 3.82Å; Y61-F282 HydrophobicContact CE2-CZ 3.82Å; Y61-F282 AromaticContact CZ-CE1 3.98Å
62	Y	97.4	Very high	98	Very high	115 Å²	115	58.1 Å²	58.1	45%	0.451	33%	0.333	S	S	.	.	S	Bend	trans	-125.1	153.4	-175.2	-55	-69.9	0	0	0	111.7	Y52 E54 R60 T65	Y52-Y62 AromaticContact CD1-CD2 3.91Å; Y52-Y62 HydrophobicContact CD1-CD2 3.91Å; Y52-Y62 AromaticContact CD1-CE2 3.41Å; Y52-Y62 HydrophobicContact CD1-CE2 3.41Å; Y52-Y62 VanDerWaalsContact CD1-CE2 3.41Å; Y52-Y62 AromaticContact CE1-CE2 3.71Å; Y52-Y62 HydrophobicContact CE1-CE2 3.71Å; E54-Y62 HydrophobicContact CB-CD2 4.31Å; E54-Y62 HydrophobicContact CB-CE2 3.93Å; E54-Y62 HydrophobicContact CG-CE2 4.19Å; E54-Y62 WeakPolarHBondContact OE2-CE2 3.38Å; E54-Y62 PolarHBondContact OE2-OH 3.39Å; R60-Y62 VanDerWaalsContact C-N 3.34Å; Y62-T65 WeakPolarHBondContact O-CG2 3.44Å
63	G	97.7	Very high	98	Very high	63 Å²	63	55.8 Å²	55.8	65%	0.649	33%	0.332	S	S	*	.	S	Bend	trans	-74.9	175.9	172.6	0	0	0	0	0	114.2	K51	K51-G63 WeakPolarHBondContact CE-O 3.37Å; K51-G63 PolarHBondContact NZ-O 2.96Å
64	G	97.8	Very high	98	Very high	69 Å²	69	59.3 Å²	59.3	71%	0.711	35%	0.35	S	S	*	.			trans	72.8	25.3	176.9	0	0	0	0	0	114.4	K51	K51-G64 VanDerWaalsContact CE-C 3.43Å; K51-G64 WeakPolarHBondContact CE-O 3.45Å
65	T	98.2	Very high	98	Very high	18 Å²	18	58 Å²	58	11%	0.11	34%	0.344	C	S	.	.			trans	-94.7	1.1	-173.6	58.3	0	0	0	0	114.8	R60 Y62 V67 V68 D69	R60-T65 HydrophobicContact CB-CG2 4Å; R60-T65 HydrophobicContact CG-CG2 3.85Å; Y62-T65 WeakPolarHBondContact O-CG2 3.44Å; T65-V67 VanDerWaalsContact C-N 3.3Å; T65-V67 PolarHBondContact O-N 3.28Å; T65-V67 VanDerWaalsContact O-N 3.14Å; T65-V68 HydrophobicContact CG2-CG2 4.08Å; T65-V68 WeakPolarHBondContact O-CG2 3.43Å; T65-V68 PolarHBondContact O-N 2.9Å; T65-V68 VanDerWaalsContact O-N 3.14Å; T65-D69 WeakPolarHBondContact CB-OD2 3.5Å; T65-D69 VanDerWaalsContact O-CB 3.3Å; T65-D69 WeakPolarHBondContact O-CB 3.42Å; T65-D69 PolarHBondContact O-N 3.28Å; T65-D69 PolarHBondContact OG1-OD2 3.42Å
66	E	97.9	Very high	98.1	Very high	130 Å²	130	59.6 Å²	59.6	61%	0.607	35%	0.35	S	S	*	.	H	α-helix	trans	-51.3	-45.9	-173.2	-169.6	-164.5	157.5	0	0	113.3	K70	E66-K70 WeakPolarHBondContact O-CG 3.34Å; E66-K70 PolarHBondContact O-N 3.16Å; E66-K70 WeakPolarHBondContact OE1-CE 3.43Å; E66-K70 IonicContact OE1-NZ 3.81Å; E66-K70 PolarHBondContact OE1-NZ 3.41Å
67	V	98.4	Very high	98.1	Very high	92 Å²	92	64 Å²	64	56%	0.558	37%	0.369	S	S	*	.	H	α-helix	trans	-76	-40.1	-177.8	-176.3	0	0	0	0	111.9	F48 T65 D69 K70 M71	F48-V67 HydrophobicContact CE1-CG1 4.08Å; F48-V67 HydrophobicContact CZ-CG1 4.36Å; T65-V67 VanDerWaalsContact C-N 3.3Å; T65-V67 PolarHBondContact O-N 3.28Å; T65-V67 VanDerWaalsContact O-N 3.14Å; V67-D69 VanDerWaalsContact C-N 3.3Å; V67-D69 PolarHBondContact O-N 3.18Å; V67-K70 PolarHBondContact O-N 3.47Å; V67-M71 WeakPolarHBondContact O-CB 3.36Å; V67-M71 PolarHBondContact O-N 2.72Å
68	V	98.4	Very high	98.2	Very high	6 Å²	6	65 Å²	65	4%	0.036	37%	0.367	C	S	.	.	H	α-helix	trans	-68.8	-30.7	176.5	-67.9	0	0	0	0	111.7	F48 K51 T65 M71 E72 N291	F48-V68 HydrophobicContact CD1-CG1 3.89Å; F48-V68 HydrophobicContact CE1-CG1 4.18Å; K51-V68 HydrophobicContact CB-CG1 3.96Å; K51-V68 HydrophobicContact CG-CG1 3.84Å; K51-V68 HydrophobicContact CG-CG2 4.17Å; T65-V68 HydrophobicContact CG2-CG2 4.08Å; T65-V68 WeakPolarHBondContact O-CG2 3.43Å; T65-V68 PolarHBondContact O-N 2.9Å; T65-V68 VanDerWaalsContact O-N 3.14Å; V68-M71 HydrophobicContact CB-CE 4.39Å; V68-M71 PolarHBondContact O-N 3.08Å; V68-E72 WeakPolarHBondContact O-CB 3.43Å; V68-E72 PolarHBondContact O-N 3.19Å; V68-N291 HydrophobicContact CG1-CB 4.25Å
69	D	98.7	Very high	98.4	Very high	25 Å²	25	61.5 Å²	61.5	13%	0.134	33%	0.331	C	S	.	.	H	α-helix	trans	-68.6	-41.3	174.6	-73.4	-18.8	0	0	0	111.6	V57 R60 T65 V67 T73	V57-D69 HydrophobicContact CG1-CB 4.21Å; R60-D69 IonicContact CZ-OD1 3.99Å; R60-D69 IonicContact NE-OD1 3.02Å; R60-D69 PolarHBondContact NE-OD1 2.98Å; R60-D69 IonicContact NH2-OD1 2.68Å; R60-D69 PolarHBondContact NH2-OD1 2.92Å; T65-D69 WeakPolarHBondContact CB-OD2 3.5Å; T65-D69 VanDerWaalsContact O-CB 3.3Å; T65-D69 WeakPolarHBondContact O-CB 3.42Å; T65-D69 PolarHBondContact O-N 3.28Å; T65-D69 PolarHBondContact OG1-OD2 3.42Å; V67-D69 VanDerWaalsContact C-N 3.3Å; V67-D69 PolarHBondContact O-N 3.18Å; D69-T73 WeakPolarHBondContact O-CB 3.32Å; D69-T73 PolarHBondContact O-N 2.74Å; D69-T73 PolarHBondContact O-OG1 2.86Å
70	K	98.7	Very high	98.4	Very high	126 Å²	126	58.9 Å²	58.9	55%	0.548	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-44.7	170.9	-71	170.9	-170.9	172.3	0	111.2	E66 V67 L74	E66-K70 WeakPolarHBondContact O-CG 3.34Å; E66-K70 PolarHBondContact O-N 3.16Å; E66-K70 WeakPolarHBondContact OE1-CE 3.43Å; E66-K70 IonicContact OE1-NZ 3.81Å; E66-K70 PolarHBondContact OE1-NZ 3.41Å; V67-K70 PolarHBondContact O-N 3.47Å; K70-L74 WeakPolarHBondContact O-CB 3.41Å; K70-L74 PolarHBondContact O-N 2.86Å
71	M	98.7	Very high	98.5	Very high	15 Å²	15	60.6 Å²	60.6	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-48.2	179.6	176.5	-78.1	-64.1	0	0	112.1	F48 V67 V68 L74 C75 N291 I294 A295	F48-M71 HydrophobicContact CD1-CE 4.29Å; F48-M71 HydrophobicContact CE1-CB 3.92Å; F48-M71 HydrophobicContact CE1-CE 4.42Å; F48-M71 HydrophobicContact CE1-CG 3.97Å; F48-M71 HydrophobicContact CE2-CG 4.15Å; F48-M71 HydrophobicContact CZ-CB 3.88Å; F48-M71 HydrophobicContact CZ-CG 3.75Å; V67-M71 WeakPolarHBondContact O-CB 3.36Å; V67-M71 PolarHBondContact O-N 2.72Å; V68-M71 HydrophobicContact CB-CE 4.39Å; V68-M71 PolarHBondContact O-N 3.08Å; M71-L74 PolarHBondContact O-N 2.75Å; M71-C75 PolarHBondContact O-N 3.47Å; M71-N291 HydrophobicContact CE-CB 3.88Å; M71-N291 WeakPolarHBondContact CE-O 3.23Å; M71-I294 HydrophobicContact CE-CB 4.09Å; M71-I294 HydrophobicContact CE-CG2 4.17Å; M71-I294 HydrophobicContact SD-CB 3.82Å; M71-I294 HydrophobicContact SD-CG2 3.5Å; M71-I294 WeakPolarHBondContact SD-CG2 3.47Å; M71-A295 HydrophobicContact CG-CB 3.89Å; M71-A295 HydrophobicContact SD-CB 3.96Å; M71-A295 PolarHBondContact SD-N 2.83Å; M71-A295 VanDerWaalsContact SD-N 3.41Å
72	E	98.9	Very high	98.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.1	-40.4	179.8	-171.9	178.1	155.5	0	0	111.1	V57 R60 V68 L74 C75 K76 V94 Q95 I294	V57-E72 HydrophobicContact CG2-CB 3.87Å; V57-E72 HydrophobicContact CG2-CG 3.97Å; R60-E72 IonicContact CZ-OE2 3.16Å; R60-E72 VanDerWaalsContact CZ-OE2 3.29Å; R60-E72 IonicContact NH1-OE2 2.73Å; R60-E72 PolarHBondContact NH1-OE2 3.46Å; R60-E72 IonicContact NH2-OE2 2.81Å; R60-E72 PolarHBondContact NH2-OE2 3.43Å; V68-E72 WeakPolarHBondContact O-CB 3.43Å; V68-E72 PolarHBondContact O-N 3.19Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 2.56Å; E72-C75 WeakPolarHBondContact O-CB 3.4Å; E72-C75 PolarHBondContact O-N 2.86Å; E72-K76 WeakPolarHBondContact O-CG 3.36Å; E72-K76 PolarHBondContact O-N 3.13Å; E72-K76 VanDerWaalsContact OE1-CE 3.25Å; E72-K76 WeakPolarHBondContact OE1-CE 3.38Å; E72-K76 IonicContact OE1-NZ 3Å; E72-K76 PolarHBondContact OE1-NZ 3.01Å; E72-V94 HydrophobicContact CG-CG2 3.82Å; E72-Q95 PolarHBondContact OE1-NE2 2.87Å; E72-Q95 PolarHBondContact OE2-NE2 3.09Å; E72-I294 HydrophobicContact CG-CG2 4.35Å
73	T	98.8	Very high	98.6	Very high	71 Å²	71	49.8 Å²	49.8	44%	0.436	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-45.8	172.7	-60.3	0	0	0	0	111.6	V57 D69 C75 K76 K77	V57-T73 WeakPolarHBondContact CG1-OG1 3.28Å; D69-T73 WeakPolarHBondContact O-CB 3.32Å; D69-T73 PolarHBondContact O-N 2.74Å; D69-T73 PolarHBondContact O-OG1 2.86Å; T73-C75 VanDerWaalsContact C-N 3.31Å; T73-C75 PolarHBondContact O-N 3.25Å; T73-K76 PolarHBondContact O-N 3.07Å; T73-K77 WeakPolarHBondContact O-CB 3.24Å; T73-K77 PolarHBondContact O-N 3.22Å
74	L	98.9	Very high	98.6	Very high	75 Å²	75	50.1 Å²	50.1	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-40.5	177	177.9	62	0	0	0	111.7	K70 M71 E72 R78	K70-L74 WeakPolarHBondContact O-CB 3.41Å; K70-L74 PolarHBondContact O-N 2.86Å; M71-L74 PolarHBondContact O-N 2.75Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 2.56Å; L74-R78 HydrophobicContact CD1-CG 4.26Å; L74-R78 WeakPolarHBondContact O-CB 3.32Å; L74-R78 WeakPolarHBondContact O-CG 3.33Å; L74-R78 PolarHBondContact O-N 2.87Å
75	C	98.9	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-50.2	176.2	-168	0	0	0	0	111.3	M71 E72 T73 K77 R78 A79 V94 I294 A298	M71-C75 PolarHBondContact O-N 3.47Å; E72-C75 WeakPolarHBondContact O-CB 3.4Å; E72-C75 PolarHBondContact O-N 2.86Å; T73-C75 VanDerWaalsContact C-N 3.31Å; T73-C75 PolarHBondContact O-N 3.25Å; C75-K77 PolarHBondContact O-N 2.98Å; C75-R78 PolarHBondContact O-N 3.22Å; C75-A79 WeakPolarHBondContact O-CB 3.49Å; C75-A79 PolarHBondContact O-N 3.43Å; C75-V94 HydrophobicContact CB-CG2 4.47Å; C75-I294 HydrophobicContact CB-CG2 3.74Å; C75-I294 PolarHBondContact SG-O 2.81Å; C75-A298 HydrophobicContact CB-CB 3.84Å
76	K	98.9	Very high	98.5	Very high	39 Å²	39	51.3 Å²	51.3	17%	0.17	28%	0.282	C	S	.	.	H	α-helix	trans	-58	-47.5	177.4	-69	-179.8	174.8	178.9	0	111.7	E72 T73 R78 A79 L80 V92 V94	E72-K76 WeakPolarHBondContact O-CG 3.36Å; E72-K76 PolarHBondContact O-N 3.13Å; E72-K76 VanDerWaalsContact OE1-CE 3.25Å; E72-K76 WeakPolarHBondContact OE1-CE 3.38Å; E72-K76 IonicContact OE1-NZ 3Å; E72-K76 PolarHBondContact OE1-NZ 3.01Å; T73-K76 PolarHBondContact O-N 3.07Å; K76-R78 PolarHBondContact O-N 3.06Å; K76-A79 PolarHBondContact O-N 2.82Å; K76-L80 WeakPolarHBondContact O-CG 3.35Å; K76-L80 PolarHBondContact O-N 3.46Å; K76-V92 HydrophobicContact CB-CG1 3.81Å; K76-V92 HydrophobicContact CG-CG1 3.97Å; K76-V94 HydrophobicContact CG-CG1 4.09Å; K76-V94 HydrophobicContact CG-CG2 4.04Å
77	K	98.8	Very high	98.5	Very high	127 Å²	127	50.1 Å²	50.1	55%	0.552	28%	0.276	S	S	*	.	H	α-helix	trans	-59	-46.7	176.7	180	172.8	-178	173	0	112.3	T73 C75 A79 L80 A81	T73-K77 WeakPolarHBondContact O-CB 3.24Å; T73-K77 PolarHBondContact O-N 3.22Å; C75-K77 PolarHBondContact O-N 2.98Å; K77-A79 VanDerWaalsContact C-N 3.31Å; K77-A79 PolarHBondContact O-N 2.98Å; K77-L80 PolarHBondContact O-N 3.18Å; K77-A81 VanDerWaalsContact O-CB 3.27Å; K77-A81 WeakPolarHBondContact O-CB 3.32Å; K77-A81 PolarHBondContact O-N 3.34Å
78	R	98.9	Very high	98.3	Very high	69 Å²	69	49.3 Å²	49.3	26%	0.26	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-37.8	177.5	-75.3	-179	178.6	168.8	5.6	111.9	L74 C75 K76 A81 L82 A298 L301	L74-R78 HydrophobicContact CD1-CG 4.26Å; L74-R78 WeakPolarHBondContact O-CB 3.32Å; L74-R78 WeakPolarHBondContact O-CG 3.33Å; L74-R78 PolarHBondContact O-N 2.87Å; C75-R78 PolarHBondContact O-N 3.22Å; K76-R78 PolarHBondContact O-N 3.06Å; R78-A81 PolarHBondContact O-N 2.95Å; R78-L82 VanDerWaalsContact O-CB 3.28Å; R78-L82 WeakPolarHBondContact O-CB 3.14Å; R78-L82 PolarHBondContact O-N 3.43Å; R78-A298 VanDerWaalsContact CD-O 3.27Å; R78-A298 WeakPolarHBondContact CD-O 3.38Å; R78-A298 PolarHBondContact NH1-O 2.95Å; R78-L301 HydrophobicContact CB-CB 3.85Å; R78-L301 HydrophobicContact CB-CD1 4.06Å
79	A	98.9	Very high	98.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-46	179.9	0	0	0	0	0	111.5	C75 K76 K77 F83 V92 M246 F248 L301	C75-A79 WeakPolarHBondContact O-CB 3.49Å; C75-A79 PolarHBondContact O-N 3.43Å; K76-A79 PolarHBondContact O-N 2.82Å; K77-A79 VanDerWaalsContact C-N 3.31Å; K77-A79 PolarHBondContact O-N 2.98Å; A79-F83 VanDerWaalsContact O-CD2 3.32Å; A79-F83 WeakPolarHBondContact O-CD2 3.49Å; A79-V92 HydrophobicContact CB-CG1 4.19Å; A79-V92 HydrophobicContact CB-CG2 4.28Å; A79-M246 HydrophobicContact CB-SD 3.74Å; A79-F248 HydrophobicContact CB-CE1 3.91Å; A79-F248 HydrophobicContact CB-CZ 3.99Å; A79-L301 HydrophobicContact CB-CD1 3.77Å
80	L	98.9	Very high	98.1	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-45.6	176.2	-64	174.1	0	0	0	111.3	K76 K77 L82 F83 G84 L85 E87 W90 V92 F248	K76-L80 WeakPolarHBondContact O-CG 3.35Å; K76-L80 PolarHBondContact O-N 3.46Å; K77-L80 PolarHBondContact O-N 3.18Å; L80-L82 PolarHBondContact O-N 3.24Å; L80-F83 PolarHBondContact O-N 2.96Å; L80-G84 PolarHBondContact O-N 2.96Å; L80-L85 HydrophobicContact CB-CB 4.35Å; L80-L85 HydrophobicContact CD2-CB 4.12Å; L80-L85 HydrophobicContact CD2-CD1 3.99Å; L80-L85 PolarHBondContact O-N 3.33Å; L80-E87 HydrophobicContact CD1-CB 4.18Å; L80-E87 HydrophobicContact CD1-CG 3.76Å; L80-W90 HydrophobicContact CD2-CB 3.99Å; L80-V92 HydrophobicContact CD1-CG1 4.36Å; L80-V92 HydrophobicContact CD2-CB 4.14Å; L80-V92 HydrophobicContact CD2-CG1 4.08Å; L80-V92 HydrophobicContact CG-CG1 3.91Å; L80-F248 HydrophobicContact CD2-CD1 4.08Å; L80-F248 HydrophobicContact CD2-CE1 4.36Å
81	A	98.7	Very high	98	Very high	71 Å²	71	46.4 Å²	46.4	59%	0.587	26%	0.262	S	S	*	.	H	α-helix	trans	-62.2	-40.7	179.2	0	0	0	0	0	113.1	K77 R78 F83 G84	K77-A81 VanDerWaalsContact O-CB 3.27Å; K77-A81 WeakPolarHBondContact O-CB 3.32Å; K77-A81 PolarHBondContact O-N 3.34Å; R78-A81 PolarHBondContact O-N 2.95Å; A81-F83 PolarHBondContact O-N 3.19Å; A81-G84 PolarHBondContact O-N 3.43Å; A81-G84 VanDerWaalsContact O-N 3.08Å
82	L	98.7	Very high	98	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-37.6	180	-179.2	66	0	0	0	112.3	R78 L80 A217 L301 A304 A305	R78-L82 VanDerWaalsContact O-CB 3.28Å; R78-L82 WeakPolarHBondContact O-CB 3.14Å; R78-L82 PolarHBondContact O-N 3.43Å; L80-L82 PolarHBondContact O-N 3.24Å; L82-A217 HydrophobicContact CD1-CB 3.97Å; L82-A217 HydrophobicContact CD2-CB 3.88Å; L82-A217 HydrophobicContact CG-CB 3.81Å; L82-L301 HydrophobicContact CD2-CD2 3.47Å; L82-L301 VanDerWaalsContact CD2-CD2 3.47Å; L82-A304 VanDerWaalsContact CD1-C 3.46Å; L82-A304 HydrophobicContact CD1-CB 3.76Å; L82-A304 HydrophobicContact CD2-CB 3.79Å; L82-A304 HydrophobicContact CG-CB 4.45Å; L82-A305 HydrophobicContact CD1-CB 3.93Å
83	F	98.6	Very high	98.1	Very high	21 Å²	21	45.9 Å²	45.9	9%	0.092	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	9.6	-179	-64.2	-67.6	0	0	0	113.3	A79 L80 A81 L85 M209 V216 A217 F225 I239 M246 F248	A79-F83 VanDerWaalsContact O-CD2 3.32Å; A79-F83 WeakPolarHBondContact O-CD2 3.49Å; L80-F83 PolarHBondContact O-N 2.96Å; A81-F83 PolarHBondContact O-N 3.19Å; F83-L85 VanDerWaalsContact C-N 3.33Å; F83-L85 HydrophobicContact CB-CD1 3.99Å; F83-L85 HydrophobicContact CB-CD2 4.32Å; F83-L85 HydrophobicContact CB-CG 3.84Å; F83-L85 PolarHBondContact O-N 3.08Å; F83-M209 HydrophobicContact CD1-CE 4.39Å; F83-M209 HydrophobicContact CD2-CE 4.4Å; F83-M209 HydrophobicContact CE1-CE 3.76Å; F83-M209 HydrophobicContact CE1-SD 4.36Å; F83-M209 HydrophobicContact CE2-CE 3.8Å; F83-M209 HydrophobicContact CZ-CE 3.43Å; F83-M209 VanDerWaalsContact CZ-CE 3.43Å; F83-V216 HydrophobicContact CD1-CG1 3.91Å; F83-V216 HydrophobicContact CE1-CB 4.27Å; F83-V216 HydrophobicContact CE1-CG1 3.98Å; F83-A217 HydrophobicContact CD1-CB 4.4Å; F83-A217 HydrophobicContact CE1-CB 3.75Å; F83-A217 HydrophobicContact CZ-CB 4.23Å; F83-F225 HydrophobicContact CB-CD2 4.17Å; F83-F225 HydrophobicContact CB-CE2 3.7Å; F83-F225 HydrophobicContact CB-CZ 4.03Å; F83-F225 HydrophobicContact CD1-CD2 4.48Å; F83-F225 AromaticContact CD1-CE2 3.67Å; F83-F225 HydrophobicContact CD1-CE2 3.67Å; F83-F225 HydrophobicContact CD1-CZ 4.37Å; F83-F225 HydrophobicContact CD2-CE2 4.15Å; F83-F225 HydrophobicContact CD2-CZ 4.04Å; F83-F225 HydrophobicContact CE1-CE2 4.32Å; F83-F225 HydrophobicContact CG-CD2 4.44Å; F83-F225 AromaticContact CG-CE2 3.56Å; F83-F225 HydrophobicContact CG-CE2 3.56Å; F83-F225 AromaticContact CG-CZ 3.89Å; F83-F225 HydrophobicContact CG-CZ 3.89Å; F83-I239 HydrophobicContact CZ-CD1 4.38Å; F83-M246 HydrophobicContact CE2-CE 4.32Å; F83-F248 AromaticContact CD2-CE1 3.99Å; F83-F248 HydrophobicContact CD2-CE1 3.99Å; F83-F248 HydrophobicContact CD2-CE2 4.22Å; F83-F248 AromaticContact CD2-CZ 3.58Å; F83-F248 HydrophobicContact CD2-CZ 3.58Å; F83-F248 HydrophobicContact CE2-CE1 4.46Å; F83-F248 HydrophobicContact CE2-CE2 4.02Å; F83-F248 AromaticContact CE2-CZ 3.61Å; F83-F248 HydrophobicContact CE2-CZ 3.61Å
84	G	98	Very high	98.1	Very high	70 Å²	70	42.6 Å²	42.6	72%	0.722	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	35.9	178.6	0	0	0	0	0	113.5	L80 A81	L80-G84 PolarHBondContact O-N 2.96Å; A81-G84 PolarHBondContact O-N 3.43Å; A81-G84 VanDerWaalsContact O-N 3.08Å
85	L	98.3	Very high	98.1	Very high	20 Å²	20	39.2 Å²	39.2	11%	0.105	22%	0.222	C	C	.	.			trans	-96.1	132.1	-175.2	-52	177.2	0	0	0	111.1	L80 F83 W90 F225 F248	L80-L85 HydrophobicContact CB-CB 4.35Å; L80-L85 HydrophobicContact CD2-CB 4.12Å; L80-L85 HydrophobicContact CD2-CD1 3.99Å; L80-L85 PolarHBondContact O-N 3.33Å; F83-L85 VanDerWaalsContact C-N 3.33Å; F83-L85 HydrophobicContact CB-CD1 3.99Å; F83-L85 HydrophobicContact CB-CD2 4.32Å; F83-L85 HydrophobicContact CB-CG 3.84Å; F83-L85 PolarHBondContact O-N 3.08Å; L85-W90 HydrophobicContact CB-CB 3.99Å; L85-W90 HydrophobicContact CB-CG 4.07Å; L85-W90 HydrophobicContact CD1-CB 4.29Å; L85-W90 HydrophobicContact CD1-CD2 4.32Å; L85-W90 HydrophobicContact CD1-CG 4.21Å; L85-W90 HydrophobicContact CD2-CD2 4.47Å; L85-W90 HydrophobicContact CD2-CG 4.35Å; L85-W90 HydrophobicContact CG-CG 4.43Å; L85-F225 HydrophobicContact CD1-CD1 3.6Å; L85-F225 HydrophobicContact CD1-CE1 3.37Å; L85-F225 HydrophobicContact CD1-CG 4.33Å; L85-F225 HydrophobicContact CD1-CZ 3.93Å; L85-F225 HydrophobicContact CD2-CB 3.74Å; L85-F225 HydrophobicContact CD2-CD1 3.55Å; L85-F225 HydrophobicContact CD2-CD2 4.28Å; L85-F225 HydrophobicContact CD2-CE1 4.19Å; L85-F225 HydrophobicContact CD2-CG 3.61Å; L85-F225 HydrophobicContact CG-CD1 4.21Å; L85-F225 HydrophobicContact CG-CE1 4.37Å; L85-F248 HydrophobicContact CD1-CD1 3.72Å; L85-F248 HydrophobicContact CD1-CE1 4.15Å; L85-F248 HydrophobicContact CD1-CG 4.47Å
86	D	96.3	Very high	98.1	Very high	93 Å²	93	39.4 Å²	39.4	50%	0.497	22%	0.223	S	C	.	.			trans	-70.3	126.8	171.7	-168	-48	0	0	0	110.2	S88 E89 W90	D86-S88 VanDerWaalsContact CG-OG 3.28Å; D86-S88 PolarHBondContact O-N 3.31Å; D86-S88 VanDerWaalsContact OD1-CB 3.27Å; D86-S88 WeakPolarHBondContact OD1-CB 3.3Å; D86-S88 PolarHBondContact OD1-N 2.95Å; D86-S88 PolarHBondContact OD1-OG 3.48Å; D86-E89 HydrophobicContact CB-CB 4.32Å; D86-E89 HydrophobicContact CB-CG 4.31Å; D86-E89 PolarHBondContact O-N 3.09Å; D86-E89 VanDerWaalsContact O-N 3.09Å; D86-W90 PolarHBondContact O-N 3.47Å
87	E	96.7	Very high	98	Very high	104 Å²	104	41.2 Å²	41.2	49%	0.486	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.4	-178.1	-53.5	-169.9	165.3	0	0	113.4	L80 W90 K251	L80-E87 HydrophobicContact CD1-CB 4.18Å; L80-E87 HydrophobicContact CD1-CG 3.76Å; E87-W90 CarbonylContact C-O 3.43Å; E87-W90 VanDerWaalsContact O-O 3.11Å; E87-K251 PolarHBondContact O-NZ 3.4Å
88	S	94.1	Very high	98	Very high	75 Å²	75	37.1 Å²	37.1	52%	0.524	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-30.1	173.2	70.9	0	0	0	0	112.4	D86	D86-S88 VanDerWaalsContact CG-OG 3.28Å; D86-S88 PolarHBondContact O-N 3.31Å; D86-S88 VanDerWaalsContact OD1-CB 3.27Å; D86-S88 WeakPolarHBondContact OD1-CB 3.3Å; D86-S88 PolarHBondContact OD1-N 2.95Å; D86-S88 PolarHBondContact OD1-OG 3.48Å
89	E	94.8	Very high	98	Very high	88 Å²	88	34 Å²	34	41%	0.411	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-27.2	179.1	-67.3	-165.2	-178.7	0	0	113.4	D86 R250 K251	D86-E89 HydrophobicContact CB-CB 4.32Å; D86-E89 HydrophobicContact CB-CG 4.31Å; D86-E89 PolarHBondContact O-N 3.09Å; D86-E89 VanDerWaalsContact O-N 3.09Å; E89-R250 CarbonylContact O-C 3.58Å; E89-R250 WeakPolarHBondContact O-CA 3.3Å; E89-R250 IonicContact OE2-NH1 3.88Å; E89-K251 PolarHBondContact O-N 3.49Å
90	W	97.8	Very high	98	Very high	6 Å²	6	36.8 Å²	36.8	2%	0.023	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.5	-174.2	-72.4	88	0	0	0	112	L80 L85 D86 E87 F225 V231 F248 Y249 R250 K251	L80-W90 HydrophobicContact CD2-CB 3.99Å; L85-W90 HydrophobicContact CB-CB 3.99Å; L85-W90 HydrophobicContact CB-CG 4.07Å; L85-W90 HydrophobicContact CD1-CB 4.29Å; L85-W90 HydrophobicContact CD1-CD2 4.32Å; L85-W90 HydrophobicContact CD1-CG 4.21Å; L85-W90 HydrophobicContact CD2-CD2 4.47Å; L85-W90 HydrophobicContact CD2-CG 4.35Å; L85-W90 HydrophobicContact CG-CG 4.43Å; D86-W90 PolarHBondContact O-N 3.47Å; E87-W90 CarbonylContact C-O 3.43Å; E87-W90 VanDerWaalsContact O-O 3.11Å; W90-F225 HydrophobicContact CD2-CD1 4.38Å; W90-F225 HydrophobicContact CE3-CD1 4.18Å; W90-F225 HydrophobicContact CE3-CE1 4.44Å; W90-F225 AromaticContact CH2-CD1 3.83Å; W90-F225 HydrophobicContact CH2-CD1 3.83Å; W90-F225 HydrophobicContact CZ2-CB 4.27Å; W90-F225 HydrophobicContact CZ2-CD1 4.01Å; W90-F225 VanDerWaalsContact CZ2-O 3.28Å; W90-F225 WeakPolarHBondContact CZ2-O 3.45Å; W90-F225 AromaticContact CZ3-CD1 3.91Å; W90-F225 HydrophobicContact CZ3-CD1 3.91Å; W90-F225 HydrophobicContact CZ3-CE1 4.28Å; W90-V231 HydrophobicContact CH2-CG2 4.29Å; W90-V231 HydrophobicContact CZ3-CG2 4.38Å; W90-F248 HydrophobicContact CE3-CB 4.07Å; W90-F248 HydrophobicContact CZ3-CB 4.18Å; W90-Y249 WeakPolarHBondContact CA-O 3.49Å; W90-R250 HydrophobicContact CD2-CG 4.1Å; W90-R250 HydrophobicContact CE3-CG 4.18Å; W90-R250 HydrophobicContact CH2-CG 3.55Å; W90-R250 HydrophobicContact CZ2-CG 3.45Å; W90-R250 VanDerWaalsContact CZ2-CG 3.45Å; W90-R250 VanDerWaalsContact CZ2-CZ 3.43Å; W90-R250 VanDerWaalsContact CZ2-NE 3.34Å; W90-R250 HydrophobicContact CZ3-CG 3.92Å; W90-K251 WeakPolarHBondContact O-CE 3.39Å; W90-K251 PolarHBondContact O-NZ 3.42Å
91	G	98.4	Very high	98	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	169.1	164.1	0	0	0	0	0	111	F248 Y249	G91-F248 VanDerWaalsContact O-CA 3.32Å; G91-F248 WeakPolarHBondContact O-CA 3.33Å; G91-Y249 VanDerWaalsContact CA-CE2 3.45Å; G91-Y249 PolarHBondContact N-O 2.84Å; G91-Y249 PolarHBondContact O-N 2.96Å
92	V	98.9	Very high	98	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.024	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	133.9	177.3	63.2	0	0	0	0	110.8	K76 A79 L80 V94 M246 I247 F248	K76-V92 HydrophobicContact CB-CG1 3.81Å; K76-V92 HydrophobicContact CG-CG1 3.97Å; A79-V92 HydrophobicContact CB-CG1 4.19Å; A79-V92 HydrophobicContact CB-CG2 4.28Å; L80-V92 HydrophobicContact CD1-CG1 4.36Å; L80-V92 HydrophobicContact CD2-CB 4.14Å; L80-V92 HydrophobicContact CD2-CG1 4.08Å; L80-V92 HydrophobicContact CG-CG1 3.91Å; V92-V94 HydrophobicContact CG1-CG1 4.37Å; V92-V94 HydrophobicContact CG2-CG1 3.98Å; V92-M246 HydrophobicContact CG2-CB 4.11Å; V92-I247 CarbonylContact C-O 3.59Å; V92-I247 VanDerWaalsContact CA-O 3.31Å; V92-I247 WeakPolarHBondContact CA-O 2.99Å; V92-F248 HydrophobicContact CB-CD1 3.72Å; V92-F248 HydrophobicContact CB-CE1 3.92Å; V92-F248 HydrophobicContact CB-CG 4.4Å; V92-F248 HydrophobicContact CG2-CD1 3.63Å; V92-F248 HydrophobicContact CG2-CD2 4.41Å; V92-F248 HydrophobicContact CG2-CE1 3.57Å; V92-F248 HydrophobicContact CG2-CE2 4.36Å; V92-F248 HydrophobicContact CG2-CG 4.06Å; V92-F248 HydrophobicContact CG2-CZ 3.95Å
93	N	98.9	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.2	165.7	-167.3	-40.7	0	0	0	109	Q95 P96 M246 I247 Y249 N278	N93-Q95 WeakPolarHBondContact OD1-CB 3.37Å; N93-Q95 PolarHBondContact OD1-N 3.32Å; N93-P96 WeakPolarHBondContact OD1-CD 3.17Å; N93-M246 WeakPolarHBondContact O-CA 3.16Å; N93-I247 HydrophobicContact CB-CB 4.49Å; N93-I247 PolarHBondContact N-O 3.08Å; N93-I247 PolarHBondContact O-N 3.35Å; N93-Y249 HydrophobicContact CB-CE1 4.25Å; N93-N278 PolarHBondContact ND2-OD1 3.38Å
94	V	98.9	Very high	98.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	21%	0.21	C	C	.	.			trans	-108.2	7.3	-176.3	-61	0	0	0	0	112.8	E72 C75 K76 V92 P96 M246 I294	E72-V94 HydrophobicContact CG-CG2 3.82Å; C75-V94 HydrophobicContact CB-CG2 4.47Å; K76-V94 HydrophobicContact CG-CG1 4.09Å; K76-V94 HydrophobicContact CG-CG2 4.04Å; V92-V94 HydrophobicContact CG1-CG1 4.37Å; V92-V94 HydrophobicContact CG2-CG1 3.98Å; V94-P96 VanDerWaalsContact C-CD 3.5Å; V94-M246 HydrophobicContact CG1-CG 4.19Å; V94-M246 HydrophobicContact CG1-SD 4.39Å; V94-I294 HydrophobicContact CG2-CD1 4.46Å; V94-I294 HydrophobicContact CG2-CG2 3.79Å
95	Q	98.9	Very high	98.1	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.023	18%	0.177	C	C	.	.			trans	-90.1	-15.8	-176.8	-56.1	-175.8	3.2	0	0	116.2	G55 E72 N93 Y97 V281 Q286 P289 I294	G55-Q95 PolarHBondContact O-NE2 3.46Å; E72-Q95 PolarHBondContact OE1-NE2 2.87Å; E72-Q95 PolarHBondContact OE2-NE2 3.09Å; N93-Q95 WeakPolarHBondContact OD1-CB 3.37Å; N93-Q95 PolarHBondContact OD1-N 3.32Å; Q95-Y97 PolarHBondContact O-N 3.01Å; Q95-V281 HydrophobicContact CB-CG1 4.19Å; Q95-Q286 PolarHBondContact O-NE2 3.04Å; Q95-P289 HydrophobicContact CB-CB 4.23Å; Q95-P289 HydrophobicContact CG-CB 3.97Å; Q95-I294 HydrophobicContact CG-CD1 4.1Å
96	P	98.9	Very high	98.1	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.026	17%	0.172	C	C	.	.			trans	-58.3	130.8	178.8	-26.8	35.4	0	0	0	112.8	N93 V94 S98 A102 A245 I247 V281	N93-P96 WeakPolarHBondContact OD1-CD 3.17Å; V94-P96 VanDerWaalsContact C-CD 3.5Å; P96-S98 PolarHBondContact O-N 2.56Å; P96-A102 HydrophobicContact CB-CB 3.61Å; P96-A102 HydrophobicContact CG-CB 4.07Å; P96-A245 HydrophobicContact CB-CB 4.2Å; P96-A245 PolarHBondContact O-N 3.03Å; P96-I247 HydrophobicContact CG-CD1 3.54Å; P96-I247 HydrophobicContact CG-CG1 3.9Å; P96-V281 HydrophobicContact CG-CG2 4.16Å
97	Y	98.8	Very high	98.2	Very high	77 Å²	77	26.8 Å²	26.8	30%	0.302	15%	0.148	S	C	.	.	S	Bend	trans	-66.1	-25.8	-173.8	-59.2	-33.4	0	0	0	113.9	Q95 Q286 G288 H290	Q95-Y97 PolarHBondContact O-N 3.01Å; Y97-Q286 HydrophobicContact CD2-CG 4.06Å; Y97-Q286 HydrophobicContact CE2-CB 3.92Å; Y97-Q286 HydrophobicContact CE2-CG 3.74Å; Y97-G288 PolarHBondContact OH-O 2.83Å; Y97-H290 AromaticContact CD1-CD2 3.93Å; Y97-H290 AromaticContact CD1-CG 4Å; Y97-H290 AromaticContact CE1-CD2 3.45Å; Y97-H290 VanDerWaalsContact CE1-CD2 3.45Å; Y97-H290 WeakPolarHBondContact CE1-CD2 3.32Å; Y97-H290 AromaticContact CE1-CG 3.95Å; Y97-H290 AromaticContact CE1-NE2 3.68Å; Y97-H290 AromaticContact CZ-NE2 3.92Å
98	S	98.8	Very high	98.3	Very high	40 Å²	40	24.3 Å²	24.3	28%	0.28	14%	0.14	S	C	.	.	S	Bend	trans	-166.9	178.8	176.8	-166.2	0	0	0	0	110.7	P96 S100 P101 A102 A245	P96-S98 PolarHBondContact O-N 2.56Å; S98-S100 PolarHBondContact O-N 2.99Å; S98-P101 VanDerWaalsContact O-CD 3.27Å; S98-P101 WeakPolarHBondContact O-CD 3.32Å; S98-P101 VanDerWaalsContact O-CG 3.28Å; S98-P101 WeakPolarHBondContact O-CG 3.29Å; S98-A102 VanDerWaalsContact O-CB 3.32Å; S98-A102 WeakPolarHBondContact O-CB 3.35Å; S98-A102 PolarHBondContact O-N 3.41Å; S98-A245 WeakPolarHBondContact O-CB 3.3Å
99	G	98.8	Very high	98.5	Very high	5 Å²	5	21.3 Å²	21.3	5%	0.052	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-40.5	-176.2	0	0	0	0	0	114	A102 N103	G99-A102 WeakPolarHBondContact O-CB 3.47Å; G99-A102 PolarHBondContact O-N 3.29Å; G99-N103 PolarHBondContact O-N 3.25Å
100	S	98.8	Very high	98.7	Very high	57 Å²	57	17.7 Å²	17.7	40%	0.399	10%	0.104	S	C	.	.	H	α-helix	trans	-62.1	-52.4	178.3	-54.9	0	0	0	0	113.7	S98 A102 N103 F104 T129	S98-S100 PolarHBondContact O-N 2.99Å; S100-A102 VanDerWaalsContact C-N 3.27Å; S100-A102 PolarHBondContact O-N 2.9Å; S100-N103 PolarHBondContact O-N 2.99Å; S100-F104 PolarHBondContact O-N 2.83Å; S100-T129 VanDerWaalsContact OG-CG2 3.31Å; S100-T129 WeakPolarHBondContact OG-CG2 3.34Å
101	P	98.8	Very high	98.7	Very high	48 Å²	48	17.6 Å²	17.6	31%	0.312	10%	0.104	S	C	.	.	H	α-helix	trans	-65.6	-29.2	174.3	24.4	-32.5	0	0	0	112.5	S98 F104 A105	S98-P101 VanDerWaalsContact O-CD 3.27Å; S98-P101 WeakPolarHBondContact O-CD 3.32Å; S98-P101 VanDerWaalsContact O-CG 3.28Å; S98-P101 WeakPolarHBondContact O-CG 3.29Å; P101-F104 PolarHBondContact O-N 3.33Å; P101-A105 WeakPolarHBondContact O-CB 3.49Å; P101-A105 PolarHBondContact O-N 2.95Å
102	A	98.9	Very high	98.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.1	-50.9	174	0	0	0	0	0	112.1	P96 S98 G99 S100 F104 A105 I106 M232 A245 I247	P96-A102 HydrophobicContact CB-CB 3.61Å; P96-A102 HydrophobicContact CG-CB 4.07Å; S98-A102 VanDerWaalsContact O-CB 3.32Å; S98-A102 WeakPolarHBondContact O-CB 3.35Å; S98-A102 PolarHBondContact O-N 3.41Å; G99-A102 WeakPolarHBondContact O-CB 3.47Å; G99-A102 PolarHBondContact O-N 3.29Å; S100-A102 VanDerWaalsContact C-N 3.27Å; S100-A102 PolarHBondContact O-N 2.9Å; A102-F104 VanDerWaalsContact C-N 3.31Å; A102-F104 PolarHBondContact O-N 2.96Å; A102-A105 PolarHBondContact O-N 3.32Å; A102-I106 WeakPolarHBondContact O-CG1 3.36Å; A102-I106 PolarHBondContact O-N 3.49Å; A102-I106 VanDerWaalsContact O-N 3.09Å; A102-M232 HydrophobicContact CB-CG 3.7Å; A102-M232 HydrophobicContact CB-SD 4.03Å; A102-A245 HydrophobicContact CB-CB 3.77Å; A102-I247 HydrophobicContact CB-CD1 4.08Å; A102-I247 HydrophobicContact CB-CG1 3.93Å
103	N	98.9	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-44.4	174.1	-85.6	-18.3	0	0	0	111.4	G99 S100 A105 I106 Y107 T129 D208 M232	G99-N103 PolarHBondContact O-N 3.25Å; S100-N103 PolarHBondContact O-N 2.99Å; N103-A105 VanDerWaalsContact C-N 3.33Å; N103-A105 PolarHBondContact O-N 3.45Å; N103-I106 WeakPolarHBondContact O-CB 3.16Å; N103-I106 PolarHBondContact O-N 3.18Å; N103-Y107 HydrophobicContact CB-CE2 3.93Å; N103-Y107 WeakPolarHBondContact O-CD1 3.47Å; N103-Y107 WeakPolarHBondContact O-CD2 3.41Å; N103-Y107 WeakPolarHBondContact O-CE2 3.31Å; N103-Y107 PolarHBondContact O-N 3.03Å; N103-T129 PolarHBondContact ND2-OG1 3.48Å; N103-D208 PolarHBondContact ND2-OD2 2.96Å; N103-M232 HydrophobicContact CB-CE 4.4Å; N103-M232 WeakPolarHBondContact ND2-CE 3.11Å; N103-M232 WeakPolarHBondContact OD1-CE 3.27Å
104	F	98.8	Very high	98.4	Very high	42 Å²	42	29.5 Å²	29.5	18%	0.184	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-38.5	179.4	-159.6	-96.5	0	0	0	112.5	S100 P101 A102 Y107 T108 A142 F146 F147 L285	S100-F104 PolarHBondContact O-N 2.83Å; P101-F104 PolarHBondContact O-N 3.33Å; A102-F104 VanDerWaalsContact C-N 3.31Å; A102-F104 PolarHBondContact O-N 2.96Å; F104-Y107 PolarHBondContact O-N 3.49Å; F104-T108 WeakPolarHBondContact O-CB 3.36Å; F104-T108 PolarHBondContact O-N 2.84Å; F104-T108 PolarHBondContact O-OG1 3.01Å; F104-T108 VanDerWaalsContact O-OG1 3.05Å; F104-A142 HydrophobicContact CD2-CB 4.45Å; F104-A142 HydrophobicContact CE2-CB 4.03Å; F104-F146 HydrophobicContact CE2-CB 4.44Å; F104-F146 AromaticContact CE2-CD2 3.76Å; F104-F146 HydrophobicContact CE2-CD2 3.76Å; F104-F146 HydrophobicContact CE2-CG 4.44Å; F104-F146 HydrophobicContact CZ-CB 4.24Å; F104-F146 AromaticContact CZ-CD2 3.49Å; F104-F146 HydrophobicContact CZ-CD2 3.49Å; F104-F146 VanDerWaalsContact CZ-CD2 3.49Å; F104-F146 HydrophobicContact CZ-CE2 4.07Å; F104-F146 HydrophobicContact CZ-CG 4Å; F104-F147 HydrophobicContact CD2-CE2 4.15Å; F104-F147 AromaticContact CE2-CE2 3.74Å; F104-F147 HydrophobicContact CE2-CE2 3.74Å; F104-F147 HydrophobicContact CZ-CE2 4.14Å; F104-L285 HydrophobicContact CD1-CD1 3.9Å; F104-L285 HydrophobicContact CD1-CD2 4.07Å; F104-L285 HydrophobicContact CE1-CD2 4.07Å
105	A	98.9	Very high	98.4	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-40.2	173.9	0	0	0	0	0	112.6	P101 A102 N103 Y107 T108 G109 I247 A280 V281 L285	P101-A105 WeakPolarHBondContact O-CB 3.49Å; P101-A105 PolarHBondContact O-N 2.95Å; A102-A105 PolarHBondContact O-N 3.32Å; N103-A105 VanDerWaalsContact C-N 3.33Å; N103-A105 PolarHBondContact O-N 3.45Å; A105-Y107 VanDerWaalsContact C-N 3.34Å; A105-Y107 PolarHBondContact O-N 2.87Å; A105-T108 PolarHBondContact O-N 3Å; A105-G109 PolarHBondContact O-N 3.29Å; A105-I247 HydrophobicContact CB-CD1 4.36Å; A105-A280 VanDerWaalsContact O-CB 3.27Å; A105-A280 WeakPolarHBondContact O-CB 3.33Å; A105-V281 HydrophobicContact CB-CG2 3.76Å; A105-L285 VanDerWaalsContact CA-CD1 3.45Å; A105-L285 HydrophobicContact CB-CD1 3.77Å
106	I	98.9	Very high	98.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-46.3	174.1	-63.8	163.8	0	0	0	110.3	A102 N103 G109 L110 L177 L206 V230 M232 I247	A102-I106 WeakPolarHBondContact O-CG1 3.36Å; A102-I106 PolarHBondContact O-N 3.49Å; A102-I106 VanDerWaalsContact O-N 3.09Å; N103-I106 WeakPolarHBondContact O-CB 3.16Å; N103-I106 PolarHBondContact O-N 3.18Å; I106-G109 PolarHBondContact O-N 3.49Å; I106-L110 HydrophobicContact CG2-CD1 3.99Å; I106-L110 HydrophobicContact CG2-CG 4.41Å; I106-L110 VanDerWaalsContact O-CB 3.29Å; I106-L110 WeakPolarHBondContact O-CB 3.38Å; I106-L110 WeakPolarHBondContact O-CG 2.97Å; I106-L110 PolarHBondContact O-N 3.38Å; I106-L177 HydrophobicContact CG2-CD1 4.08Å; I106-L206 HydrophobicContact CD1-CD1 3.73Å; I106-L206 HydrophobicContact CD1-CD2 4.19Å; I106-L206 HydrophobicContact CG2-CD2 4.21Å; I106-V230 HydrophobicContact CD1-CG1 3.81Å; I106-V230 HydrophobicContact CG1-CG1 4.12Å; I106-V230 HydrophobicContact CG2-CG1 4.17Å; I106-M232 HydrophobicContact CD1-CB 3.77Å; I106-M232 HydrophobicContact CD1-CG 4.05Å; I106-I247 HydrophobicContact CD1-CD1 4.4Å; I106-I247 HydrophobicContact CD1-CG1 4.09Å; I106-I247 HydrophobicContact CD1-CG2 3.74Å; I106-I247 HydrophobicContact CG1-CD1 4Å; I106-I247 HydrophobicContact CG1-CG1 4.19Å; I106-I247 HydrophobicContact CG1-CG2 3.7Å
107	Y	98.8	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-43.6	179.9	-50.3	-34.5	0	0	0	112.1	N103 F104 A105 G109 L110 V111 G112 I117 T129 T143 F147 L177 V179 L206	N103-Y107 HydrophobicContact CB-CE2 3.93Å; N103-Y107 WeakPolarHBondContact O-CD1 3.47Å; N103-Y107 WeakPolarHBondContact O-CD2 3.41Å; N103-Y107 WeakPolarHBondContact O-CE2 3.31Å; N103-Y107 PolarHBondContact O-N 3.03Å; F104-Y107 PolarHBondContact O-N 3.49Å; A105-Y107 VanDerWaalsContact C-N 3.34Å; A105-Y107 PolarHBondContact O-N 2.87Å; Y107-G109 VanDerWaalsContact C-N 3.33Å; Y107-G109 PolarHBondContact O-N 2.97Å; Y107-L110 PolarHBondContact O-N 3.29Å; Y107-V111 WeakPolarHBondContact O-CA 3.31Å; Y107-V111 VanDerWaalsContact O-CB 3.24Å; Y107-V111 WeakPolarHBondContact O-CB 3.33Å; Y107-V111 PolarHBondContact O-N 2.75Å; Y107-G112 PolarHBondContact O-N 2.89Å; Y107-I117 HydrophobicContact CD1-CD1 3.7Å; Y107-I117 HydrophobicContact CD2-CD1 4.01Å; Y107-I117 HydrophobicContact CE1-CD1 4.16Å; Y107-I117 HydrophobicContact CE2-CD1 4.46Å; Y107-I117 HydrophobicContact CG-CD1 3.62Å; Y107-T129 WeakPolarHBondContact CE2-O 3.4Å; Y107-T129 PolarHBondContact OH-O 3.11Å; Y107-T143 HydrophobicContact CD2-CG2 4Å; Y107-T143 HydrophobicContact CE2-CG2 3.76Å; Y107-F147 VanDerWaalsContact CB-CE2 3.44Å; Y107-F147 HydrophobicContact CD2-CD2 4.34Å; Y107-F147 HydrophobicContact CD2-CE2 4.09Å; Y107-F147 HydrophobicContact CG-CE2 4.23Å; Y107-F147 HydrophobicContact CG-CZ 4.5Å; Y107-L177 HydrophobicContact CD1-CD1 4.19Å; Y107-L177 HydrophobicContact CD1-CD2 4.3Å; Y107-L177 HydrophobicContact CE1-CD1 4.44Å; Y107-L177 HydrophobicContact CE1-CD2 3.9Å; Y107-V179 HydrophobicContact CE1-CG2 4.35Å; Y107-L206 HydrophobicContact CE1-CD2 3.7Å
108	T	98.7	Very high	98.4	Very high	53 Å²	53	31 Å²	31	33%	0.325	18%	0.175	S	C	.	.	H	α-helix	trans	-58.7	-46.4	175.6	-64.4	0	0	0	0	111.1	F104 A105 A280	F104-T108 WeakPolarHBondContact O-CB 3.36Å; F104-T108 PolarHBondContact O-N 2.84Å; F104-T108 PolarHBondContact O-OG1 3.01Å; F104-T108 VanDerWaalsContact O-OG1 3.05Å; A105-T108 PolarHBondContact O-N 3Å; T108-A280 HydrophobicContact CG2-CB 4.28Å
109	G	98.2	Very high	98.3	Very high	12 Å²	12	29.2 Å²	29.2	12%	0.124	16%	0.164	C	C	.	.	H	α-helix	trans	-68.8	-46.2	179.6	0	0	0	0	0	113.2	A105 I106 Y107 R276	A105-G109 PolarHBondContact O-N 3.29Å; I106-G109 PolarHBondContact O-N 3.49Å; Y107-G109 VanDerWaalsContact C-N 3.33Å; Y107-G109 PolarHBondContact O-N 2.97Å; G109-R276 PolarHBondContact O-NE 2.87Å; G109-R276 PolarHBondContact O-NH2 3.25Å
110	L	97.9	Very high	98.3	Very high	11 Å²	11	29 Å²	29	6%	0.058	16%	0.161	C	C	.	.	H	α-helix	trans	-101.7	-29.5	-166.1	-58.2	-169.6	0	0	0	115.1	I106 Y107 V204 V230 F273 R276 I277	I106-L110 HydrophobicContact CG2-CD1 3.99Å; I106-L110 HydrophobicContact CG2-CG 4.41Å; I106-L110 VanDerWaalsContact O-CB 3.29Å; I106-L110 WeakPolarHBondContact O-CB 3.38Å; I106-L110 WeakPolarHBondContact O-CG 2.97Å; I106-L110 PolarHBondContact O-N 3.38Å; Y107-L110 PolarHBondContact O-N 3.29Å; L110-V204 HydrophobicContact CD1-CG1 4.11Å; L110-V230 HydrophobicContact CD1-CG2 3.64Å; L110-F273 HydrophobicContact CD1-CD1 4.16Å; L110-F273 HydrophobicContact CD1-CE1 4.39Å; L110-F273 HydrophobicContact CD2-CD1 3.62Å; L110-F273 HydrophobicContact CD2-CE1 4.22Å; L110-F273 HydrophobicContact CD2-CG 4.44Å; L110-R276 VanDerWaalsContact C-NH2 3.32Å; L110-R276 VanDerWaalsContact CA-NH2 3.27Å; L110-R276 HydrophobicContact CD2-CB 4.03Å; L110-R276 PolarHBondContact O-NH2 3.36Å; L110-I277 HydrophobicContact CD1-CD1 4.21Å; L110-I277 HydrophobicContact CD1-CG1 4.39Å; L110-I277 HydrophobicContact CD2-CG1 4.21Å; L110-I277 HydrophobicContact CG-CG1 4.24Å
111	V	98.1	Very high	98.2	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.024	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-44	-173.4	179	0	0	0	0	111.3	Y107 G115 I117 F147 K176 L177	Y107-V111 WeakPolarHBondContact O-CA 3.31Å; Y107-V111 VanDerWaalsContact O-CB 3.24Å; Y107-V111 WeakPolarHBondContact O-CB 3.33Å; Y107-V111 PolarHBondContact O-N 2.75Å; V111-G115 VanDerWaalsContact CG1-CA 3.44Å; V111-I117 HydrophobicContact CG1-CD1 4.21Å; V111-I117 HydrophobicContact CG1-CG1 3.92Å; V111-I117 HydrophobicContact CG2-CD1 4.28Å; V111-I117 HydrophobicContact CG2-CG1 4.15Å; V111-F147 HydrophobicContact CB-CD1 4.21Å; V111-F147 HydrophobicContact CB-CE1 4.22Å; V111-F147 HydrophobicContact CG1-CD1 3.8Å; V111-F147 HydrophobicContact CG1-CE1 4.29Å; V111-K176 HydrophobicContact CG1-CB 4.31Å; V111-K176 HydrophobicContact CG1-CD 4.41Å; V111-K176 WeakPolarHBondContact O-CD 3.47Å; V111-K176 PolarHBondContact O-NZ 2.94Å; V111-L177 HydrophobicContact CG2-CB 3.6Å; V111-L177 HydrophobicContact CG2-CD1 3.85Å; V111-L177 HydrophobicContact CG2-CG 4.33Å
112	G	95	Very high	97.9	Very high	27 Å²	27	27 Å²	27	28%	0.278	14%	0.143	S	C	.	.			trans	74	165.5	-175.1	0	0	0	0	0	113.2	Y107 H114 G115 F147	Y107-G112 PolarHBondContact O-N 2.89Å; G112-H114 PolarHBondContact O-N 3.38Å; G112-G115 PolarHBondContact O-N 3.3Å; G112-F147 WeakPolarHBondContact O-CD1 3.4Å; G112-F147 WeakPolarHBondContact O-CE1 3.26Å
113	L	96.9	Very high	97.6	Very high	117 Å²	117	28.2 Å²	28.2	61%	0.613	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	135.7	-177.3	-170.8	72.5	0	0	0	111.8	G115 F146	L113-G115 PolarHBondContact O-N 3.44Å; L113-F146 HydrophobicContact CD1-CB 4.27Å; L113-F146 HydrophobicContact CD1-CD1 4.16Å; L113-F146 WeakPolarHBondContact CD1-O 3.46Å
114	H	98	Very high	97.4	Very high	114 Å²	114	29.2 Å²	29.2	53%	0.528	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	6.1	-176	-50.2	-57.2	0	0	0	115.6	G112 F146	G112-H114 PolarHBondContact O-N 3.38Å; H114-F146 PolarHBondContact N-O 3.3Å
115	G	98.2	Very high	97.2	Very high	6 Å²	6	27.3 Å²	27.3	6%	0.062	15%	0.148	C	C	.	.			trans	-64.8	154.4	173.3	0	0	0	0	0	111.2	V111 G112 L113 F147 E148	V111-G115 VanDerWaalsContact CG1-CA 3.44Å; G112-G115 PolarHBondContact O-N 3.3Å; L113-G115 PolarHBondContact O-N 3.44Å; G115-F147 WeakPolarHBondContact O-CB 3.36Å; G115-E148 PolarHBondContact O-N 3.45Å
116	R	98.6	Very high	97.1	Very high	112 Å²	112	27.3 Å²	27.3	42%	0.423	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.7	-168.7	-67	-176	-172.6	174.5	0.3	111.9	E148 F173 K176 L177	R116-E148 CarbonylContact C-O 3.52Å; R116-E148 VanDerWaalsContact CA-O 3.27Å; R116-E148 WeakPolarHBondContact CA-O 3.41Å; R116-E148 HydrophobicContact CG-CB 4.25Å; R116-F173 HydrophobicContact CB-CD1 4.31Å; R116-F173 HydrophobicContact CB-CE1 3.62Å; R116-F173 HydrophobicContact CB-CE2 4.45Å; R116-F173 HydrophobicContact CB-CZ 3.69Å; R116-F173 WeakPolarHBondContact CD-O 3.39Å; R116-F173 HydrophobicContact CG-CE1 4.15Å; R116-F173 HydrophobicContact CG-CE2 4.08Å; R116-F173 HydrophobicContact CG-CZ 3.73Å; R116-F173 PolarHBondContact NH1-O 3.47Å; R116-K176 PolarHBondContact O-N 3.43Å; R116-L177 PolarHBondContact O-N 2.94Å
117	I	98.8	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.8	-179.1	-59	176.3	0	0	0	109.6	Y107 V111 T143 F147 E148 S149 V150 L177 V179	Y107-I117 HydrophobicContact CD1-CD1 3.7Å; Y107-I117 HydrophobicContact CD2-CD1 4.01Å; Y107-I117 HydrophobicContact CE1-CD1 4.16Å; Y107-I117 HydrophobicContact CE2-CD1 4.46Å; Y107-I117 HydrophobicContact CG-CD1 3.62Å; V111-I117 HydrophobicContact CG1-CD1 4.21Å; V111-I117 HydrophobicContact CG1-CG1 3.92Å; V111-I117 HydrophobicContact CG2-CD1 4.28Å; V111-I117 HydrophobicContact CG2-CG1 4.15Å; I117-T143 HydrophobicContact CD1-CG2 3.97Å; I117-F147 HydrophobicContact CD1-CB 3.66Å; I117-F147 HydrophobicContact CD1-CD1 4.12Å; I117-F147 HydrophobicContact CD1-CD2 3.99Å; I117-F147 HydrophobicContact CD1-CG 3.65Å; I117-F147 HydrophobicContact CG1-CB 4.23Å; I117-E148 PolarHBondContact N-O 2.78Å; I117-S149 VanDerWaalsContact O-CA 3.3Å; I117-S149 WeakPolarHBondContact O-CA 3.49Å; I117-V150 PolarHBondContact O-N 3Å; I117-L177 WeakPolarHBondContact CA-O 3.12Å; I117-L177 HydrophobicContact CG2-CD2 4.14Å; I117-V179 HydrophobicContact CG2-CG2 4.14Å
118	M	98.8	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.9	166.8	-73.4	-179.9	65.3	0	0	111.2	V150 Y152 L166 V169 A170 F173 P175 L177 I178 V179	M118-V150 VanDerWaalsContact CA-O 3.31Å; M118-V150 WeakPolarHBondContact CA-O 3.47Å; M118-V150 WeakPolarHBondContact CG-O 3.15Å; M118-Y152 HydrophobicContact CB-CD1 4.47Å; M118-L166 HydrophobicContact CE-CD2 4.47Å; M118-L166 HydrophobicContact CE-CG 4.42Å; M118-V169 HydrophobicContact CE-CB 3.87Å; M118-V169 HydrophobicContact CE-CG1 3.54Å; M118-V169 HydrophobicContact SD-CG1 4.13Å; M118-A170 HydrophobicContact CE-CB 4.39Å; M118-A170 VanDerWaalsContact SD-CA 3.59Å; M118-A170 HydrophobicContact SD-CB 3.91Å; M118-F173 HydrophobicContact CG-CD1 3.7Å; M118-F173 HydrophobicContact CG-CE1 4.06Å; M118-F173 HydrophobicContact SD-CD1 4.03Å; M118-P175 HydrophobicContact CB-CB 4.39Å; M118-P175 HydrophobicContact CG-CB 3.97Å; M118-P175 HydrophobicContact CG-CG 4.19Å; M118-P175 HydrophobicContact SD-CB 4.2Å; M118-P175 HydrophobicContact SD-CG 3.76Å; M118-L177 PolarHBondContact N-O 3.33Å; M118-I178 HydrophobicContact CB-CG1 4.42Å; M118-I178 CarbonylContact O-C 3.6Å; M118-I178 WeakPolarHBondContact O-CA 3.39Å; M118-V179 PolarHBondContact O-N 2.93Å
119	G	98.6	Very high	96.9	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	165.7	177	0	0	0	0	0	111.1	D121 P151 Y152	G119-D121 PolarHBondContact O-N 2.85Å; G119-P151 CarbonylContact O-C 3.46Å; G119-P151 WeakPolarHBondContact O-CA 3.32Å; G119-Y152 VanDerWaalsContact C-CD1 3.45Å; G119-Y152 WeakPolarHBondContact O-CD1 3.15Å; G119-Y152 PolarHBondContact O-N 3.11Å
120	L	98.1	Very high	97	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	136	175	-178.3	58.7	0	0	0	109.2	L122 D124 G126 Y152 V154 I161 T182	L120-L122 PolarHBondContact O-N 3Å; L120-D124 HydrophobicContact CD1-CB 3.91Å; L120-D124 WeakPolarHBondContact CD2-O 3.1Å; L120-D124 HydrophobicContact CG-CB 4.36Å; L120-G126 WeakPolarHBondContact O-CA 3.21Å; L120-Y152 HydrophobicContact CB-CD2 4.26Å; L120-Y152 HydrophobicContact CB-CE2 3.54Å; L120-Y152 HydrophobicContact CD1-CD2 3.81Å; L120-Y152 HydrophobicContact CD1-CE2 3.66Å; L120-Y152 HydrophobicContact CG-CE2 4.14Å; L120-Y152 VanDerWaalsContact N-CE1 3.3Å; L120-V154 HydrophobicContact CD1-CG1 4.21Å; L120-I161 HydrophobicContact CD1-CG1 4.32Å; L120-I161 HydrophobicContact CD2-CD1 4.5Å; L120-T182 HydrophobicContact CD2-CG2 3.66Å
121	D	95.4	Very high	96.9	Very high	18 Å²	18	31.2 Å²	31.2	10%	0.096	17%	0.165	C	C	.	.			trans	-56.5	141	177.5	-155.2	0.6	0	0	0	110.6	G119 P123 D124 G125 G126 P151 Y152 K153	G119-D121 PolarHBondContact O-N 2.85Å; D121-P123 VanDerWaalsContact CG-CD 3.47Å; D121-P123 VanDerWaalsContact OD1-CD 3.3Å; D121-P123 WeakPolarHBondContact OD1-CD 3.21Å; D121-D124 HydrophobicContact CB-CB 4.07Å; D121-D124 CarbonylContact O-C 3.56Å; D121-D124 PolarHBondContact O-N 2.94Å; D121-G125 PolarHBondContact O-N 2.89Å; D121-G126 WeakPolarHBondContact O-CA 3.38Å; D121-G126 PolarHBondContact O-N 2.83Å; D121-P151 HydrophobicContact CB-CB 3.68Å; D121-P151 HydrophobicContact CB-CG 4.42Å; D121-Y152 PolarHBondContact N-O 2.83Å; D121-K153 HydrophobicContact CB-CG 4.28Å; D121-K153 VanDerWaalsContact OD2-CE 3.28Å; D121-K153 WeakPolarHBondContact OD2-CE 3.26Å; D121-K153 IonicContact OD2-NZ 2.86Å; D121-K153 PolarHBondContact OD2-NZ 2.98Å
122	L	93.4	Very high	96.8	Very high	44 Å²	44	32.9 Å²	32.9	23%	0.23	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-58	-44.7	-177.4	180	69.4	0	0	0	111.9	L120 D124 G125 L128 Y132	L120-L122 PolarHBondContact O-N 3Å; L122-D124 PolarHBondContact O-N 2.98Å; L122-G125 PolarHBondContact O-N 2.86Å; L122-L128 HydrophobicContact CD1-CG 4.16Å; L122-L128 HydrophobicContact CD2-CD2 3.61Å; L122-L128 HydrophobicContact CD2-CG 4.11Å; L122-Y132 HydrophobicContact CB-CD2 3.55Å; L122-Y132 HydrophobicContact CB-CE2 3.96Å; L122-Y132 HydrophobicContact CB-CG 3.96Å; L122-Y132 HydrophobicContact CD2-CD1 3.63Å; L122-Y132 HydrophobicContact CD2-CD2 3.98Å; L122-Y132 HydrophobicContact CD2-CE1 3.79Å; L122-Y132 HydrophobicContact CD2-CE2 4.12Å; L122-Y132 HydrophobicContact CD2-CG 3.74Å; L122-Y132 HydrophobicContact CG-CD2 4.43Å
123	P	92.6	Very high	96.7	Very high	25 Å²	25	34.7 Å²	34.7	16%	0.162	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-66.4	-22.2	177.5	-21.6	36.3	0	0	0	114.1	D121 G125 T373	D121-P123 VanDerWaalsContact CG-CD 3.47Å; D121-P123 VanDerWaalsContact OD1-CD 3.3Å; D121-P123 WeakPolarHBondContact OD1-CD 3.21Å; P123-G125 VanDerWaalsContact C-N 3.28Å; P123-G125 PolarHBondContact O-N 2.94Å; P123-T373 VanDerWaalsContact C-OG1 3.29Å; P123-T373 WeakPolarHBondContact CA-OG1 3.41Å; P123-T373 HydrophobicContact CB-CG2 4.18Å; P123-T373 WeakPolarHBondContact O-CB 3.34Å; P123-T373 PolarHBondContact O-OG1 2.66Å
124	D	95	Very high	96.2	Very high	21 Å²	21	30.1 Å²	30.1	11%	0.112	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-91.5	9.5	-177.8	-68.2	-5.8	0	0	0	112.2	L120 D121 L122 K153 V154	L120-D124 HydrophobicContact CD1-CB 3.91Å; L120-D124 WeakPolarHBondContact CD2-O 3.1Å; L120-D124 HydrophobicContact CG-CB 4.36Å; D121-D124 HydrophobicContact CB-CB 4.07Å; D121-D124 CarbonylContact O-C 3.56Å; D121-D124 PolarHBondContact O-N 2.94Å; L122-D124 PolarHBondContact O-N 2.98Å; D124-K153 VanDerWaalsContact OD2-CA 3.27Å; D124-K153 WeakPolarHBondContact OD2-CA 3.33Å; D124-K153 WeakPolarHBondContact OD2-CB 3.4Å; D124-K153 VanDerWaalsContact OD2-CG 3.3Å; D124-K153 WeakPolarHBondContact OD2-CG 3.33Å; D124-V154 HydrophobicContact CB-CG1 4.21Å; D124-V154 HydrophobicContact CB-CG2 3.88Å; D124-V154 PolarHBondContact OD2-N 3.25Å
125	G	95.4	Very high	95.6	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.5	9.7	176.5	0	0	0	0	0	114.8	D121 L122 P123 T182 S183 A184	D121-G125 PolarHBondContact O-N 2.89Å; L122-G125 PolarHBondContact O-N 2.86Å; P123-G125 VanDerWaalsContact C-N 3.28Å; P123-G125 PolarHBondContact O-N 2.94Å; G125-T182 CarbonylContact O-C 3.56Å; G125-S183 PolarHBondContact O-N 2.65Å; G125-A184 PolarHBondContact O-N 2.99Å
126	G	96.4	Very high	95.1	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.031	21%	0.205	C	C	.	.			trans	-68.3	-174.8	170	0	0	0	0	0	113.5	L120 D121	L120-G126 WeakPolarHBondContact O-CA 3.21Å; D121-G126 WeakPolarHBondContact O-CA 3.38Å; D121-G126 PolarHBondContact O-N 2.83Å
127	H	97.3	Very high	94.5	Very high	56 Å²	56	32.1 Å²	32.1	26%	0.259	21%	0.21	S	C	.	.			trans	-121	150.7	175.1	-171.9	-109.1	0	0	0	110.9	T129 H130 S183	H127-T129 VanDerWaalsContact CE1-CG2 3.46Å; H127-T129 WeakPolarHBondContact CE1-CG2 3.16Å; H127-T129 WeakPolarHBondContact ND1-CG2 3.42Å; H127-T129 PolarHBondContact ND1-N 2.55Å; H127-T129 PolarHBondContact ND1-OG1 2.99Å; H127-T129 PolarHBondContact O-N 3.36Å; H127-H130 PolarHBondContact N-ND1 3.21Å; H127-H130 WeakPolarHBondContact O-CB 3.42Å; H127-H130 PolarHBondContact O-N 3.33Å; H127-S183 WeakPolarHBondContact CB-OG 3.41Å; H127-S183 PolarHBondContact CD2-OG 3.45Å
128	L	96.6	Very high	94.2	Very high	80 Å²	80	40.2 Å²	40.2	42%	0.419	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-51	-35.5	-179.7	-80.3	165.7	0	0	0	113	L122 H130 G131 Y132 V140 S141	L122-L128 HydrophobicContact CD1-CG 4.16Å; L122-L128 HydrophobicContact CD2-CD2 3.61Å; L122-L128 HydrophobicContact CD2-CG 4.11Å; L128-H130 PolarHBondContact O-N 3.24Å; L128-G131 PolarHBondContact O-N 3.23Å; L128-Y132 HydrophobicContact CD2-CD1 3.97Å; L128-Y132 HydrophobicContact CD2-CG 4.44Å; L128-V140 HydrophobicContact CD2-CG1 4.47Å; L128-S141 WeakPolarHBondContact O-CB 3.22Å
129	T	98.4	Very high	94	Very high	12 Å²	12	43.7 Å²	43.7	7%	0.074	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-75	-9.8	-177.2	61.6	0	0	0	0	113.5	S100 N103 Y107 H127 T143	S100-T129 VanDerWaalsContact OG-CG2 3.31Å; S100-T129 WeakPolarHBondContact OG-CG2 3.34Å; N103-T129 PolarHBondContact ND2-OG1 3.48Å; Y107-T129 WeakPolarHBondContact CE2-O 3.4Å; Y107-T129 PolarHBondContact OH-O 3.11Å; H127-T129 VanDerWaalsContact CE1-CG2 3.46Å; H127-T129 WeakPolarHBondContact CE1-CG2 3.16Å; H127-T129 WeakPolarHBondContact ND1-CG2 3.42Å; H127-T129 PolarHBondContact ND1-N 2.55Å; H127-T129 PolarHBondContact ND1-OG1 2.99Å; H127-T129 PolarHBondContact O-N 3.36Å; T129-T143 PolarHBondContact O-OG1 2.97Å
130	H	98.6	Very high	93.8	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.014	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-86.1	-2.1	177.8	-51.8	159.7	0	0	0	112.3	H127 L128 G181 D208	H127-H130 PolarHBondContact N-ND1 3.21Å; H127-H130 WeakPolarHBondContact O-CB 3.42Å; H127-H130 PolarHBondContact O-N 3.33Å; L128-H130 PolarHBondContact O-N 3.24Å; H130-G181 PolarHBondContact CE1-O 3.37Å; H130-D208 IonicContact CD2-OD2 3.23Å; H130-D208 IonicContact CE1-OD2 3.29Å; H130-D208 IonicContact NE2-OD2 3.28Å; H130-D208 PolarHBondContact NE2-OD2 3.18Å
131	G	97.4	Very high	93.8	Very high	8 Å²	8	46.9 Å²	46.9	8%	0.082	28%	0.275	C	S	.	.			trans	107.4	117.5	-178	0	0	0	0	0	110.6	L128 S144	L128-G131 PolarHBondContact O-N 3.23Å; G131-S144 WeakPolarHBondContact CA-OG 3.37Å
132	Y	95.5	Very high	93.9	Very high	39 Å²	39	48.4 Å²	48.4	15%	0.153	29%	0.29	C	S	.	.			trans	-141.6	129.5	174.3	-177.7	-118.6	0	0	0	112	L122 L128 V140 S141 S144	L122-Y132 HydrophobicContact CB-CD2 3.55Å; L122-Y132 HydrophobicContact CB-CE2 3.96Å; L122-Y132 HydrophobicContact CB-CG 3.96Å; L122-Y132 HydrophobicContact CD2-CD1 3.63Å; L122-Y132 HydrophobicContact CD2-CD2 3.98Å; L122-Y132 HydrophobicContact CD2-CE1 3.79Å; L122-Y132 HydrophobicContact CD2-CE2 4.12Å; L122-Y132 HydrophobicContact CD2-CG 3.74Å; L122-Y132 HydrophobicContact CG-CD2 4.43Å; L128-Y132 HydrophobicContact CD2-CD1 3.97Å; L128-Y132 HydrophobicContact CD2-CG 4.44Å; Y132-V140 HydrophobicContact CD1-CB 3.69Å; Y132-V140 HydrophobicContact CD1-CG1 3.96Å; Y132-V140 HydrophobicContact CD1-CG2 4.01Å; Y132-V140 HydrophobicContact CE1-CB 4.15Å; Y132-V140 HydrophobicContact CE1-CG1 4.33Å; Y132-V140 HydrophobicContact CE1-CG2 3.98Å; Y132-V140 PolarHBondContact O-N 3.39Å; Y132-V140 VanDerWaalsContact O-N 3.08Å; Y132-S141 PolarHBondContact N-OG 3.26Å; Y132-S141 PolarHBondContact O-N 3.14Å; Y132-S141 VanDerWaalsContact O-N 3.12Å; Y132-S141 PolarHBondContact O-OG 3.48Å; Y132-S144 PolarHBondContact N-OG 2.99Å; Y132-S144 PolarHBondContact O-OG 3.35Å
133	Q	92.1	Very high	94.1	Very high	64 Å²	64	46.5 Å²	46.5	30%	0.299	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-128.7	135.3	173.7	-51.2	-174.6	33.5	0	0	107.7	R138 K139 S144 S149	Q133-R138 WeakPolarHBondContact CA-O 3.41Å; Q133-K139 HydrophobicContact CG-CG 4.04Å; Q133-S144 VanDerWaalsContact CG-CB 3.47Å; Q133-S144 WeakPolarHBondContact CG-OG 3.39Å; Q133-S149 PolarHBondContact NE2-O 2.73Å; Q133-S149 PolarHBondContact NE2-OG 3.43Å
134	A	88.1	Confident	94.3	Very high	22 Å²	22	45.3 Å²	45.3	18%	0.182	27%	0.272	C	S	.	.			trans	-69.8	159	175.3	0	0	0	0	0	110.5	S136 G137 R138 V140	A134-S136 PolarHBondContact O-N 3.36Å; A134-G137 PolarHBondContact O-N 2.83Å; A134-R138 HydrophobicContact CB-CB 4.36Å; A134-R138 PolarHBondContact N-O 2.96Å; A134-V140 HydrophobicContact CB-CG2 4.21Å
135	A	84.3	Confident	94.5	Very high	120 Å²	120	49 Å²	49	99%	0.992	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.4	177	0	0	0	0	0	113.9	G137	A135-G137 PolarHBondContact O-N 3.37Å
136	S	88	Confident	94.6	Very high	104 Å²	104	53.2 Å²	53.2	73%	0.727	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-1.5	173.3	60.9	0	0	0	0	114.6	A134 R138	A134-S136 PolarHBondContact O-N 3.36Å; S136-R138 VanDerWaalsContact C-N 3.26Å; S136-R138 PolarHBondContact O-N 3.45Å
137	G	86.1	Confident	94.7	Very high	50 Å²	50	53.2 Å²	53.2	52%	0.515	31%	0.308	S	S	.	.	S	Bend	trans	81.8	-1.3	-171.5	0	0	0	0	0	113.9	A134 A135 K139	A134-G137 PolarHBondContact O-N 2.83Å; A135-G137 PolarHBondContact O-N 3.37Å; G137-K139 PolarHBondContact O-N 2.78Å; G137-K139 VanDerWaalsContact O-N 3.13Å
138	R	92.7	Very high	94.7	Very high	169 Å²	169	53.8 Å²	53.8	64%	0.638	31%	0.311	S	S	*	.			trans	-67.1	113.7	176.3	-173.3	179.1	73.6	154.9	2.2	109.9	Q133 A134 S136 V140	Q133-R138 WeakPolarHBondContact CA-O 3.41Å; A134-R138 HydrophobicContact CB-CB 4.36Å; A134-R138 PolarHBondContact N-O 2.96Å; S136-R138 VanDerWaalsContact C-N 3.26Å; S136-R138 PolarHBondContact O-N 3.45Å; R138-V140 WeakPolarHBondContact O-CG2 3.48Å; R138-V140 PolarHBondContact O-N 3.14Å
139	K	94.8	Very high	94.8	Very high	73 Å²	73	50.6 Å²	50.6	32%	0.317	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-65.5	110.9	170.3	-68.5	170.5	164.3	-144	0	108.9	Q133 G137 S144 E148	Q133-K139 HydrophobicContact CG-CG 4.04Å; G137-K139 PolarHBondContact O-N 2.78Å; G137-K139 VanDerWaalsContact O-N 3.13Å; K139-S144 WeakPolarHBondContact CD-O 3.31Å; K139-S144 WeakPolarHBondContact CE-O 3.21Å; K139-S144 PolarHBondContact NZ-O 3.39Å; K139-E148 IonicContact NZ-OE1 2.71Å; K139-E148 PolarHBondContact NZ-OE1 2.86Å; K139-E148 VanDerWaalsContact NZ-OE1 3.17Å; K139-E148 IonicContact NZ-OE2 2.64Å
140	V	94.5	Very high	94.7	Very high	61 Å²	61	52.3 Å²	52.3	37%	0.37	31%	0.306	S	S	.	.			trans	-94.2	-45.6	-175.5	177.2	0	0	0	0	110.8	L128 Y132 A134 R138	L128-V140 HydrophobicContact CD2-CG1 4.47Å; Y132-V140 HydrophobicContact CD1-CB 3.69Å; Y132-V140 HydrophobicContact CD1-CG1 3.96Å; Y132-V140 HydrophobicContact CD1-CG2 4.01Å; Y132-V140 HydrophobicContact CE1-CB 4.15Å; Y132-V140 HydrophobicContact CE1-CG1 4.33Å; Y132-V140 HydrophobicContact CE1-CG2 3.98Å; Y132-V140 PolarHBondContact O-N 3.39Å; Y132-V140 VanDerWaalsContact O-N 3.08Å; A134-V140 HydrophobicContact CB-CG2 4.21Å; R138-V140 WeakPolarHBondContact O-CG2 3.48Å; R138-V140 PolarHBondContact O-N 3.14Å
141	S	96.8	Very high	94.6	Very high	11 Å²	11	54.4 Å²	54.4	8%	0.077	32%	0.32	C	S	.	.	S	Bend	trans	-80.5	145.9	176.9	71.8	0	0	0	0	111.4	L128 Y132 T143 S144 L145	L128-S141 WeakPolarHBondContact O-CB 3.22Å; Y132-S141 PolarHBondContact N-OG 3.26Å; Y132-S141 PolarHBondContact O-N 3.14Å; Y132-S141 VanDerWaalsContact O-N 3.12Å; Y132-S141 PolarHBondContact O-OG 3.48Å; S141-T143 PolarHBondContact O-N 3.45Å; S141-S144 PolarHBondContact O-N 2.64Å; S141-S144 WeakPolarHBondContact OG-CB 3.44Å; S141-S144 PolarHBondContact OG-N 3.45Å; S141-S144 PolarHBondContact OG-OG 3.23Å; S141-L145 PolarHBondContact O-N 2.81Å; S141-L145 VanDerWaalsContact O-N 3.12Å
142	A	97.6	Very high	94.7	Very high	50 Å²	50	54.2 Å²	54.2	41%	0.413	32%	0.317	S	S	.	.	H	α-helix	trans	-57.9	-33.3	168.5	0	0	0	0	0	111.4	F104 S144 L145 F146	F104-A142 HydrophobicContact CD2-CB 4.45Å; F104-A142 HydrophobicContact CE2-CB 4.03Å; A142-S144 PolarHBondContact O-N 3.32Å; A142-L145 WeakPolarHBondContact O-CB 3.4Å; A142-L145 PolarHBondContact O-N 2.92Å; A142-F146 HydrophobicContact CB-CD2 4.32Å; A142-F146 HydrophobicContact CB-CE2 4.33Å; A142-F146 VanDerWaalsContact O-CD2 3.24Å; A142-F146 WeakPolarHBondContact O-CD2 3.32Å; A142-F146 PolarHBondContact O-N 3.34Å
143	T	98.2	Very high	94.8	Very high	4 Å²	4	57.3 Å²	57.3	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-54.7	-51.8	174.3	-55.3	0	0	0	0	111.1	Y107 I117 T129 S141 L145 F147	Y107-T143 HydrophobicContact CD2-CG2 4Å; Y107-T143 HydrophobicContact CE2-CG2 3.76Å; I117-T143 HydrophobicContact CD1-CG2 3.97Å; T129-T143 PolarHBondContact O-OG1 2.97Å; S141-T143 PolarHBondContact O-N 3.45Å; T143-L145 PolarHBondContact O-N 2.78Å; T143-F147 HydrophobicContact CG2-CD2 4.2Å; T143-F147 WeakPolarHBondContact O-CA 3.34Å; T143-F147 VanDerWaalsContact O-CB 3.24Å; T143-F147 WeakPolarHBondContact O-CB 3.46Å; T143-F147 WeakPolarHBondContact O-CD2 3.3Å; T143-F147 PolarHBondContact O-N 2.89Å
144	S	97.5	Very high	95	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-70.1	-19.8	177.5	-55.8	0	0	0	0	113.9	G131 Y132 Q133 K139 S141 A142 F147 S149	G131-S144 WeakPolarHBondContact CA-OG 3.37Å; Y132-S144 PolarHBondContact N-OG 2.99Å; Y132-S144 PolarHBondContact O-OG 3.35Å; Q133-S144 VanDerWaalsContact CG-CB 3.47Å; Q133-S144 WeakPolarHBondContact CG-OG 3.39Å; K139-S144 WeakPolarHBondContact CD-O 3.31Å; K139-S144 WeakPolarHBondContact CE-O 3.21Å; K139-S144 PolarHBondContact NZ-O 3.39Å; S141-S144 PolarHBondContact O-N 2.64Å; S141-S144 WeakPolarHBondContact OG-CB 3.44Å; S141-S144 PolarHBondContact OG-N 3.45Å; S141-S144 PolarHBondContact OG-OG 3.23Å; A142-S144 PolarHBondContact O-N 3.32Å; S144-F147 CarbonylContact C-O 3.36Å; S144-F147 WeakPolarHBondContact CA-O 3.34Å; S144-S149 WeakPolarHBondContact CB-OG 3.33Å; S144-S149 PolarHBondContact OG-OG 3.38Å
145	L	97.5	Very high	95.4	Very high	98 Å²	98	56.1 Å²	56.1	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-71.8	-49.6	176.3	-173.2	62.7	0	0	0	111.6	S141 A142 T143	S141-L145 PolarHBondContact O-N 2.81Å; S141-L145 VanDerWaalsContact O-N 3.12Å; A142-L145 WeakPolarHBondContact O-CB 3.4Å; A142-L145 PolarHBondContact O-N 2.92Å; T143-L145 PolarHBondContact O-N 2.78Å
146	F	98.2	Very high	95.9	Very high	90 Å²	90	54.3 Å²	54.3	40%	0.395	30%	0.302	S	S	.	.	H	α-helix	trans	-95.1	-20.7	-174.1	-63.8	-76.5	0	0	0	113.8	F104 L113 H114 A142	F104-F146 HydrophobicContact CE2-CB 4.44Å; F104-F146 AromaticContact CE2-CD2 3.76Å; F104-F146 HydrophobicContact CE2-CD2 3.76Å; F104-F146 HydrophobicContact CE2-CG 4.44Å; F104-F146 HydrophobicContact CZ-CB 4.24Å; F104-F146 AromaticContact CZ-CD2 3.49Å; F104-F146 HydrophobicContact CZ-CD2 3.49Å; F104-F146 VanDerWaalsContact CZ-CD2 3.49Å; F104-F146 HydrophobicContact CZ-CE2 4.07Å; F104-F146 HydrophobicContact CZ-CG 4Å; L113-F146 HydrophobicContact CD1-CB 4.27Å; L113-F146 HydrophobicContact CD1-CD1 4.16Å; L113-F146 WeakPolarHBondContact CD1-O 3.46Å; H114-F146 PolarHBondContact N-O 3.3Å; A142-F146 HydrophobicContact CB-CD2 4.32Å; A142-F146 HydrophobicContact CB-CE2 4.33Å; A142-F146 VanDerWaalsContact O-CD2 3.24Å; A142-F146 WeakPolarHBondContact O-CD2 3.32Å; A142-F146 PolarHBondContact O-N 3.34Å
147	F	98.5	Very high	96.1	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.013	31%	0.307	C	S	.	.	S	Bend	trans	-122.4	159.6	178.8	-50.6	-80.1	0	0	0	110	F104 Y107 V111 G112 G115 I117 T143 S144	F104-F147 HydrophobicContact CD2-CE2 4.15Å; F104-F147 AromaticContact CE2-CE2 3.74Å; F104-F147 HydrophobicContact CE2-CE2 3.74Å; F104-F147 HydrophobicContact CZ-CE2 4.14Å; Y107-F147 VanDerWaalsContact CB-CE2 3.44Å; Y107-F147 HydrophobicContact CD2-CD2 4.34Å; Y107-F147 HydrophobicContact CD2-CE2 4.09Å; Y107-F147 HydrophobicContact CG-CE2 4.23Å; Y107-F147 HydrophobicContact CG-CZ 4.5Å; V111-F147 HydrophobicContact CB-CD1 4.21Å; V111-F147 HydrophobicContact CB-CE1 4.22Å; V111-F147 HydrophobicContact CG1-CD1 3.8Å; V111-F147 HydrophobicContact CG1-CE1 4.29Å; G112-F147 WeakPolarHBondContact O-CD1 3.4Å; G112-F147 WeakPolarHBondContact O-CE1 3.26Å; G115-F147 WeakPolarHBondContact O-CB 3.36Å; I117-F147 HydrophobicContact CD1-CB 3.66Å; I117-F147 HydrophobicContact CD1-CD1 4.12Å; I117-F147 HydrophobicContact CD1-CD2 3.99Å; I117-F147 HydrophobicContact CD1-CG 3.65Å; I117-F147 HydrophobicContact CG1-CB 4.23Å; T143-F147 HydrophobicContact CG2-CD2 4.2Å; T143-F147 WeakPolarHBondContact O-CA 3.34Å; T143-F147 VanDerWaalsContact O-CB 3.24Å; T143-F147 WeakPolarHBondContact O-CB 3.46Å; T143-F147 WeakPolarHBondContact O-CD2 3.3Å; T143-F147 PolarHBondContact O-N 2.89Å; S144-F147 CarbonylContact C-O 3.36Å; S144-F147 WeakPolarHBondContact CA-O 3.34Å
148	E	98.1	Very high	96.5	Very high	69 Å²	69	59.2 Å²	59.2	32%	0.322	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.9	174	-66.5	-54.3	135.5	0	0	109	G115 R116 I117 K139 F173	G115-E148 PolarHBondContact O-N 3.45Å; R116-E148 CarbonylContact C-O 3.52Å; R116-E148 VanDerWaalsContact CA-O 3.27Å; R116-E148 WeakPolarHBondContact CA-O 3.41Å; R116-E148 HydrophobicContact CG-CB 4.25Å; I117-E148 PolarHBondContact N-O 2.78Å; K139-E148 IonicContact NZ-OE1 2.71Å; K139-E148 PolarHBondContact NZ-OE1 2.86Å; K139-E148 VanDerWaalsContact NZ-OE1 3.17Å; K139-E148 IonicContact NZ-OE2 2.64Å; E148-F173 HydrophobicContact CB-CZ 4.42Å; E148-F173 WeakPolarHBondContact O-CZ 3.49Å
149	S	97.4	Very high	96.7	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.6	-174.9	68.3	0	0	0	0	112.3	I117 Q133 S144	I117-S149 VanDerWaalsContact O-CA 3.3Å; I117-S149 WeakPolarHBondContact O-CA 3.49Å; Q133-S149 PolarHBondContact NE2-O 2.73Å; Q133-S149 PolarHBondContact NE2-OG 3.43Å; S144-S149 WeakPolarHBondContact CB-OG 3.33Å; S144-S149 PolarHBondContact OG-OG 3.38Å
150	V	96.9	Very high	96.8	Very high	49 Å²	49	52.9 Å²	52.9	30%	0.297	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.9	169	170	0	0	0	0	109.3	I117 M118 V169 F173	I117-V150 PolarHBondContact O-N 3Å; M118-V150 VanDerWaalsContact CA-O 3.31Å; M118-V150 WeakPolarHBondContact CA-O 3.47Å; M118-V150 WeakPolarHBondContact CG-O 3.15Å; V150-V169 HydrophobicContact CG1-CG1 3.78Å; V150-F173 HydrophobicContact CB-CD1 3.98Å; V150-F173 HydrophobicContact CB-CD2 4.29Å; V150-F173 HydrophobicContact CB-CE1 3.85Å; V150-F173 HydrophobicContact CB-CE2 4.2Å; V150-F173 HydrophobicContact CB-CG 4.19Å; V150-F173 HydrophobicContact CB-CZ 3.98Å; V150-F173 HydrophobicContact CG2-CD1 4.21Å; V150-F173 HydrophobicContact CG2-CD2 3.66Å; V150-F173 HydrophobicContact CG2-CE1 3.94Å; V150-F173 HydrophobicContact CG2-CE2 3.39Å; V150-F173 HydrophobicContact CG2-CG 4.07Å; V150-F173 HydrophobicContact CG2-CZ 3.54Å
151	P	97.2	Very high	97	Very high	47 Å²	47	50.3 Å²	50.3	31%	0.305	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	150.3	-179.3	31.2	-34.4	0	0	0	112.3	G119 D121	G119-P151 CarbonylContact O-C 3.46Å; G119-P151 WeakPolarHBondContact O-CA 3.32Å; D121-P151 HydrophobicContact CB-CB 3.68Å; D121-P151 HydrophobicContact CB-CG 4.42Å
152	Y	98.3	Very high	97.1	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	163.4	151	63.4	-98.8	0	0	0	109.5	M118 G119 L120 D121 I161 L166 V179 F194	M118-Y152 HydrophobicContact CB-CD1 4.47Å; G119-Y152 VanDerWaalsContact C-CD1 3.45Å; G119-Y152 WeakPolarHBondContact O-CD1 3.15Å; G119-Y152 PolarHBondContact O-N 3.11Å; L120-Y152 HydrophobicContact CB-CD2 4.26Å; L120-Y152 HydrophobicContact CB-CE2 3.54Å; L120-Y152 HydrophobicContact CD1-CD2 3.81Å; L120-Y152 HydrophobicContact CD1-CE2 3.66Å; L120-Y152 HydrophobicContact CG-CE2 4.14Å; L120-Y152 VanDerWaalsContact N-CE1 3.3Å; D121-Y152 PolarHBondContact N-O 2.83Å; Y152-I161 HydrophobicContact CD2-CG2 4.1Å; Y152-I161 HydrophobicContact CE2-CD1 4.24Å; Y152-I161 HydrophobicContact CE2-CG2 4.14Å; Y152-L166 HydrophobicContact CD1-CD1 3.65Å; Y152-L166 HydrophobicContact CD1-CG 3.95Å; Y152-L166 HydrophobicContact CD2-CD1 3.65Å; Y152-L166 HydrophobicContact CD2-CG 4.35Å; Y152-L166 HydrophobicContact CE1-CD1 4Å; Y152-L166 HydrophobicContact CE2-CD1 4Å; Y152-L166 HydrophobicContact CG-CB 4.49Å; Y152-L166 HydrophobicContact CG-CD1 3.46Å; Y152-L166 VanDerWaalsContact CG-CD1 3.46Å; Y152-L166 HydrophobicContact CG-CG 3.75Å; Y152-V179 VanDerWaalsContact CE1-O 3.3Å; Y152-V179 WeakPolarHBondContact CE1-O 3.45Å; Y152-V179 PolarHBondContact OH-O 3.19Å; Y152-F194 HydrophobicContact CE1-CE1 4.01Å; Y152-F194 HydrophobicContact CE1-CZ 4.47Å; Y152-F194 HydrophobicContact CE2-CE1 4.32Å; Y152-F194 HydrophobicContact CE2-CZ 4.04Å; Y152-F194 AromaticContact CZ-CE1 3.73Å; Y152-F194 AromaticContact CZ-CZ 3.74Å; Y152-F194 WeakPolarHBondContact OH-CZ 3.4Å
153	K	97.5	Very high	97.2	Very high	103 Å²	103	51.2 Å²	51.2	45%	0.448	26%	0.256	S	S	.	.			trans	-129.7	168.8	-166.3	-66.7	-162.7	171.7	-117.8	0	112.5	D121 D124 D162	D121-K153 HydrophobicContact CB-CG 4.28Å; D121-K153 VanDerWaalsContact OD2-CE 3.28Å; D121-K153 WeakPolarHBondContact OD2-CE 3.26Å; D121-K153 IonicContact OD2-NZ 2.86Å; D121-K153 PolarHBondContact OD2-NZ 2.98Å; D124-K153 VanDerWaalsContact OD2-CA 3.27Å; D124-K153 WeakPolarHBondContact OD2-CA 3.33Å; D124-K153 WeakPolarHBondContact OD2-CB 3.4Å; D124-K153 VanDerWaalsContact OD2-CG 3.3Å; D124-K153 WeakPolarHBondContact OD2-CG 3.33Å; K153-D162 PolarHBondContact O-N 3.46Å; K153-D162 VanDerWaalsContact O-N 3.08Å
154	V	97.9	Very high	97.2	Very high	8 Å²	8	56.8 Å²	56.8	5%	0.048	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-90.7	157.8	162.5	-59.1	0	0	0	0	110.7	L120 D124 P156 W160 I161 Y185 P375	L120-V154 HydrophobicContact CD1-CG1 4.21Å; D124-V154 HydrophobicContact CB-CG1 4.21Å; D124-V154 HydrophobicContact CB-CG2 3.88Å; D124-V154 PolarHBondContact OD2-N 3.25Å; V154-P156 WeakPolarHBondContact O-CD 3.5Å; V154-W160 CarbonylContact C-O 3.56Å; V154-W160 WeakPolarHBondContact CA-O 3.4Å; V154-W160 VanDerWaalsContact CB-O 3.28Å; V154-W160 WeakPolarHBondContact CB-O 3.41Å; V154-I161 HydrophobicContact CG1-CG1 4.01Å; V154-Y185 HydrophobicContact CG1-CE2 4.18Å; V154-P375 HydrophobicContact CG2-CB 3.79Å; V154-P375 HydrophobicContact CG2-CG 3.77Å
155	D	96.2	Very high	97.2	Very high	53 Å²	53	63.7 Å²	63.7	28%	0.283	31%	0.308	S	S	.	.			trans	-66	118.4	162.7	173.4	-6	0	0	0	108.4	K157 T158 G159 W160	D155-K157 PolarHBondContact O-N 3.46Å; D155-K157 VanDerWaalsContact O-N 3.11Å; D155-K157 WeakPolarHBondContact OD1-CB 3.46Å; D155-K157 PolarHBondContact OD1-N 3.27Å; D155-T158 WeakPolarHBondContact CB-OG1 3.45Å; D155-T158 PolarHBondContact O-N 3.18Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.35Å; D155-T158 PolarHBondContact OD2-OG1 3.45Å; D155-G159 WeakPolarHBondContact O-CA 3.16Å; D155-G159 PolarHBondContact O-N 2.77Å; D155-W160 PolarHBondContact N-O 3.46Å
156	P	93.8	Very high	97.3	Very high	83 Å²	83	59.1 Å²	59.1	54%	0.539	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.5	-177	27.2	-35.8	0	0	0	113.9	V154	V154-P156 WeakPolarHBondContact O-CD 3.5Å
157	K	92.7	Very high	97.3	Very high	192 Å²	192	56.5 Å²	56.5	84%	0.835	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-39.3	178.1	-62.9	-179.4	179.9	178.3	0	112.5	D155	D155-K157 PolarHBondContact O-N 3.46Å; D155-K157 VanDerWaalsContact O-N 3.11Å; D155-K157 WeakPolarHBondContact OD1-CB 3.46Å; D155-K157 PolarHBondContact OD1-N 3.27Å
158	T	94.7	Very high	97.3	Very high	64 Å²	64	61 Å²	61	39%	0.393	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-23	-172.2	68.8	0	0	0	0	112.3	D155 W160	D155-T158 WeakPolarHBondContact CB-OG1 3.45Å; D155-T158 PolarHBondContact O-N 3.18Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.35Å; D155-T158 PolarHBondContact OD2-OG1 3.45Å; T158-W160 VanDerWaalsContact C-N 3.26Å; T158-W160 VanDerWaalsContact O-CD1 3.28Å; T158-W160 PolarHBondContact O-N 3.29Å; T158-W160 PolarHBondContact OG1-N 2.92Å
159	G	96.5	Very high	97.3	Very high	3 Å²	3	59 Å²	59	3%	0.031	29%	0.288	C	S	.	.			trans	76.9	5.5	-175.8	0	0	0	0	0	114.4	D155 Y185 T336	D155-G159 WeakPolarHBondContact O-CA 3.16Å; D155-G159 PolarHBondContact O-N 2.77Å; G159-Y185 WeakPolarHBondContact O-CE2 3.46Å; G159-T336 WeakPolarHBondContact O-CG2 3.45Å
160	W	98	Very high	97.4	Very high	106 Å²	106	58.4 Å²	58.4	40%	0.402	28%	0.284	S	S	.	.	S	Bend	trans	-88.6	146.7	178.4	-67.2	82.3	0	0	0	111.2	V154 D155 T158 D162 R187	V154-W160 CarbonylContact C-O 3.56Å; V154-W160 WeakPolarHBondContact CA-O 3.4Å; V154-W160 VanDerWaalsContact CB-O 3.28Å; V154-W160 WeakPolarHBondContact CB-O 3.41Å; D155-W160 PolarHBondContact N-O 3.46Å; T158-W160 VanDerWaalsContact C-N 3.26Å; T158-W160 VanDerWaalsContact O-CD1 3.28Å; T158-W160 PolarHBondContact O-N 3.29Å; T158-W160 PolarHBondContact OG1-N 2.92Å; W160-D162 PolarHBondContact O-N 2.81Å; W160-R187 HydrophobicContact CD2-CG 4.46Å; W160-R187 HydrophobicContact CE3-CB 4.24Å; W160-R187 HydrophobicContact CE3-CG 4.12Å; W160-R187 HydrophobicContact CH2-CB 4.04Å; W160-R187 HydrophobicContact CH2-CG 3.61Å; W160-R187 HydrophobicContact CZ2-CG 3.97Å; W160-R187 HydrophobicContact CZ3-CB 3.7Å; W160-R187 HydrophobicContact CZ3-CG 3.68Å
161	I	98.7	Very high	97.4	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.036	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-56.6	129.3	172.7	-68.3	169.2	0	0	0	109.8	L120 Y152 V154 Y163 L166 Y185 L189 F194	L120-I161 HydrophobicContact CD1-CG1 4.32Å; L120-I161 HydrophobicContact CD2-CD1 4.5Å; Y152-I161 HydrophobicContact CD2-CG2 4.1Å; Y152-I161 HydrophobicContact CE2-CD1 4.24Å; Y152-I161 HydrophobicContact CE2-CG2 4.14Å; V154-I161 HydrophobicContact CG1-CG1 4.01Å; I161-Y163 HydrophobicContact CB-CD2 4.36Å; I161-Y163 HydrophobicContact CB-CE1 4.47Å; I161-Y163 HydrophobicContact CB-CE2 3.86Å; I161-Y163 HydrophobicContact CG2-CD1 4.04Å; I161-Y163 HydrophobicContact CG2-CD2 4.14Å; I161-Y163 HydrophobicContact CG2-CE1 3.9Å; I161-Y163 HydrophobicContact CG2-CE2 3.98Å; I161-Y163 HydrophobicContact CG2-CG 4.16Å; I161-Y163 WeakPolarHBondContact O-CD2 3.34Å; I161-Y163 PolarHBondContact O-N 3.22Å; I161-L166 HydrophobicContact CG2-CD1 4.48Å; I161-Y185 HydrophobicContact CD1-CD1 4.5Å; I161-Y185 HydrophobicContact CD1-CE1 4.07Å; I161-Y185 HydrophobicContact CD1-CE2 4.4Å; I161-Y185 HydrophobicContact CG1-CE1 4.43Å; I161-Y185 HydrophobicContact CG1-CE2 3.97Å; I161-Y185 PolarHBondContact N-OH 3.44Å; I161-L189 HydrophobicContact CD1-CD2 3.4Å; I161-L189 VanDerWaalsContact CD1-CD2 3.4Å; I161-F194 HydrophobicContact CD1-CZ 4.49Å
162	D	98.4	Very high	97.4	Very high	56 Å²	56	65 Å²	65	30%	0.299	31%	0.312	S	S	.	.			trans	-85.9	88.5	176	-176.1	-19.1	0	0	0	109.1	K153 W160 E164 R165 L166	K153-D162 PolarHBondContact O-N 3.46Å; K153-D162 VanDerWaalsContact O-N 3.08Å; W160-D162 PolarHBondContact O-N 2.81Å; D162-E164 VanDerWaalsContact C-N 3.33Å; D162-E164 PolarHBondContact OD1-N 3.46Å; D162-R165 HydrophobicContact CB-CB 4.08Å; D162-R165 PolarHBondContact O-N 3.25Å; D162-R165 VanDerWaalsContact OD1-CB 3.24Å; D162-R165 WeakPolarHBondContact OD1-CB 3.44Å; D162-R165 PolarHBondContact OD1-N 2.95Å; D162-R165 VanDerWaalsContact OD2-CB 3.32Å; D162-R165 WeakPolarHBondContact OD2-CB 3.31Å; D162-L166 WeakPolarHBondContact O-CB 3.19Å; D162-L166 PolarHBondContact O-N 3.05Å
163	Y	98.6	Very high	97.4	Very high	25 Å²	25	66.4 Å²	66.4	10%	0.098	32%	0.319	C	S	.	.	H	α-helix	trans	-69.5	-31.1	-175.8	-67.7	-84	0	0	0	112.5	I161 L166 E167 D190 R193 F194	I161-Y163 HydrophobicContact CB-CD2 4.36Å; I161-Y163 HydrophobicContact CB-CE1 4.47Å; I161-Y163 HydrophobicContact CB-CE2 3.86Å; I161-Y163 HydrophobicContact CG2-CD1 4.04Å; I161-Y163 HydrophobicContact CG2-CD2 4.14Å; I161-Y163 HydrophobicContact CG2-CE1 3.9Å; I161-Y163 HydrophobicContact CG2-CE2 3.98Å; I161-Y163 HydrophobicContact CG2-CG 4.16Å; I161-Y163 WeakPolarHBondContact O-CD2 3.34Å; I161-Y163 PolarHBondContact O-N 3.22Å; Y163-L166 WeakPolarHBondContact O-CB 3.48Å; Y163-L166 PolarHBondContact O-N 3.27Å; Y163-E167 PolarHBondContact O-N 3.12Å; Y163-D190 HydrophobicContact CE1-CB 3.96Å; Y163-D190 HydrophobicContact CE2-CB 4.13Å; Y163-D190 PolarHBondContact OH-N 3.08Å; Y163-R193 HydrophobicContact CD1-CB 4.17Å; Y163-R193 HydrophobicContact CD1-CG 3.7Å; Y163-R193 HydrophobicContact CG-CG 3.86Å; Y163-F194 AromaticContact CE1-CD2 3.81Å; Y163-F194 HydrophobicContact CE1-CD2 3.81Å; Y163-F194 AromaticContact CE1-CE2 3.52Å; Y163-F194 HydrophobicContact CE1-CE2 3.52Å; Y163-F194 HydrophobicContact CE1-CZ 4.04Å
164	E	98.4	Very high	97.5	Very high	120 Å²	120	70.3 Å²	70.3	56%	0.561	33%	0.33	S	S	*	.	H	α-helix	trans	-62.7	-48.5	174	-68.7	68.5	-152.6	0	0	110.2	D162 E167 I168	D162-E164 VanDerWaalsContact C-N 3.33Å; D162-E164 PolarHBondContact OD1-N 3.46Å; E164-E167 PolarHBondContact O-N 3.22Å; E164-I168 WeakPolarHBondContact O-CG1 3.48Å; E164-I168 PolarHBondContact O-N 3.23Å; E164-I168 VanDerWaalsContact O-N 3.11Å
165	R	98.2	Very high	97.5	Very high	146 Å²	146	70 Å²	70	55%	0.551	33%	0.329	S	S	*	.	H	α-helix	trans	-67.2	-38.1	176.9	-171.7	63.1	177.8	-176.1	1.8	111.7	D162 E167 I168 V169	D162-R165 HydrophobicContact CB-CB 4.08Å; D162-R165 PolarHBondContact O-N 3.25Å; D162-R165 VanDerWaalsContact OD1-CB 3.24Å; D162-R165 WeakPolarHBondContact OD1-CB 3.44Å; D162-R165 PolarHBondContact OD1-N 2.95Å; D162-R165 VanDerWaalsContact OD2-CB 3.32Å; D162-R165 WeakPolarHBondContact OD2-CB 3.31Å; R165-E167 VanDerWaalsContact C-N 3.3Å; R165-E167 PolarHBondContact O-N 2.89Å; R165-I168 PolarHBondContact O-N 3.35Å; R165-V169 HydrophobicContact CG-CG2 4.37Å; R165-V169 VanDerWaalsContact O-CG2 3.31Å; R165-V169 WeakPolarHBondContact O-CG2 3.28Å; R165-V169 PolarHBondContact O-N 2.97Å
166	L	98.7	Very high	97.6	Very high	1 Å²	1	73 Å²	73	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-54.2	-48.6	172.7	-167.6	166.3	0	0	0	110.4	M118 Y152 I161 D162 Y163 I168 V169 A170 F194 I197	M118-L166 HydrophobicContact CE-CD2 4.47Å; M118-L166 HydrophobicContact CE-CG 4.42Å; Y152-L166 HydrophobicContact CD1-CD1 3.65Å; Y152-L166 HydrophobicContact CD1-CG 3.95Å; Y152-L166 HydrophobicContact CD2-CD1 3.65Å; Y152-L166 HydrophobicContact CD2-CG 4.35Å; Y152-L166 HydrophobicContact CE1-CD1 4Å; Y152-L166 HydrophobicContact CE2-CD1 4Å; Y152-L166 HydrophobicContact CG-CB 4.49Å; Y152-L166 HydrophobicContact CG-CD1 3.46Å; Y152-L166 VanDerWaalsContact CG-CD1 3.46Å; Y152-L166 HydrophobicContact CG-CG 3.75Å; I161-L166 HydrophobicContact CG2-CD1 4.48Å; D162-L166 WeakPolarHBondContact O-CB 3.19Å; D162-L166 PolarHBondContact O-N 3.05Å; Y163-L166 WeakPolarHBondContact O-CB 3.48Å; Y163-L166 PolarHBondContact O-N 3.27Å; L166-I168 PolarHBondContact O-N 3.02Å; L166-V169 PolarHBondContact O-N 3.47Å; L166-A170 WeakPolarHBondContact O-CB 3.38Å; L166-A170 PolarHBondContact O-N 3.03Å; L166-F194 HydrophobicContact CD1-CD1 4.17Å; L166-F194 HydrophobicContact CD1-CE1 3.51Å; L166-F194 HydrophobicContact CD1-CZ 4.07Å; L166-I197 HydrophobicContact CB-CD1 4.47Å; L166-I197 HydrophobicContact CD2-CB 4.32Å; L166-I197 HydrophobicContact CD2-CD1 3.77Å; L166-I197 HydrophobicContact CD2-CG2 3.63Å
167	E	98.6	Very high	97.8	Very high	35 Å²	35	69 Å²	69	16%	0.164	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-46.5	178.5	-172.4	177.4	176.5	0	0	112.4	Y163 E164 R165 V169 A170 R171 R193 I197	Y163-E167 PolarHBondContact O-N 3.12Å; E164-E167 PolarHBondContact O-N 3.22Å; R165-E167 VanDerWaalsContact C-N 3.3Å; R165-E167 PolarHBondContact O-N 2.89Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 2.85Å; E167-A170 PolarHBondContact O-N 3.22Å; E167-R171 WeakPolarHBondContact O-CG 3.21Å; E167-R171 PolarHBondContact O-N 3.35Å; E167-R171 IonicContact OE1-CZ 3.87Å; E167-R171 IonicContact OE1-NE 2.65Å; E167-R171 PolarHBondContact OE1-NE 2.9Å; E167-R171 VanDerWaalsContact OE1-NE 3.1Å; E167-R171 IonicContact OE1-NH2 3.19Å; E167-R171 PolarHBondContact OE1-NH2 3.46Å; E167-R193 IonicContact OE2-CZ 2.66Å; E167-R193 IonicContact OE2-NH1 2.94Å; E167-R193 PolarHBondContact OE2-NH1 3.33Å; E167-R193 IonicContact OE2-NH2 3.93Å; E167-R193 PolarHBondContact OE2-NH2 3.3Å; E167-I197 HydrophobicContact CB-CD1 3.9Å; E167-I197 HydrophobicContact CB-CG1 3.91Å; E167-I197 HydrophobicContact CB-CG2 4.33Å; E167-I197 HydrophobicContact CG-CG1 4.09Å; E167-I197 HydrophobicContact CG-CG2 4.38Å
168	I	98.5	Very high	98.1	Very high	97 Å²	97	59.9 Å²	59.9	50%	0.497	27%	0.274	S	S	.	.	H	α-helix	trans	-58.6	-47.2	178.2	-67.7	166.2	0	0	0	110.5	E164 R165 L166 R171 S172	E164-I168 WeakPolarHBondContact O-CG1 3.48Å; E164-I168 PolarHBondContact O-N 3.23Å; E164-I168 VanDerWaalsContact O-N 3.11Å; R165-I168 PolarHBondContact O-N 3.35Å; L166-I168 PolarHBondContact O-N 3.02Å; I168-R171 PolarHBondContact O-N 3.23Å; I168-S172 PolarHBondContact O-N 3.25Å; I168-S172 PolarHBondContact O-OG 3.39Å
169	V	98.4	Very high	98.3	Very high	27 Å²	27	56.8 Å²	56.8	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-43.7	179.1	176.5	0	0	0	0	110.3	M118 V150 R165 L166 E167 R171 S172 F173	M118-V169 HydrophobicContact CE-CB 3.87Å; M118-V169 HydrophobicContact CE-CG1 3.54Å; M118-V169 HydrophobicContact SD-CG1 4.13Å; V150-V169 HydrophobicContact CG1-CG1 3.78Å; R165-V169 HydrophobicContact CG-CG2 4.37Å; R165-V169 VanDerWaalsContact O-CG2 3.31Å; R165-V169 WeakPolarHBondContact O-CG2 3.28Å; R165-V169 PolarHBondContact O-N 2.97Å; L166-V169 PolarHBondContact O-N 3.47Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 2.85Å; V169-R171 PolarHBondContact O-N 3.1Å; V169-S172 PolarHBondContact O-N 2.85Å; V169-S172 PolarHBondContact O-OG 2.96Å; V169-F173 HydrophobicContact CG1-CB 4.48Å; V169-F173 VanDerWaalsContact O-CB 3.25Å; V169-F173 WeakPolarHBondContact O-CB 3.5Å; V169-F173 PolarHBondContact O-N 3.19Å
170	A	98.6	Very high	98.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-44.2	178.8	0	0	0	0	0	112.4	M118 L166 E167 S172 R174 P175 I178 I197 V201	M118-A170 HydrophobicContact CE-CB 4.39Å; M118-A170 VanDerWaalsContact SD-CA 3.59Å; M118-A170 HydrophobicContact SD-CB 3.91Å; L166-A170 WeakPolarHBondContact O-CB 3.38Å; L166-A170 PolarHBondContact O-N 3.03Å; E167-A170 PolarHBondContact O-N 3.22Å; A170-S172 VanDerWaalsContact C-N 3.34Å; A170-S172 PolarHBondContact O-N 3.48Å; A170-R174 WeakPolarHBondContact O-CA 3.25Å; A170-R174 PolarHBondContact O-N 3.29Å; A170-P175 HydrophobicContact CB-CG 4.3Å; A170-P175 WeakPolarHBondContact O-CD 3.46Å; A170-I178 HydrophobicContact CB-CD1 4.29Å; A170-I197 HydrophobicContact CB-CG2 3.75Å; A170-V201 HydrophobicContact CB-CG1 4.22Å; A170-V201 HydrophobicContact CB-CG2 4.46Å
171	R	98	Very high	98.5	Very high	141 Å²	141	51.7 Å²	51.7	53%	0.532	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-39	178.9	-71.9	175.9	-178.8	-104.2	3.8	112.9	E167 I168 V169 V201	E167-R171 WeakPolarHBondContact O-CG 3.21Å; E167-R171 PolarHBondContact O-N 3.35Å; E167-R171 IonicContact OE1-CZ 3.87Å; E167-R171 IonicContact OE1-NE 2.65Å; E167-R171 PolarHBondContact OE1-NE 2.9Å; E167-R171 VanDerWaalsContact OE1-NE 3.1Å; E167-R171 IonicContact OE1-NH2 3.19Å; E167-R171 PolarHBondContact OE1-NH2 3.46Å; I168-R171 PolarHBondContact O-N 3.23Å; V169-R171 PolarHBondContact O-N 3.1Å; R171-V201 HydrophobicContact CG-CG1 4.2Å
172	S	97.7	Very high	98.5	Very high	93 Å²	93	52.2 Å²	52.2	65%	0.65	24%	0.238	S	C	*	.	H	α-helix	trans	-77.9	-42.4	178.9	66.4	0	0	0	0	112.9	I168 V169 A170	I168-S172 PolarHBondContact O-N 3.25Å; I168-S172 PolarHBondContact O-OG 3.39Å; V169-S172 PolarHBondContact O-N 2.85Å; V169-S172 PolarHBondContact O-OG 2.96Å; A170-S172 VanDerWaalsContact C-N 3.34Å; A170-S172 PolarHBondContact O-N 3.48Å
173	F	98.3	Very high	98.4	Very high	35 Å²	35	50.3 Å²	50.3	15%	0.154	23%	0.23	C	C	.	.	H	α-helix	trans	-80.9	-25	-176.7	-175.6	-120.5	0	0	0	112.9	R116 M118 E148 V150 V169 P175	R116-F173 HydrophobicContact CB-CD1 4.31Å; R116-F173 HydrophobicContact CB-CE1 3.62Å; R116-F173 HydrophobicContact CB-CE2 4.45Å; R116-F173 HydrophobicContact CB-CZ 3.69Å; R116-F173 WeakPolarHBondContact CD-O 3.39Å; R116-F173 HydrophobicContact CG-CE1 4.15Å; R116-F173 HydrophobicContact CG-CE2 4.08Å; R116-F173 HydrophobicContact CG-CZ 3.73Å; R116-F173 PolarHBondContact NH1-O 3.47Å; M118-F173 HydrophobicContact CG-CD1 3.7Å; M118-F173 HydrophobicContact CG-CE1 4.06Å; M118-F173 HydrophobicContact SD-CD1 4.03Å; E148-F173 HydrophobicContact CB-CZ 4.42Å; E148-F173 WeakPolarHBondContact O-CZ 3.49Å; V150-F173 HydrophobicContact CB-CD1 3.98Å; V150-F173 HydrophobicContact CB-CD2 4.29Å; V150-F173 HydrophobicContact CB-CE1 3.85Å; V150-F173 HydrophobicContact CB-CE2 4.2Å; V150-F173 HydrophobicContact CB-CG 4.19Å; V150-F173 HydrophobicContact CB-CZ 3.98Å; V150-F173 HydrophobicContact CG2-CD1 4.21Å; V150-F173 HydrophobicContact CG2-CD2 3.66Å; V150-F173 HydrophobicContact CG2-CE1 3.94Å; V150-F173 HydrophobicContact CG2-CE2 3.39Å; V150-F173 HydrophobicContact CG2-CG 4.07Å; V150-F173 HydrophobicContact CG2-CZ 3.54Å; V169-F173 HydrophobicContact CG1-CB 4.48Å; V169-F173 VanDerWaalsContact O-CB 3.25Å; V169-F173 WeakPolarHBondContact O-CB 3.5Å; V169-F173 PolarHBondContact O-N 3.19Å; F173-P175 HydrophobicContact CD1-CB 4.3Å
174	R	97.9	Very high	98.4	Very high	184 Å²	184	49.5 Å²	49.5	69%	0.694	23%	0.228	S	C	*	.			trans	49.8	64.2	-177.4	-57.4	-165.1	-178.4	-150	2.9	112.5	A170	A170-R174 WeakPolarHBondContact O-CA 3.25Å; A170-R174 PolarHBondContact O-N 3.29Å
175	P	98.5	Very high	98.4	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.019	20%	0.203	C	C	.	.			trans	-61.1	146.2	176.4	28.8	-35.1	0	0	0	110.7	M118 A170 F173 I178 V201 A203	M118-P175 HydrophobicContact CB-CB 4.39Å; M118-P175 HydrophobicContact CG-CB 3.97Å; M118-P175 HydrophobicContact CG-CG 4.19Å; M118-P175 HydrophobicContact SD-CB 4.2Å; M118-P175 HydrophobicContact SD-CG 3.76Å; A170-P175 HydrophobicContact CB-CG 4.3Å; A170-P175 WeakPolarHBondContact O-CD 3.46Å; F173-P175 HydrophobicContact CD1-CB 4.3Å; P175-I178 HydrophobicContact CB-CG1 4.16Å; P175-I178 HydrophobicContact CG-CD1 3.95Å; P175-I178 HydrophobicContact CG-CG1 3.68Å; P175-V201 HydrophobicContact CG-CG2 4.01Å; P175-A203 HydrophobicContact CG-CB 4.41Å; P175-A203 WeakPolarHBondContact O-CB 3.45Å
176	K	98.2	Very high	98.4	Very high	114 Å²	114	37.4 Å²	37.4	50%	0.496	18%	0.178	S	C	.	.	S	Bend	trans	-80.3	-25.4	163.9	-71.6	-168.5	177.4	-177	0	111.6	V111 R116 A203 V204	V111-K176 HydrophobicContact CG1-CB 4.31Å; V111-K176 HydrophobicContact CG1-CD 4.41Å; V111-K176 WeakPolarHBondContact O-CD 3.47Å; V111-K176 PolarHBondContact O-NZ 2.94Å; R116-K176 PolarHBondContact O-N 3.43Å; K176-A203 WeakPolarHBondContact O-CA 3.39Å; K176-V204 PolarHBondContact O-N 3.15Å
177	L	98.6	Very high	98.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	134.9	-179.2	-175.6	151.2	0	0	0	110.9	I106 Y107 V111 R116 I117 M118 V179 V204 L206	I106-L177 HydrophobicContact CG2-CD1 4.08Å; Y107-L177 HydrophobicContact CD1-CD1 4.19Å; Y107-L177 HydrophobicContact CD1-CD2 4.3Å; Y107-L177 HydrophobicContact CE1-CD1 4.44Å; Y107-L177 HydrophobicContact CE1-CD2 3.9Å; V111-L177 HydrophobicContact CG2-CB 3.6Å; V111-L177 HydrophobicContact CG2-CD1 3.85Å; V111-L177 HydrophobicContact CG2-CG 4.33Å; R116-L177 PolarHBondContact O-N 2.94Å; I117-L177 WeakPolarHBondContact CA-O 3.12Å; I117-L177 HydrophobicContact CG2-CD2 4.14Å; M118-L177 PolarHBondContact N-O 3.33Å; L177-V179 HydrophobicContact CD2-CG2 3.52Å; L177-V204 CarbonylContact C-O 3.53Å; L177-V204 VanDerWaalsContact CA-O 3.24Å; L177-V204 WeakPolarHBondContact CA-O 3.42Å; L177-V204 HydrophobicContact CB-CB 4.33Å; L177-V204 HydrophobicContact CD1-CB 4.2Å; L177-V204 HydrophobicContact CD1-CG1 4.01Å; L177-V204 HydrophobicContact CG-CB 4.2Å; L177-V204 HydrophobicContact CG-CG1 4.33Å; L177-L206 HydrophobicContact CD1-CB 4.2Å; L177-L206 HydrophobicContact CD2-CB 3.86Å; L177-L206 HydrophobicContact CD2-CD2 4.23Å; L177-L206 HydrophobicContact CG-CB 4.18Å
178	I	98.9	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.8	172	-58.6	-179.6	0	0	0	107.9	M118 A170 P175 F194 I197 A198 V201 A203 V204 L205 L206	M118-I178 HydrophobicContact CB-CG1 4.42Å; M118-I178 CarbonylContact O-C 3.6Å; M118-I178 WeakPolarHBondContact O-CA 3.39Å; A170-I178 HydrophobicContact CB-CD1 4.29Å; P175-I178 HydrophobicContact CB-CG1 4.16Å; P175-I178 HydrophobicContact CG-CD1 3.95Å; P175-I178 HydrophobicContact CG-CG1 3.68Å; I178-F194 HydrophobicContact CG2-CD1 3.98Å; I178-F194 HydrophobicContact CG2-CE1 4.16Å; I178-I197 HydrophobicContact CD1-CG2 4.04Å; I178-A198 HydrophobicContact CD1-CB 4.15Å; I178-V201 HydrophobicContact CD1-CG2 4.32Å; I178-A203 HydrophobicContact CD1-CB 4.36Å; I178-A203 HydrophobicContact CG1-CB 4.07Å; I178-V204 PolarHBondContact N-O 2.91Å; I178-L205 HydrophobicContact CB-CD1 4.48Å; I178-L205 HydrophobicContact CG2-CD1 4.48Å; I178-L206 PolarHBondContact O-N 3.38Å
179	V	98.9	Very high	98.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.6	177.2	-171.2	0	0	0	0	109.9	Y107 I117 M118 Y152 L177 L206 D208	Y107-V179 HydrophobicContact CE1-CG2 4.35Å; I117-V179 HydrophobicContact CG2-CG2 4.14Å; M118-V179 PolarHBondContact O-N 2.93Å; Y152-V179 VanDerWaalsContact CE1-O 3.3Å; Y152-V179 WeakPolarHBondContact CE1-O 3.45Å; Y152-V179 PolarHBondContact OH-O 3.19Å; L177-V179 HydrophobicContact CD2-CG2 3.52Å; V179-L206 CarbonylContact C-O 3.52Å; V179-L206 VanDerWaalsContact CA-O 3.32Å; V179-L206 WeakPolarHBondContact CA-O 3.44Å; V179-L206 HydrophobicContact CG1-CD2 4.46Å; V179-L206 HydrophobicContact CG1-CG 4.45Å; V179-L206 HydrophobicContact CG2-CD2 4.22Å; V179-D208 HydrophobicContact CG1-CB 4.26Å
180	A	98.9	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	87.5	168.1	0	0	0	0	0	109.3	L189 Y191 F194 L205 L206 A207 D208	A180-L189 HydrophobicContact CB-CD1 4.18Å; A180-Y191 HydrophobicContact CB-CD1 4.24Å; A180-Y191 HydrophobicContact CB-CE1 4.13Å; A180-F194 HydrophobicContact CB-CB 4.41Å; A180-F194 HydrophobicContact CB-CD1 3.89Å; A180-F194 HydrophobicContact CB-CD2 3.71Å; A180-F194 HydrophobicContact CB-CE1 3.98Å; A180-F194 HydrophobicContact CB-CE2 3.83Å; A180-F194 HydrophobicContact CB-CG 3.76Å; A180-F194 HydrophobicContact CB-CZ 3.97Å; A180-L205 HydrophobicContact CB-CD1 3.98Å; A180-L206 PolarHBondContact N-O 2.98Å; A180-A207 VanDerWaalsContact O-CA 3.3Å; A180-A207 WeakPolarHBondContact O-CA 3.42Å; A180-D208 PolarHBondContact O-N 2.63Å; A180-D208 VanDerWaalsContact O-N 3.14Å
181	G	98.6	Very high	98.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	153.4	-178.9	0	0	0	0	0	112.3	H130 D208	H130-G181 PolarHBondContact CE1-O 3.37Å; G181-D208 VanDerWaalsContact CA-O 3.25Å; G181-D208 WeakPolarHBondContact CA-O 3.42Å
182	T	98.5	Very high	98.3	Very high	18 Å²	18	34.5 Å²	34.5	11%	0.11	17%	0.172	C	C	.	.			trans	-144.8	153.4	-166.4	64.3	0	0	0	0	112	L120 G125 Y185 L189	L120-T182 HydrophobicContact CD2-CG2 3.66Å; G125-T182 CarbonylContact O-C 3.56Å; T182-Y185 HydrophobicContact CG2-CD1 4.21Å; T182-Y185 HydrophobicContact CG2-CG 4.12Å; T182-L189 HydrophobicContact CG2-CD1 4.4Å; T182-L189 HydrophobicContact CG2-CD2 4Å
183	S	97.7	Very high	98.3	Very high	17 Å²	17	31.8 Å²	31.8	12%	0.119	15%	0.148	C	C	.	.	S	Bend	trans	-106.4	-30.8	167.6	-68.4	0	0	0	0	113.7	G125 H127 R387	G125-S183 PolarHBondContact O-N 2.65Å; H127-S183 WeakPolarHBondContact CB-OG 3.41Å; H127-S183 PolarHBondContact CD2-OG 3.45Å; S183-R387 PolarHBondContact O-NH1 2.86Å
184	A	97.6	Very high	98.3	Very high	7 Å²	7	30.1 Å²	30.1	6%	0.058	14%	0.141	C	C	.	.	S	Bend	trans	-137.4	55.8	-176.6	0	0	0	0	0	111.8	G125 N372	G125-A184 PolarHBondContact O-N 2.99Å; A184-N372 WeakPolarHBondContact CB-ND2 3.34Å; A184-N372 WeakPolarHBondContact CB-OD1 3.32Å
185	Y	98.4	Very high	98.3	Very high	9 Å²	9	21.5 Å²	21.5	4%	0.035	11%	0.108	C	C	.	.			trans	-126.3	122.1	176.4	-169.7	-112.4	0	0	0	109.4	V154 G159 I161 T182 R187 L189	V154-Y185 HydrophobicContact CG1-CE2 4.18Å; G159-Y185 WeakPolarHBondContact O-CE2 3.46Å; I161-Y185 HydrophobicContact CD1-CD1 4.5Å; I161-Y185 HydrophobicContact CD1-CE1 4.07Å; I161-Y185 HydrophobicContact CD1-CE2 4.4Å; I161-Y185 HydrophobicContact CG1-CE1 4.43Å; I161-Y185 HydrophobicContact CG1-CE2 3.97Å; I161-Y185 PolarHBondContact N-OH 3.44Å; T182-Y185 HydrophobicContact CG2-CD1 4.21Å; T182-Y185 HydrophobicContact CG2-CG 4.12Å; Y185-R187 VanDerWaalsContact C-N 3.31Å; Y185-R187 HydrophobicContact CD1-CB 4.16Å; Y185-R187 WeakPolarHBondContact CD1-O 3.47Å; Y185-R187 HydrophobicContact CE1-CB 3.55Å; Y185-R187 WeakPolarHBondContact CE1-O 3.43Å; Y185-R187 PolarHBondContact O-N 3.24Å; Y185-L189 HydrophobicContact CD1-CD2 3.88Å; Y185-L189 HydrophobicContact CE1-CD2 3.82Å
186	A	98.3	Very high	98.2	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.033	13%	0.13	C	C	.	.			trans	-87.9	2.7	-169.6	0	0	0	0	0	113.7	G338 S339 D340 L343	A186-G338 WeakPolarHBondContact CB-O 3.02Å; A186-S339 CarbonylContact O-C 3.55Å; A186-S339 WeakPolarHBondContact O-CA 3.3Å; A186-S339 PolarHBondContact O-OG 2.78Å; A186-D340 PolarHBondContact O-N 3.36Å; A186-L343 HydrophobicContact CB-CD1 4.12Å
187	R	98.6	Very high	98.1	Very high	32 Å²	32	21 Å²	21	12%	0.121	11%	0.107	C	C	.	.	S	Bend	trans	-118.8	159.8	-172.5	-56.3	-62.2	179.9	177.4	0.5	111.7	W160 Y185 T336 D340	W160-R187 HydrophobicContact CD2-CG 4.46Å; W160-R187 HydrophobicContact CE3-CB 4.24Å; W160-R187 HydrophobicContact CE3-CG 4.12Å; W160-R187 HydrophobicContact CH2-CB 4.04Å; W160-R187 HydrophobicContact CH2-CG 3.61Å; W160-R187 HydrophobicContact CZ2-CG 3.97Å; W160-R187 HydrophobicContact CZ3-CB 3.7Å; W160-R187 HydrophobicContact CZ3-CG 3.68Å; Y185-R187 VanDerWaalsContact C-N 3.31Å; Y185-R187 HydrophobicContact CD1-CB 4.16Å; Y185-R187 WeakPolarHBondContact CD1-O 3.47Å; Y185-R187 HydrophobicContact CE1-CB 3.55Å; Y185-R187 WeakPolarHBondContact CE1-O 3.43Å; Y185-R187 PolarHBondContact O-N 3.24Å; R187-T336 HydrophobicContact CG-CG2 3.99Å; R187-T336 PolarHBondContact NE-OG1 2.71Å; R187-T336 PolarHBondContact NH2-O 2.8Å; R187-D340 WeakPolarHBondContact CD-OD2 3.47Å; R187-D340 IonicContact CZ-OD2 2.96Å; R187-D340 IonicContact NE-OD2 2.69Å; R187-D340 IonicContact NH1-OD1 3.14Å; R187-D340 PolarHBondContact NH1-OD1 3.02Å; R187-D340 VanDerWaalsContact NH1-OD1 3.09Å; R187-D340 IonicContact NH1-OD2 3.75Å; R187-D340 PolarHBondContact NH1-OD2 2.98Å
188	H	98.4	Very high	98	Very high	65 Å²	65	21 Å²	21	30%	0.301	11%	0.107	S	C	.	.			trans	-64.2	147.7	169.7	-63.5	164.2	0	0	0	110.9	H221 P222 D340	H188-H221 AromaticContact CD2-CD2 3.29Å; H188-H221 PolarHBondContact CD2-CD2 2.94Å; H188-H221 AromaticContact CD2-CE1 3.91Å; H188-H221 AromaticContact CD2-NE2 3.18Å; H188-H221 PolarHBondContact CD2-NE2 3.41Å; H188-H221 AromaticContact CG-NE2 3.98Å; H188-H221 AromaticContact NE2-CD2 3.51Å; H188-H221 AromaticContact NE2-NE2 3.91Å; H188-P222 HydrophobicContact CB-CG 4.34Å; H188-P222 VanDerWaalsContact CE1-CD 3.49Å; H188-P222 WeakPolarHBondContact CE1-CD 3.37Å; H188-D340 PolarHBondContact NE2-O 3.31Å
189	L	98.6	Very high	97.8	Very high	13 Å²	13	21.9 Å²	21.9	7%	0.068	11%	0.112	C	C	.	.			trans	-85.6	141.3	170.4	-61.7	-177.8	0	0	0	110.3	I161 A180 T182 Y185 Y191 F194	I161-L189 HydrophobicContact CD1-CD2 3.4Å; I161-L189 VanDerWaalsContact CD1-CD2 3.4Å; A180-L189 HydrophobicContact CB-CD1 4.18Å; T182-L189 HydrophobicContact CG2-CD1 4.4Å; T182-L189 HydrophobicContact CG2-CD2 4Å; Y185-L189 HydrophobicContact CD1-CD2 3.88Å; Y185-L189 HydrophobicContact CE1-CD2 3.82Å; L189-Y191 VanDerWaalsContact C-N 3.27Å; L189-Y191 HydrophobicContact CB-CD1 4.29Å; L189-Y191 HydrophobicContact CB-CE1 3.94Å; L189-Y191 HydrophobicContact CB-CE2 4.33Å; L189-Y191 HydrophobicContact CD1-CE1 3.96Å; L189-Y191 PolarHBondContact O-N 3.21Å; L189-F194 HydrophobicContact CB-CE2 4.18Å; L189-F194 HydrophobicContact CD1-CE2 4.38Å; L189-F194 HydrophobicContact CD2-CE2 4.27Å
190	D	98.4	Very high	97.6	Very high	70 Å²	70	24.3 Å²	24.3	37%	0.374	13%	0.129	S	C	.	.			trans	-81.7	77.3	171.6	-168.8	-21	0	0	0	109.3	Y163 P192 R193 F194	Y163-D190 HydrophobicContact CE1-CB 3.96Å; Y163-D190 HydrophobicContact CE2-CB 4.13Å; Y163-D190 PolarHBondContact OH-N 3.08Å; D190-P192 VanDerWaalsContact C-CD 3.47Å; D190-P192 WeakPolarHBondContact OD1-CD 3.15Å; D190-P192 WeakPolarHBondContact OD1-CG 3.28Å; D190-R193 HydrophobicContact CB-CB 3.9Å; D190-R193 PolarHBondContact O-N 3.43Å; D190-R193 VanDerWaalsContact O-N 3.11Å; D190-R193 WeakPolarHBondContact OD1-CB 3.25Å; D190-R193 PolarHBondContact OD1-N 2.78Å; D190-F194 WeakPolarHBondContact O-CD2 3.38Å; D190-F194 PolarHBondContact O-N 2.91Å
191	Y	98.1	Very high	97.5	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-56.2	-39.3	176.7	-62.5	-62.5	0	0	0	114.2	A180 L189 R193 F194 R195 A207 I212 P222 P224 Y227	A180-Y191 HydrophobicContact CB-CD1 4.24Å; A180-Y191 HydrophobicContact CB-CE1 4.13Å; L189-Y191 VanDerWaalsContact C-N 3.27Å; L189-Y191 HydrophobicContact CB-CD1 4.29Å; L189-Y191 HydrophobicContact CB-CE1 3.94Å; L189-Y191 HydrophobicContact CB-CE2 4.33Å; L189-Y191 HydrophobicContact CD1-CE1 3.96Å; L189-Y191 PolarHBondContact O-N 3.21Å; Y191-R193 VanDerWaalsContact C-N 3.31Å; Y191-R193 PolarHBondContact O-N 2.82Å; Y191-F194 PolarHBondContact O-N 2.82Å; Y191-R195 WeakPolarHBondContact O-CB 3.34Å; Y191-R195 PolarHBondContact O-N 2.99Å; Y191-A207 HydrophobicContact CE1-CB 4.3Å; Y191-I212 WeakPolarHBondContact OH-CD1 3.35Å; Y191-P222 HydrophobicContact CD2-CB 4.48Å; Y191-P224 HydrophobicContact CD1-CB 4.19Å; Y191-P224 HydrophobicContact CD2-CB 4.48Å; Y191-P224 HydrophobicContact CE1-CB 3.79Å; Y191-P224 HydrophobicContact CE2-CB 4.08Å; Y191-Y227 HydrophobicContact CG-CD2 4.39Å
192	P	97.4	Very high	97.2	Very high	55 Å²	55	30.2 Å²	30.2	36%	0.357	17%	0.169	S	C	.	.	H	α-helix	trans	-53.5	-46.6	169.8	-19.6	22.5	0	0	0	112.9	D190 R195 Q196 Y227	D190-P192 VanDerWaalsContact C-CD 3.47Å; D190-P192 WeakPolarHBondContact OD1-CD 3.15Å; D190-P192 WeakPolarHBondContact OD1-CG 3.28Å; P192-R195 WeakPolarHBondContact O-CB 3.27Å; P192-R195 PolarHBondContact O-N 3.26Å; P192-Q196 PolarHBondContact O-N 3.47Å; P192-Y227 HydrophobicContact CB-CE1 4Å; P192-Y227 HydrophobicContact CG-CE1 3.9Å; P192-Y227 HydrophobicContact CG-CE2 3.98Å
193	R	98.1	Very high	97.1	Very high	37 Å²	37	29.7 Å²	29.7	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-67.4	-42.7	179.9	-174.7	57.1	170.6	136	9.4	112.4	Y163 E167 D190 Y191 R195 Q196 I197	Y163-R193 HydrophobicContact CD1-CB 4.17Å; Y163-R193 HydrophobicContact CD1-CG 3.7Å; Y163-R193 HydrophobicContact CG-CG 3.86Å; E167-R193 IonicContact OE2-CZ 2.66Å; E167-R193 IonicContact OE2-NH1 2.94Å; E167-R193 PolarHBondContact OE2-NH1 3.33Å; E167-R193 IonicContact OE2-NH2 3.93Å; E167-R193 PolarHBondContact OE2-NH2 3.3Å; D190-R193 HydrophobicContact CB-CB 3.9Å; D190-R193 PolarHBondContact O-N 3.43Å; D190-R193 VanDerWaalsContact O-N 3.11Å; D190-R193 WeakPolarHBondContact OD1-CB 3.25Å; D190-R193 PolarHBondContact OD1-N 2.78Å; Y191-R193 VanDerWaalsContact C-N 3.31Å; Y191-R193 PolarHBondContact O-N 2.82Å; R193-R195 PolarHBondContact O-N 2.85Å; R193-Q196 PolarHBondContact O-N 3.03Å; R193-I197 HydrophobicContact CG-CD1 4.13Å; R193-I197 VanDerWaalsContact O-CG1 3.31Å; R193-I197 WeakPolarHBondContact O-CG1 3.31Å; R193-I197 PolarHBondContact O-N 2.77Å; R193-I197 VanDerWaalsContact O-N 3.08Å
194	F	98.3	Very high	97.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55.9	-42.3	171.9	-89	-71.7	0	0	0	112.2	Y152 I161 Y163 L166 I178 A180 L189 D190 Y191 I197 A198 L205	Y152-F194 HydrophobicContact CE1-CE1 4.01Å; Y152-F194 HydrophobicContact CE1-CZ 4.47Å; Y152-F194 HydrophobicContact CE2-CE1 4.32Å; Y152-F194 HydrophobicContact CE2-CZ 4.04Å; Y152-F194 AromaticContact CZ-CE1 3.73Å; Y152-F194 AromaticContact CZ-CZ 3.74Å; Y152-F194 WeakPolarHBondContact OH-CZ 3.4Å; I161-F194 HydrophobicContact CD1-CZ 4.49Å; Y163-F194 AromaticContact CE1-CD2 3.81Å; Y163-F194 HydrophobicContact CE1-CD2 3.81Å; Y163-F194 AromaticContact CE1-CE2 3.52Å; Y163-F194 HydrophobicContact CE1-CE2 3.52Å; Y163-F194 HydrophobicContact CE1-CZ 4.04Å; L166-F194 HydrophobicContact CD1-CD1 4.17Å; L166-F194 HydrophobicContact CD1-CE1 3.51Å; L166-F194 HydrophobicContact CD1-CZ 4.07Å; I178-F194 HydrophobicContact CG2-CD1 3.98Å; I178-F194 HydrophobicContact CG2-CE1 4.16Å; A180-F194 HydrophobicContact CB-CB 4.41Å; A180-F194 HydrophobicContact CB-CD1 3.89Å; A180-F194 HydrophobicContact CB-CD2 3.71Å; A180-F194 HydrophobicContact CB-CE1 3.98Å; A180-F194 HydrophobicContact CB-CE2 3.83Å; A180-F194 HydrophobicContact CB-CG 3.76Å; A180-F194 HydrophobicContact CB-CZ 3.97Å; L189-F194 HydrophobicContact CB-CE2 4.18Å; L189-F194 HydrophobicContact CD1-CE2 4.38Å; L189-F194 HydrophobicContact CD2-CE2 4.27Å; D190-F194 WeakPolarHBondContact O-CD2 3.38Å; D190-F194 PolarHBondContact O-N 2.91Å; Y191-F194 PolarHBondContact O-N 2.82Å; F194-I197 PolarHBondContact O-N 3.13Å; F194-A198 WeakPolarHBondContact O-CB 3.24Å; F194-A198 PolarHBondContact O-N 3.42Å; F194-L205 HydrophobicContact CB-CD1 3.9Å; F194-L205 HydrophobicContact CB-CD2 4.03Å; F194-L205 HydrophobicContact CD1-CD1 4.27Å; F194-L205 HydrophobicContact CG-CD1 4.37Å
195	R	96.4	Very high	97.1	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.011	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-53	179	-174.2	62.3	-91.7	163.9	2.3	111.7	Y191 P192 R193 I197 A198 D199 A203 L205 Y227 D229 R254 V260	Y191-R195 WeakPolarHBondContact O-CB 3.34Å; Y191-R195 PolarHBondContact O-N 2.99Å; P192-R195 WeakPolarHBondContact O-CB 3.27Å; P192-R195 PolarHBondContact O-N 3.26Å; R193-R195 PolarHBondContact O-N 2.85Å; R195-I197 PolarHBondContact O-N 3.18Å; R195-A198 PolarHBondContact O-N 3.47Å; R195-A198 VanDerWaalsContact O-N 3.14Å; R195-D199 WeakPolarHBondContact CG-OD2 3.32Å; R195-D199 IonicContact CZ-OD1 3.98Å; R195-D199 IonicContact CZ-OD2 3.14Å; R195-D199 VanDerWaalsContact NE-CG 3.28Å; R195-D199 IonicContact NE-OD1 3.62Å; R195-D199 PolarHBondContact NE-OD1 3.37Å; R195-D199 IonicContact NE-OD2 2.8Å; R195-D199 PolarHBondContact NE-OD2 3.37Å; R195-D199 IonicContact NH2-OD1 3.67Å; R195-D199 PolarHBondContact NH2-OD1 3.39Å; R195-D199 VanDerWaalsContact O-CG 3.28Å; R195-D199 PolarHBondContact O-N 3.18Å; R195-D199 VanDerWaalsContact O-OD2 3.04Å; R195-A203 PolarHBondContact NH2-O 3.35Å; R195-A203 VanDerWaalsContact NH2-O 3.14Å; R195-L205 HydrophobicContact CB-CD2 4.29Å; R195-Y227 HydrophobicContact CB-CD1 4.21Å; R195-Y227 WeakPolarHBondContact CD-O 3.41Å; R195-Y227 HydrophobicContact CG-CD1 4.48Å; R195-Y227 PolarHBondContact NH1-O 3.37Å; R195-D229 IonicContact CZ-OD2 2.75Å; R195-D229 IonicContact NH1-OD1 3.17Å; R195-D229 IonicContact NH1-OD2 3.93Å; R195-D229 PolarHBondContact NH1-OD2 2.82Å; R195-D229 IonicContact NH2-OD2 3Å; R195-R254 VanDerWaalsContact NE-NH2 3.12Å; R195-R254 VanDerWaalsContact NH1-CZ 3.34Å; R195-R254 VanDerWaalsContact NH1-NH1 3.11Å; R195-V260 HydrophobicContact CG-CG1 3.73Å
196	Q	96.5	Very high	97.2	Very high	105 Å²	105	29.2 Å²	29.2	49%	0.491	16%	0.163	S	C	.	.	H	α-helix	trans	-52.7	-44.6	177.6	-173.6	-170.4	25.5	0	0	111.7	P192 R193 D199 S200	P192-Q196 PolarHBondContact O-N 3.47Å; R193-Q196 PolarHBondContact O-N 3.03Å; Q196-D199 PolarHBondContact O-N 3.39Å; Q196-S200 PolarHBondContact O-N 3.13Å
197	I	97.4	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.7	-47.3	-180	-62.8	168.4	0	0	0	110.6	L166 E167 A170 I178 R193 F194 R195 D199 S200 V201	L166-I197 HydrophobicContact CB-CD1 4.47Å; L166-I197 HydrophobicContact CD2-CB 4.32Å; L166-I197 HydrophobicContact CD2-CD1 3.77Å; L166-I197 HydrophobicContact CD2-CG2 3.63Å; E167-I197 HydrophobicContact CB-CD1 3.9Å; E167-I197 HydrophobicContact CB-CG1 3.91Å; E167-I197 HydrophobicContact CB-CG2 4.33Å; E167-I197 HydrophobicContact CG-CG1 4.09Å; E167-I197 HydrophobicContact CG-CG2 4.38Å; A170-I197 HydrophobicContact CB-CG2 3.75Å; I178-I197 HydrophobicContact CD1-CG2 4.04Å; R193-I197 HydrophobicContact CG-CD1 4.13Å; R193-I197 VanDerWaalsContact O-CG1 3.31Å; R193-I197 WeakPolarHBondContact O-CG1 3.31Å; R193-I197 PolarHBondContact O-N 2.77Å; R193-I197 VanDerWaalsContact O-N 3.08Å; F194-I197 PolarHBondContact O-N 3.13Å; R195-I197 PolarHBondContact O-N 3.18Å; I197-D199 VanDerWaalsContact C-N 3.27Å; I197-D199 PolarHBondContact O-N 3.39Å; I197-S200 PolarHBondContact O-N 3.35Å; I197-S200 PolarHBondContact O-OG 2.82Å; I197-V201 PolarHBondContact O-N 3.29Å
198	A	96.7	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-40.1	178.6	0	0	0	0	0	111.5	I178 F194 R195 V201 S202 A203 L205	I178-A198 HydrophobicContact CD1-CB 4.15Å; F194-A198 WeakPolarHBondContact O-CB 3.24Å; F194-A198 PolarHBondContact O-N 3.42Å; R195-A198 PolarHBondContact O-N 3.47Å; R195-A198 VanDerWaalsContact O-N 3.14Å; A198-V201 CarbonylContact O-C 3.45Å; A198-V201 PolarHBondContact O-N 3.11Å; A198-S202 PolarHBondContact O-N 3.4Å; A198-A203 HydrophobicContact CB-CB 4.35Å; A198-A203 PolarHBondContact O-N 3.29Å; A198-L205 HydrophobicContact CB-CB 4.19Å
199	D	93.5	Very high	97.2	Very high	19 Å²	19	25 Å²	25	10%	0.102	14%	0.144	C	C	.	.	H	α-helix	trans	-66.9	-40.9	176.4	-66	-26.8	0	0	0	113.1	R195 Q196 I197 V201 S202 R254 V260 E261 N262	R195-D199 WeakPolarHBondContact CG-OD2 3.32Å; R195-D199 IonicContact CZ-OD1 3.98Å; R195-D199 IonicContact CZ-OD2 3.14Å; R195-D199 VanDerWaalsContact NE-CG 3.28Å; R195-D199 IonicContact NE-OD1 3.62Å; R195-D199 PolarHBondContact NE-OD1 3.37Å; R195-D199 IonicContact NE-OD2 2.8Å; R195-D199 PolarHBondContact NE-OD2 3.37Å; R195-D199 IonicContact NH2-OD1 3.67Å; R195-D199 PolarHBondContact NH2-OD1 3.39Å; R195-D199 VanDerWaalsContact O-CG 3.28Å; R195-D199 PolarHBondContact O-N 3.18Å; R195-D199 VanDerWaalsContact O-OD2 3.04Å; Q196-D199 PolarHBondContact O-N 3.39Å; I197-D199 VanDerWaalsContact C-N 3.27Å; I197-D199 PolarHBondContact O-N 3.39Å; D199-V201 PolarHBondContact O-N 2.89Å; D199-S202 PolarHBondContact O-N 3.47Å; D199-R254 IonicContact OD1-NH2 3.85Å; D199-V260 WeakPolarHBondContact OD2-CG1 3.27Å; D199-E261 WeakPolarHBondContact CB-O 3.21Å; D199-N262 VanDerWaalsContact CG-OD1 3.23Å; D199-N262 PolarHBondContact OD1-OD1 3.35Å; D199-N262 PolarHBondContact OD2-OD1 3.13Å
200	S	95.6	Very high	97.2	Very high	52 Å²	52	24.9 Å²	24.9	36%	0.364	14%	0.144	S	C	.	.	H	α-helix	trans	-59.1	-20.3	178.2	79.2	0	0	0	0	113.9	Q196 I197	Q196-S200 PolarHBondContact O-N 3.13Å; I197-S200 PolarHBondContact O-N 3.35Å; I197-S200 PolarHBondContact O-OG 2.82Å
201	V	95.5	Very high	97.3	Very high	27 Å²	27	21.9 Å²	21.9	16%	0.164	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	8.1	177.8	-57.7	0	0	0	0	113.3	A170 R171 P175 I178 I197 A198 D199 A203	A170-V201 HydrophobicContact CB-CG1 4.22Å; A170-V201 HydrophobicContact CB-CG2 4.46Å; R171-V201 HydrophobicContact CG-CG1 4.2Å; P175-V201 HydrophobicContact CG-CG2 4.01Å; I178-V201 HydrophobicContact CD1-CG2 4.32Å; I197-V201 PolarHBondContact O-N 3.29Å; A198-V201 CarbonylContact O-C 3.45Å; A198-V201 PolarHBondContact O-N 3.11Å; D199-V201 PolarHBondContact O-N 2.89Å; V201-A203 VanDerWaalsContact C-N 3.3Å; V201-A203 HydrophobicContact CG2-CB 3.83Å; V201-A203 PolarHBondContact O-N 2.92Å
202	S	93.9	Very high	97.3	Very high	98 Å²	98	22.4 Å²	22.4	69%	0.685	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	40.7	-177.9	-54.1	0	0	0	0	113.9	A198 D199	A198-S202 PolarHBondContact O-N 3.4Å; D199-S202 PolarHBondContact O-N 3.47Å
203	A	96.5	Very high	97.3	Very high	6 Å²	6	19.8 Å²	19.8	5%	0.05	11%	0.114	C	C	.	.			trans	-94.4	149	176.8	0	0	0	0	0	112.5	P175 K176 I178 R195 A198 V201	P175-A203 HydrophobicContact CG-CB 4.41Å; P175-A203 WeakPolarHBondContact O-CB 3.45Å; K176-A203 WeakPolarHBondContact O-CA 3.39Å; I178-A203 HydrophobicContact CD1-CB 4.36Å; I178-A203 HydrophobicContact CG1-CB 4.07Å; R195-A203 PolarHBondContact NH2-O 3.35Å; R195-A203 VanDerWaalsContact NH2-O 3.14Å; A198-A203 HydrophobicContact CB-CB 4.35Å; A198-A203 PolarHBondContact O-N 3.29Å; V201-A203 VanDerWaalsContact C-N 3.3Å; V201-A203 HydrophobicContact CG2-CB 3.83Å; V201-A203 PolarHBondContact O-N 2.92Å
204	V	97.2	Very high	97.4	Very high	22 Å²	22	18 Å²	18	13%	0.133	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	131.9	163.7	176.7	0	0	0	0	108.8	L110 K176 L177 I178 D229 V230 F273	L110-V204 HydrophobicContact CD1-CG1 4.11Å; K176-V204 PolarHBondContact O-N 3.15Å; L177-V204 CarbonylContact C-O 3.53Å; L177-V204 VanDerWaalsContact CA-O 3.24Å; L177-V204 WeakPolarHBondContact CA-O 3.42Å; L177-V204 HydrophobicContact CB-CB 4.33Å; L177-V204 HydrophobicContact CD1-CB 4.2Å; L177-V204 HydrophobicContact CD1-CG1 4.01Å; L177-V204 HydrophobicContact CG-CB 4.2Å; L177-V204 HydrophobicContact CG-CG1 4.33Å; I178-V204 PolarHBondContact N-O 2.91Å; V204-D229 HydrophobicContact CG1-CB 3.94Å; V204-V230 HydrophobicContact CG1-CG2 4.19Å; V204-F273 HydrophobicContact CG2-CE1 4.36Å; V204-F273 HydrophobicContact CG2-CZ 4.3Å
205	L	98.3	Very high	97.4	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	112.2	168.5	-177.1	60.1	0	0	0	109.6	I178 A180 F194 R195 A198 D229 V230	I178-L205 HydrophobicContact CB-CD1 4.48Å; I178-L205 HydrophobicContact CG2-CD1 4.48Å; A180-L205 HydrophobicContact CB-CD1 3.98Å; F194-L205 HydrophobicContact CB-CD1 3.9Å; F194-L205 HydrophobicContact CB-CD2 4.03Å; F194-L205 HydrophobicContact CD1-CD1 4.27Å; F194-L205 HydrophobicContact CG-CD1 4.37Å; R195-L205 HydrophobicContact CB-CD2 4.29Å; A198-L205 HydrophobicContact CB-CB 4.19Å; L205-D229 PolarHBondContact N-OD2 3.43Å; L205-D229 PolarHBondContact O-N 2.89Å; L205-V230 PolarHBondContact O-N 3.46Å
206	L	98.8	Very high	97.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.3	169.7	172	57.6	0	0	0	109.2	I106 Y107 L177 I178 V179 A180 V230 M232	I106-L206 HydrophobicContact CD1-CD1 3.73Å; I106-L206 HydrophobicContact CD1-CD2 4.19Å; I106-L206 HydrophobicContact CG2-CD2 4.21Å; Y107-L206 HydrophobicContact CE1-CD2 3.7Å; L177-L206 HydrophobicContact CD1-CB 4.2Å; L177-L206 HydrophobicContact CD2-CB 3.86Å; L177-L206 HydrophobicContact CD2-CD2 4.23Å; L177-L206 HydrophobicContact CG-CB 4.18Å; I178-L206 PolarHBondContact O-N 3.38Å; V179-L206 CarbonylContact C-O 3.52Å; V179-L206 VanDerWaalsContact CA-O 3.32Å; V179-L206 WeakPolarHBondContact CA-O 3.44Å; V179-L206 HydrophobicContact CG1-CD2 4.46Å; V179-L206 HydrophobicContact CG1-CG 4.45Å; V179-L206 HydrophobicContact CG2-CD2 4.22Å; A180-L206 PolarHBondContact N-O 2.98Å; L206-V230 CarbonylContact C-O 3.15Å; L206-V230 WeakPolarHBondContact CA-O 3.44Å; L206-V230 HydrophobicContact CD1-CB 4Å; L206-V230 HydrophobicContact CD1-CG1 3.81Å; L206-M232 HydrophobicContact CD1-CB 4.07Å
207	A	98.9	Very high	97.6	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.4	164.5	0	0	0	0	0	110.3	A180 Y191 P224 A228 V230 V231 M232	A180-A207 VanDerWaalsContact O-CA 3.3Å; A180-A207 WeakPolarHBondContact O-CA 3.42Å; Y191-A207 HydrophobicContact CE1-CB 4.3Å; A207-P224 HydrophobicContact CB-CB 3.45Å; A207-P224 VanDerWaalsContact CB-CB 3.45Å; A207-P224 HydrophobicContact CB-CG 4.18Å; A207-A228 HydrophobicContact CB-CB 3.89Å; A207-V230 PolarHBondContact N-O 2.93Å; A207-V231 HydrophobicContact CB-CG1 4.37Å; A207-V231 HydrophobicContact CB-CG2 4.27Å; A207-V231 CarbonylContact O-C 3.55Å; A207-V231 VanDerWaalsContact O-CA 3.31Å; A207-V231 WeakPolarHBondContact O-CA 3.03Å; A207-M232 PolarHBondContact O-N 3.35Å
208	D	98.9	Very high	97.7	Very high	11 Å²	11	14.8 Å²	14.8	6%	0.059	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	96.7	169.1	-177.6	-13.3	0	0	0	108.5	N103 H130 V179 A180 G181 S210 M232	N103-D208 PolarHBondContact ND2-OD2 2.96Å; H130-D208 IonicContact CD2-OD2 3.23Å; H130-D208 IonicContact CE1-OD2 3.29Å; H130-D208 IonicContact NE2-OD2 3.28Å; H130-D208 PolarHBondContact NE2-OD2 3.18Å; V179-D208 HydrophobicContact CG1-CB 4.26Å; A180-D208 PolarHBondContact O-N 2.63Å; A180-D208 VanDerWaalsContact O-N 3.14Å; G181-D208 VanDerWaalsContact CA-O 3.25Å; G181-D208 WeakPolarHBondContact CA-O 3.42Å; D208-S210 VanDerWaalsContact C-N 3.32Å; D208-S210 WeakPolarHBondContact OD1-CB 3.38Å; D208-S210 PolarHBondContact OD1-N 3.01Å; D208-S210 VanDerWaalsContact OD1-N 3.15Å; D208-S210 PolarHBondContact OD1-OG 3.38Å; D208-M232 HydrophobicContact CB-CE 4.23Å; D208-M232 WeakPolarHBondContact OD1-CE 3.49Å; D208-M232 WeakPolarHBondContact OD2-CE 3.38Å
209	M	98.8	Very high	97.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	13%	0.127	C	C	.	.			trans	-94	15.9	-174.7	73.7	173.8	179.8	0	0	112.9	F83 H211 I212 G213 V216 P224 F225 V231 M232 T233 F248	F83-M209 HydrophobicContact CD1-CE 4.39Å; F83-M209 HydrophobicContact CD2-CE 4.4Å; F83-M209 HydrophobicContact CE1-CE 3.76Å; F83-M209 HydrophobicContact CE1-SD 4.36Å; F83-M209 HydrophobicContact CE2-CE 3.8Å; F83-M209 HydrophobicContact CZ-CE 3.43Å; F83-M209 VanDerWaalsContact CZ-CE 3.43Å; M209-H211 PolarHBondContact O-N 2.92Å; M209-I212 HydrophobicContact CB-CD1 4.14Å; M209-I212 HydrophobicContact CB-CG1 3.82Å; M209-I212 CarbonylContact O-C 3.52Å; M209-I212 WeakPolarHBondContact O-CG1 3.34Å; M209-I212 PolarHBondContact O-N 2.91Å; M209-G213 PolarHBondContact O-N 3.41Å; M209-V216 HydrophobicContact SD-CG1 4.37Å; M209-P224 HydrophobicContact CB-CG 4.37Å; M209-P224 HydrophobicContact SD-CG 4.01Å; M209-F225 HydrophobicContact CE-CE2 3.79Å; M209-F225 HydrophobicContact CE-CZ 3.73Å; M209-F225 HydrophobicContact SD-CE2 3.89Å; M209-F225 HydrophobicContact SD-CZ 4.3Å; M209-V231 HydrophobicContact CB-CG1 4.38Å; M209-V231 HydrophobicContact CE-CG1 3.78Å; M209-V231 HydrophobicContact CG-CG1 3.72Å; M209-V231 HydrophobicContact SD-CG1 3.55Å; M209-V231 VanDerWaalsContact SD-CG1 3.55Å; M209-M232 PolarHBondContact N-O 3.12Å; M209-T233 HydrophobicContact CE-CG2 3.71Å; M209-F248 HydrophobicContact CE-CD2 4.48Å; M209-F248 HydrophobicContact CE-CE2 4.1Å
210	S	98.9	Very high	98	Very high	10 Å²	10	18.9 Å²	18.9	7%	0.07	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-39.1	-172.3	-70.8	0	0	0	0	114.8	D208 T234 K237	D208-S210 VanDerWaalsContact C-N 3.32Å; D208-S210 WeakPolarHBondContact OD1-CB 3.38Å; D208-S210 PolarHBondContact OD1-N 3.01Å; D208-S210 VanDerWaalsContact OD1-N 3.15Å; D208-S210 PolarHBondContact OD1-OG 3.38Å; S210-T234 VanDerWaalsContact CB-OG1 3.29Å; S210-T234 WeakPolarHBondContact CB-OG1 3.24Å; S210-T234 PolarHBondContact O-OG1 3.22Å; S210-T234 PolarHBondContact OG-N 3.49Å; S210-T234 VanDerWaalsContact OG-N 3.11Å; S210-K237 WeakPolarHBondContact O-CD 3.31Å
211	H	98.7	Very high	98.1	Very high	7 Å²	7	17 Å²	17	3%	0.032	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-26.2	-179.5	-100.9	-81.8	0	0	0	113.5	M209 T238 H342	M209-H211 PolarHBondContact O-N 2.92Å; H211-T238 WeakPolarHBondContact O-CG2 3.37Å; H211-T238 PolarHBondContact O-OG1 3.34Å; H211-H342 AromaticContact ND1-CE1 3.51Å; H211-H342 AromaticContact ND1-NE2 3.12Å; H211-H342 PolarHBondContact ND1-NE2 3.34Å; H211-H342 VanDerWaalsContact ND1-NE2 3.12Å; H211-H342 PolarHBondContact O-CE1 2.98Å; H211-H342 PolarHBondContact O-ND1 2.98Å; H211-H342 PolarHBondContact O-NE2 2.85Å
212	I	98.8	Very high	98.2	Very high	16 Å²	16	18.5 Å²	18.5	8%	0.082	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	1.1	-173.7	59.7	163.5	0	0	0	113.1	Y191 M209 G214 L215 V216 H221	Y191-I212 WeakPolarHBondContact OH-CD1 3.35Å; M209-I212 HydrophobicContact CB-CD1 4.14Å; M209-I212 HydrophobicContact CB-CG1 3.82Å; M209-I212 CarbonylContact O-C 3.52Å; M209-I212 WeakPolarHBondContact O-CG1 3.34Å; M209-I212 PolarHBondContact O-N 2.91Å; I212-G214 PolarHBondContact O-N 3Å; I212-G214 VanDerWaalsContact O-N 3.12Å; I212-L215 HydrophobicContact CG2-CD1 4.36Å; I212-L215 WeakPolarHBondContact O-CA 3.37Å; I212-L215 WeakPolarHBondContact O-CB 3.47Å; I212-L215 PolarHBondContact O-N 3.33Å; I212-V216 HydrophobicContact CB-CG2 4.45Å; I212-V216 HydrophobicContact CD1-CG2 3.8Å; I212-V216 HydrophobicContact CG1-CG2 4.07Å; I212-V216 PolarHBondContact O-N 3.47Å; I212-H221 WeakPolarHBondContact CD1-CE1 3.42Å; I212-H221 WeakPolarHBondContact CD1-ND1 3.36Å
213	G	98.6	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-54.1	-37.4	-172.4	0	0	0	0	0	113.6	M209 A217 T238 I239	M209-G213 PolarHBondContact O-N 3.41Å; G213-A217 VanDerWaalsContact O-CB 3.31Å; G213-A217 WeakPolarHBondContact O-CB 3.25Å; G213-A217 PolarHBondContact O-N 3.02Å; G213-T238 PolarHBondContact N-OG1 3.37Å; G213-I239 VanDerWaalsContact C-CG1 3.48Å
214	G	98.8	Very high	98.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-69.4	-38.4	174.5	0	0	0	0	0	113.5	I212 A217 A218 T238 Y309	I212-G214 PolarHBondContact O-N 3Å; I212-G214 VanDerWaalsContact O-N 3.12Å; G214-A217 PolarHBondContact O-N 3.29Å; G214-A218 WeakPolarHBondContact O-CB 3.19Å; G214-A218 PolarHBondContact O-N 2.93Å; G214-T238 PolarHBondContact N-OG1 2.93Å; G214-T238 VanDerWaalsContact N-OG1 3.13Å; G214-Y309 WeakPolarHBondContact CA-OH 3.23Å
215	L	98.9	Very high	98.5	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-68	-38.9	176.6	-58.9	174.3	0	0	0	111.6	I212 A218 G219 L220 H221 Q313 V316 L317 H342	I212-L215 HydrophobicContact CG2-CD1 4.36Å; I212-L215 WeakPolarHBondContact O-CA 3.37Å; I212-L215 WeakPolarHBondContact O-CB 3.47Å; I212-L215 PolarHBondContact O-N 3.33Å; L215-A218 PolarHBondContact O-N 2.84Å; L215-G219 PolarHBondContact O-N 2.97Å; L215-L220 PolarHBondContact O-N 3.21Å; L215-H221 HydrophobicContact CB-CB 3.76Å; L215-H221 PolarHBondContact O-N 2.69Å; L215-Q313 HydrophobicContact CD2-CB 4.25Å; L215-V316 HydrophobicContact CD2-CG1 4.49Å; L215-L317 HydrophobicContact CD1-CD2 4.02Å; L215-L317 HydrophobicContact CD2-CD1 4.32Å; L215-L317 HydrophobicContact CD2-CD2 3.86Å; L215-L317 HydrophobicContact CD2-CG 3.91Å; L215-H342 HydrophobicContact CD1-CB 4.29Å
216	V	98.8	Very high	98.3	Very high	11 Å²	11	20.9 Å²	20.9	7%	0.067	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-46.5	174	175.2	0	0	0	0	110.1	F83 M209 I212 A218 G219 H221	F83-V216 HydrophobicContact CD1-CG1 3.91Å; F83-V216 HydrophobicContact CE1-CB 4.27Å; F83-V216 HydrophobicContact CE1-CG1 3.98Å; M209-V216 HydrophobicContact SD-CG1 4.37Å; I212-V216 HydrophobicContact CB-CG2 4.45Å; I212-V216 HydrophobicContact CD1-CG2 3.8Å; I212-V216 HydrophobicContact CG1-CG2 4.07Å; I212-V216 PolarHBondContact O-N 3.47Å; V216-A218 VanDerWaalsContact C-N 3.27Å; V216-A218 PolarHBondContact O-N 3.41Å; V216-G219 PolarHBondContact O-N 3.01Å; V216-H221 HydrophobicContact CG2-CB 4.06Å
217	A	98.6	Very high	98.1	Very high	18 Å²	18	23.3 Å²	23.3	15%	0.149	14%	0.14	C	C	.	.	H	α-helix	trans	-58.8	-37.6	177.6	0	0	0	0	0	112.6	L82 F83 G213 G214 G219	L82-A217 HydrophobicContact CD1-CB 3.97Å; L82-A217 HydrophobicContact CD2-CB 3.88Å; L82-A217 HydrophobicContact CG-CB 3.81Å; F83-A217 HydrophobicContact CD1-CB 4.4Å; F83-A217 HydrophobicContact CE1-CB 3.75Å; F83-A217 HydrophobicContact CZ-CB 4.23Å; G213-A217 VanDerWaalsContact O-CB 3.31Å; G213-A217 WeakPolarHBondContact O-CB 3.25Å; G213-A217 PolarHBondContact O-N 3.02Å; G214-A217 PolarHBondContact O-N 3.29Å; A217-G219 VanDerWaalsContact C-N 3.26Å; A217-G219 PolarHBondContact O-N 3.02Å
218	A	98.6	Very high	98	Very high	9 Å²	9	23.3 Å²	23.3	7%	0.074	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.9	176.5	0	0	0	0	0	114.5	G214 L215 V216 L220 K310 Q313	G214-A218 WeakPolarHBondContact O-CB 3.19Å; G214-A218 PolarHBondContact O-N 2.93Å; L215-A218 PolarHBondContact O-N 2.84Å; V216-A218 VanDerWaalsContact C-N 3.27Å; V216-A218 PolarHBondContact O-N 3.41Å; A218-L220 VanDerWaalsContact C-N 3.33Å; A218-L220 HydrophobicContact CB-CD1 3.99Å; A218-L220 HydrophobicContact CB-CG 4.08Å; A218-K310 HydrophobicContact CB-CB 4.42Å; A218-K310 HydrophobicContact CB-CG 4.28Å; A218-Q313 HydrophobicContact CB-CB 3.66Å; A218-Q313 HydrophobicContact CB-CG 3.75Å
219	G	98.2	Very high	97.9	Very high	60 Å²	60	23.4 Å²	23.4	62%	0.619	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	24.2	-176.9	0	0	0	0	0	114.3	L215 V216 A217	L215-G219 PolarHBondContact O-N 2.97Å; V216-G219 PolarHBondContact O-N 3.01Å; A217-G219 VanDerWaalsContact C-N 3.26Å; A217-G219 PolarHBondContact O-N 3.02Å
220	L	98.5	Very high	97.9	Very high	46 Å²	46	23.4 Å²	23.4	24%	0.241	14%	0.141	C	C	.	.			trans	-106.2	0.1	-176.9	-59.3	173.2	0	0	0	113.5	L215 A218 Q313 E314 L317	L215-L220 PolarHBondContact O-N 3.21Å; A218-L220 VanDerWaalsContact C-N 3.33Å; A218-L220 HydrophobicContact CB-CD1 3.99Å; A218-L220 HydrophobicContact CB-CG 4.08Å; L220-Q313 VanDerWaalsContact CD1-C 3.48Å; L220-Q313 HydrophobicContact CD1-CB 3.62Å; L220-E314 HydrophobicContact CD1-CB 4.25Å; L220-E314 HydrophobicContact CD1-CG 3.55Å; L220-E314 VanDerWaalsContact CD1-N 3.33Å; L220-E314 HydrophobicContact CD2-CG 3.83Å; L220-E314 HydrophobicContact CG-CG 4.33Å; L220-L317 HydrophobicContact CB-CD1 3.86Å; L220-L317 HydrophobicContact CD1-CD1 4.26Å
221	H	98.1	Very high	97.9	Very high	13 Å²	13	22.9 Å²	22.9	6%	0.06	14%	0.137	C	C	.	.	S	Bend	trans	-133.4	144.2	175.2	-172.8	-72.1	0	0	0	109	H188 I212 L215 V216 S223	H188-H221 AromaticContact CD2-CD2 3.29Å; H188-H221 PolarHBondContact CD2-CD2 2.94Å; H188-H221 AromaticContact CD2-CE1 3.91Å; H188-H221 AromaticContact CD2-NE2 3.18Å; H188-H221 PolarHBondContact CD2-NE2 3.41Å; H188-H221 AromaticContact CG-NE2 3.98Å; H188-H221 AromaticContact NE2-CD2 3.51Å; H188-H221 AromaticContact NE2-NE2 3.91Å; I212-H221 WeakPolarHBondContact CD1-CE1 3.42Å; I212-H221 WeakPolarHBondContact CD1-ND1 3.36Å; L215-H221 HydrophobicContact CB-CB 3.76Å; L215-H221 PolarHBondContact O-N 2.69Å; V216-H221 HydrophobicContact CG2-CB 4.06Å; H221-S223 PolarHBondContact O-N 3.09Å
222	P	97.4	Very high	97.9	Very high	58 Å²	58	22.6 Å²	22.6	38%	0.377	14%	0.136	S	C	.	.			trans	-48.8	126.3	172.3	-28.9	35.1	0	0	0	111.8	H188 Y191	H188-P222 HydrophobicContact CB-CG 4.34Å; H188-P222 VanDerWaalsContact CE1-CD 3.49Å; H188-P222 WeakPolarHBondContact CE1-CD 3.37Å; Y191-P222 HydrophobicContact CD2-CB 4.48Å
223	S	98	Very high	97.9	Very high	49 Å²	49	21.9 Å²	21.9	34%	0.343	13%	0.132	S	C	.	.			trans	-77	127.4	-177.3	176.8	0	0	0	0	111.1	H221 F225	H221-S223 PolarHBondContact O-N 3.09Å; S223-F225 VanDerWaalsContact C-N 3.26Å; S223-F225 PolarHBondContact O-N 3.09Å; S223-F225 WeakPolarHBondContact OG-CD2 3.5Å; S223-F225 PolarHBondContact OG-N 3.15Å
224	P	98.2	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-70.5	-22.5	175.7	27.9	-33.5	0	0	0	112.8	Y191 A207 M209 K226 Y227 A228 V231	Y191-P224 HydrophobicContact CD1-CB 4.19Å; Y191-P224 HydrophobicContact CD2-CB 4.48Å; Y191-P224 HydrophobicContact CE1-CB 3.79Å; Y191-P224 HydrophobicContact CE2-CB 4.08Å; A207-P224 HydrophobicContact CB-CB 3.45Å; A207-P224 VanDerWaalsContact CB-CB 3.45Å; A207-P224 HydrophobicContact CB-CG 4.18Å; M209-P224 HydrophobicContact CB-CG 4.37Å; M209-P224 HydrophobicContact SD-CG 4.01Å; P224-K226 PolarHBondContact O-N 3.03Å; P224-K226 VanDerWaalsContact O-N 3.13Å; P224-Y227 PolarHBondContact O-N 2.92Å; P224-A228 WeakPolarHBondContact O-CB 3.5Å; P224-A228 PolarHBondContact O-N 2.96Å; P224-V231 HydrophobicContact CG-CG1 4.13Å; P224-V231 HydrophobicContact CG-CG2 4.41Å
225	F	97.4	Very high	98	Very high	7 Å²	7	22.1 Å²	22.1	3%	0.031	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-61.8	-24.4	-172.5	-70.3	-82	0	0	0	113.7	F83 L85 W90 M209 S223 Y227 V231 F248 R250	F83-F225 HydrophobicContact CB-CD2 4.17Å; F83-F225 HydrophobicContact CB-CE2 3.7Å; F83-F225 HydrophobicContact CB-CZ 4.03Å; F83-F225 HydrophobicContact CD1-CD2 4.48Å; F83-F225 AromaticContact CD1-CE2 3.67Å; F83-F225 HydrophobicContact CD1-CE2 3.67Å; F83-F225 HydrophobicContact CD1-CZ 4.37Å; F83-F225 HydrophobicContact CD2-CE2 4.15Å; F83-F225 HydrophobicContact CD2-CZ 4.04Å; F83-F225 HydrophobicContact CE1-CE2 4.32Å; F83-F225 HydrophobicContact CG-CD2 4.44Å; F83-F225 AromaticContact CG-CE2 3.56Å; F83-F225 HydrophobicContact CG-CE2 3.56Å; F83-F225 AromaticContact CG-CZ 3.89Å; F83-F225 HydrophobicContact CG-CZ 3.89Å; L85-F225 HydrophobicContact CD1-CD1 3.6Å; L85-F225 HydrophobicContact CD1-CE1 3.37Å; L85-F225 HydrophobicContact CD1-CG 4.33Å; L85-F225 HydrophobicContact CD1-CZ 3.93Å; L85-F225 HydrophobicContact CD2-CB 3.74Å; L85-F225 HydrophobicContact CD2-CD1 3.55Å; L85-F225 HydrophobicContact CD2-CD2 4.28Å; L85-F225 HydrophobicContact CD2-CE1 4.19Å; L85-F225 HydrophobicContact CD2-CG 3.61Å; L85-F225 HydrophobicContact CG-CD1 4.21Å; L85-F225 HydrophobicContact CG-CE1 4.37Å; W90-F225 HydrophobicContact CD2-CD1 4.38Å; W90-F225 HydrophobicContact CE3-CD1 4.18Å; W90-F225 HydrophobicContact CE3-CE1 4.44Å; W90-F225 AromaticContact CH2-CD1 3.83Å; W90-F225 HydrophobicContact CH2-CD1 3.83Å; W90-F225 HydrophobicContact CZ2-CB 4.27Å; W90-F225 HydrophobicContact CZ2-CD1 4.01Å; W90-F225 VanDerWaalsContact CZ2-O 3.28Å; W90-F225 WeakPolarHBondContact CZ2-O 3.45Å; W90-F225 AromaticContact CZ3-CD1 3.91Å; W90-F225 HydrophobicContact CZ3-CD1 3.91Å; W90-F225 HydrophobicContact CZ3-CE1 4.28Å; M209-F225 HydrophobicContact CE-CE2 3.79Å; M209-F225 HydrophobicContact CE-CZ 3.73Å; M209-F225 HydrophobicContact SD-CE2 3.89Å; M209-F225 HydrophobicContact SD-CZ 4.3Å; S223-F225 VanDerWaalsContact C-N 3.26Å; S223-F225 PolarHBondContact O-N 3.09Å; S223-F225 WeakPolarHBondContact OG-CD2 3.5Å; S223-F225 PolarHBondContact OG-N 3.15Å; F225-Y227 PolarHBondContact O-N 3.21Å; F225-V231 HydrophobicContact CD1-CB 4.25Å; F225-V231 HydrophobicContact CD1-CG2 3.62Å; F225-V231 HydrophobicContact CE1-CB 3.68Å; F225-V231 HydrophobicContact CE1-CG1 4.11Å; F225-V231 HydrophobicContact CE1-CG2 3.6Å; F225-V231 HydrophobicContact CE2-CG1 4.28Å; F225-V231 HydrophobicContact CG-CG2 4.17Å; F225-V231 HydrophobicContact CZ-CB 3.94Å; F225-V231 HydrophobicContact CZ-CG1 3.84Å; F225-V231 HydrophobicContact CZ-CG2 4.13Å; F225-F248 HydrophobicContact CE1-CB 3.66Å; F225-F248 HydrophobicContact CE1-CD1 4.05Å; F225-F248 HydrophobicContact CE1-CD2 4.05Å; F225-F248 AromaticContact CE1-CG 3.66Å; F225-F248 HydrophobicContact CE1-CG 3.66Å; F225-F248 HydrophobicContact CZ-CB 4.36Å; F225-F248 HydrophobicContact CZ-CD1 4.27Å; F225-F248 AromaticContact CZ-CD2 3.88Å; F225-F248 HydrophobicContact CZ-CD2 3.88Å; F225-F248 HydrophobicContact CZ-CE2 4.21Å; F225-F248 AromaticContact CZ-CG 3.92Å; F225-F248 HydrophobicContact CZ-CG 3.92Å; F225-R250 PolarHBondContact O-NH2 3.1Å
226	K	93.8	Very high	97.9	Very high	121 Å²	121	23.4 Å²	23.4	53%	0.526	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-63.7	-32.7	174.1	-175.3	171	179.3	-177.6	0	112.3	P224	P224-K226 PolarHBondContact O-N 3.03Å; P224-K226 VanDerWaalsContact O-N 3.13Å
227	Y	95.9	Very high	97.9	Very high	50 Å²	50	24 Å²	24	20%	0.196	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-33.3	-168.7	-58.3	-74.3	0	0	0	113.4	Y191 P192 R195 P224 F225 R254	Y191-Y227 HydrophobicContact CG-CD2 4.39Å; P192-Y227 HydrophobicContact CB-CE1 4Å; P192-Y227 HydrophobicContact CG-CE1 3.9Å; P192-Y227 HydrophobicContact CG-CE2 3.98Å; R195-Y227 HydrophobicContact CB-CD1 4.21Å; R195-Y227 WeakPolarHBondContact CD-O 3.41Å; R195-Y227 HydrophobicContact CG-CD1 4.48Å; R195-Y227 PolarHBondContact NH1-O 3.37Å; P224-Y227 PolarHBondContact O-N 2.92Å; F225-Y227 PolarHBondContact O-N 3.21Å; Y227-R254 PolarHBondContact O-NH1 2.88Å
228	A	97	Very high	98	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	13%	0.134	C	C	.	.			trans	-71.5	153.5	-176.5	0	0	0	0	0	112.7	A207 P224 V231 R250 R254	A207-A228 HydrophobicContact CB-CB 3.89Å; P224-A228 WeakPolarHBondContact O-CB 3.5Å; P224-A228 PolarHBondContact O-N 2.96Å; A228-V231 HydrophobicContact CB-CG2 3.71Å; A228-R250 PolarHBondContact O-NE 2.88Å; A228-R254 PolarHBondContact O-NH1 3.28Å
229	D	96.6	Very high	98	Very high	14 Å²	14	22.8 Å²	22.8	8%	0.075	13%	0.131	C	C	.	.	S	Bend	trans	-87.3	-37.6	167.6	-62.3	-53	0	0	0	110.7	R195 V204 L205 R250 R254 F273	R195-D229 IonicContact CZ-OD2 2.75Å; R195-D229 IonicContact NH1-OD1 3.17Å; R195-D229 IonicContact NH1-OD2 3.93Å; R195-D229 PolarHBondContact NH1-OD2 2.82Å; R195-D229 IonicContact NH2-OD2 3Å; V204-D229 HydrophobicContact CG1-CB 3.94Å; L205-D229 PolarHBondContact N-OD2 3.43Å; L205-D229 PolarHBondContact O-N 2.89Å; D229-R250 PolarHBondContact O-N 2.79Å; D229-R254 IonicContact OD1-CZ 3.33Å; D229-R254 VanDerWaalsContact OD1-CZ 3.27Å; D229-R254 IonicContact OD1-NH1 2.7Å; D229-R254 PolarHBondContact OD1-NH1 3.03Å; D229-R254 IonicContact OD1-NH2 3.4Å; D229-R254 PolarHBondContact OD1-NH2 3.31Å; D229-R254 VanDerWaalsContact OD1-NH2 3.14Å; D229-R254 IonicContact OD2-NH1 3.1Å; D229-R254 IonicContact OD2-NH2 2.68Å; D229-F273 HydrophobicContact CB-CE2 3.87Å; D229-F273 HydrophobicContact CB-CZ 4.32Å
230	V	98.7	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.6	179.8	-175.9	0	0	0	0	108.2	I106 L110 V204 L205 L206 A207 I247 F248 I277	I106-V230 HydrophobicContact CD1-CG1 3.81Å; I106-V230 HydrophobicContact CG1-CG1 4.12Å; I106-V230 HydrophobicContact CG2-CG1 4.17Å; L110-V230 HydrophobicContact CD1-CG2 3.64Å; V204-V230 HydrophobicContact CG1-CG2 4.19Å; L205-V230 PolarHBondContact O-N 3.46Å; L206-V230 CarbonylContact C-O 3.15Å; L206-V230 WeakPolarHBondContact CA-O 3.44Å; L206-V230 HydrophobicContact CD1-CB 4Å; L206-V230 HydrophobicContact CD1-CG1 3.81Å; A207-V230 PolarHBondContact N-O 2.93Å; V230-I247 HydrophobicContact CG1-CG2 3.81Å; V230-F248 CarbonylContact C-O 3.59Å; V230-F248 VanDerWaalsContact CA-O 3.32Å; V230-F248 WeakPolarHBondContact CA-O 3.31Å; V230-F248 VanDerWaalsContact CG1-O 3.28Å; V230-F248 WeakPolarHBondContact CG1-O 3.28Å; V230-I277 HydrophobicContact CG1-CD1 4.16Å; V230-I277 HydrophobicContact CG2-CD1 4.16Å
231	V	98.9	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.9	173.8	-174.4	0	0	0	0	108.8	W90 A207 M209 P224 F225 A228 F248	W90-V231 HydrophobicContact CH2-CG2 4.29Å; W90-V231 HydrophobicContact CZ3-CG2 4.38Å; A207-V231 HydrophobicContact CB-CG1 4.37Å; A207-V231 HydrophobicContact CB-CG2 4.27Å; A207-V231 CarbonylContact O-C 3.55Å; A207-V231 VanDerWaalsContact O-CA 3.31Å; A207-V231 WeakPolarHBondContact O-CA 3.03Å; M209-V231 HydrophobicContact CB-CG1 4.38Å; M209-V231 HydrophobicContact CE-CG1 3.78Å; M209-V231 HydrophobicContact CG-CG1 3.72Å; M209-V231 HydrophobicContact SD-CG1 3.55Å; M209-V231 VanDerWaalsContact SD-CG1 3.55Å; P224-V231 HydrophobicContact CG-CG1 4.13Å; P224-V231 HydrophobicContact CG-CG2 4.41Å; F225-V231 HydrophobicContact CD1-CB 4.25Å; F225-V231 HydrophobicContact CD1-CG2 3.62Å; F225-V231 HydrophobicContact CE1-CB 3.68Å; F225-V231 HydrophobicContact CE1-CG1 4.11Å; F225-V231 HydrophobicContact CE1-CG2 3.6Å; F225-V231 HydrophobicContact CE2-CG1 4.28Å; F225-V231 HydrophobicContact CG-CG2 4.17Å; F225-V231 HydrophobicContact CZ-CB 3.94Å; F225-V231 HydrophobicContact CZ-CG1 3.84Å; F225-V231 HydrophobicContact CZ-CG2 4.13Å; A228-V231 HydrophobicContact CB-CG2 3.71Å; V231-F248 HydrophobicContact CB-CB 4.2Å; V231-F248 HydrophobicContact CB-CD2 4.42Å; V231-F248 PolarHBondContact N-O 3.26Å; V231-F248 PolarHBondContact O-N 3.11Å
232	M	98.9	Very high	98	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.9	173.1	-168.7	-75.1	-73.7	0	0	109.3	A102 N103 I106 L206 A207 D208 M209 A245 M246 I247	A102-M232 HydrophobicContact CB-CG 3.7Å; A102-M232 HydrophobicContact CB-SD 4.03Å; N103-M232 HydrophobicContact CB-CE 4.4Å; N103-M232 WeakPolarHBondContact ND2-CE 3.11Å; N103-M232 WeakPolarHBondContact OD1-CE 3.27Å; I106-M232 HydrophobicContact CD1-CB 3.77Å; I106-M232 HydrophobicContact CD1-CG 4.05Å; L206-M232 HydrophobicContact CD1-CB 4.07Å; A207-M232 PolarHBondContact O-N 3.35Å; D208-M232 HydrophobicContact CB-CE 4.23Å; D208-M232 WeakPolarHBondContact OD1-CE 3.49Å; D208-M232 WeakPolarHBondContact OD2-CE 3.38Å; M209-M232 PolarHBondContact N-O 3.12Å; M232-A245 HydrophobicContact SD-CB 4.49Å; M232-M246 WeakPolarHBondContact CA-O 3.44Å; M232-I247 HydrophobicContact CG-CG1 4.46Å
233	T	98.9	Very high	98.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	142.3	167.3	-169.2	0	0	0	0	111.9	M209 I239 A245 M246 F248	M209-T233 HydrophobicContact CE-CG2 3.71Å; T233-I239 HydrophobicContact CG2-CD1 3.89Å; T233-A245 CarbonylContact O-C 3.56Å; T233-A245 WeakPolarHBondContact O-CA 3.32Å; T233-A245 VanDerWaalsContact O-CB 3.31Å; T233-A245 WeakPolarHBondContact O-CB 3.37Å; T233-M246 HydrophobicContact CG2-CB 4.24Å; T233-M246 HydrophobicContact CG2-CE 3.62Å; T233-M246 PolarHBondContact N-O 3.19Å; T233-M246 PolarHBondContact O-N 2.96Å; T233-F248 HydrophobicContact CG2-CE2 4.11Å
234	T	98.9	Very high	98.1	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.025	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	152.8	155.8	54.3	0	0	0	0	111.7	S210 H236 K237 G244	S210-T234 VanDerWaalsContact CB-OG1 3.29Å; S210-T234 WeakPolarHBondContact CB-OG1 3.24Å; S210-T234 PolarHBondContact O-OG1 3.22Å; S210-T234 PolarHBondContact OG-N 3.49Å; S210-T234 VanDerWaalsContact OG-N 3.11Å; T234-H236 WeakPolarHBondContact CB-CE1 3.48Å; T234-H236 VanDerWaalsContact CG2-CE1 3.45Å; T234-H236 WeakPolarHBondContact CG2-CE1 3.1Å; T234-K237 PolarHBondContact OG1-NZ 2.8Å; T234-G244 WeakPolarHBondContact CA-O 3.45Å
235	T	98.9	Very high	98.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	10%	0.096	C	C	.	.	S	Bend	trans	-94.7	-12.1	179.4	49.1	0	0	0	0	114.7	I239 G241 P242 G244 M246 I297	T235-I239 WeakPolarHBondContact O-CB 3.34Å; T235-I239 WeakPolarHBondContact O-CG2 3.4Å; T235-G241 CarbonylContact O-C 3.51Å; T235-G241 WeakPolarHBondContact O-CA 3.44Å; T235-G241 PolarHBondContact O-N 2.78Å; T235-P242 CarbonylContact C-O 3.35Å; T235-P242 PolarHBondContact OG1-O 2.86Å; T235-G244 PolarHBondContact N-O 3.14Å; T235-G244 WeakPolarHBondContact OG1-CA 3.36Å; T235-G244 PolarHBondContact OG1-N 2.87Å; T235-G244 PolarHBondContact OG1-O 2.94Å; T235-G244 VanDerWaalsContact OG1-O 3.12Å; T235-M246 HydrophobicContact CG2-CE 4.04Å; T235-M246 HydrophobicContact CG2-CG 4.07Å; T235-M246 HydrophobicContact CG2-SD 4.37Å; T235-I297 HydrophobicContact CG2-CD1 3.94Å; T235-I297 HydrophobicContact CG2-CG1 3.91Å; T235-I297 HydrophobicContact CG2-CG2 4.03Å
236	H	98.7	Very high	98.2	Very high	28 Å²	28	22.9 Å²	22.9	13%	0.13	9%	0.094	C	C	.	.	S	Bend	trans	-93.6	-21.7	-169.2	52	-90.1	0	0	0	116.9	T234 G241 P242 R243	T234-H236 WeakPolarHBondContact CB-CE1 3.48Å; T234-H236 VanDerWaalsContact CG2-CE1 3.45Å; T234-H236 WeakPolarHBondContact CG2-CE1 3.1Å; H236-G241 VanDerWaalsContact CA-O 3.3Å; H236-G241 WeakPolarHBondContact CA-O 2.99Å; H236-P242 PolarHBondContact N-O 2.95Å; H236-R243 HydrophobicContact CB-CG 4.43Å
237	K	98.8	Very high	98.5	Very high	24 Å²	24	17.1 Å²	17.1	10%	0.104	7%	0.069	C	C	.	.	S	Bend	trans	-76.5	-116.2	-171.8	-56.1	-170	179.3	58.4	0	111.8	S32 N34 S210 T234 I239 R240	S32-K237 WeakPolarHBondContact O-CG 3.31Å; N34-K237 WeakPolarHBondContact CB-O 3.4Å; N34-K237 PolarHBondContact ND2-O 3.23Å; S210-K237 WeakPolarHBondContact O-CD 3.31Å; T234-K237 PolarHBondContact OG1-NZ 2.8Å; K237-I239 PolarHBondContact O-N 3.39Å; K237-R240 PolarHBondContact O-N 3.02Å
238	T	98.7	Very high	98.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.1	175.9	49.1	0	0	0	0	112.6	H211 G213 G214 R240 Y309 Q313 H342 A391	H211-T238 WeakPolarHBondContact O-CG2 3.37Å; H211-T238 PolarHBondContact O-OG1 3.34Å; G213-T238 PolarHBondContact N-OG1 3.37Å; G214-T238 PolarHBondContact N-OG1 2.93Å; G214-T238 VanDerWaalsContact N-OG1 3.13Å; T238-R240 PolarHBondContact O-N 3.02Å; T238-Y309 PolarHBondContact O-OH 3.39Å; T238-Q313 PolarHBondContact O-NE2 3.21Å; T238-H342 HydrophobicContact CG2-CB 4.17Å; T238-A391 HydrophobicContact CG2-CB 4.34Å
239	I	98.7	Very high	98.7	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.2	172.2	-66.9	-176.5	0	0	0	111.8	F83 G213 T233 T235 K237 M246 C300 Y309	F83-I239 HydrophobicContact CZ-CD1 4.38Å; G213-I239 VanDerWaalsContact C-CG1 3.48Å; T233-I239 HydrophobicContact CG2-CD1 3.89Å; T235-I239 WeakPolarHBondContact O-CB 3.34Å; T235-I239 WeakPolarHBondContact O-CG2 3.4Å; K237-I239 PolarHBondContact O-N 3.39Å; I239-M246 HydrophobicContact CD1-CE 4.39Å; I239-C300 VanDerWaalsContact CG2-SG 3.58Å; I239-C300 PolarHBondContact O-SG 3.44Å; I239-C300 VanDerWaalsContact O-SG 3.37Å; I239-Y309 VanDerWaalsContact CA-OH 3.23Å; I239-Y309 WeakPolarHBondContact CA-OH 3.19Å; I239-Y309 PolarHBondContact O-OH 3.48Å
240	R	98.7	Very high	98.7	Very high	45 Å²	45	15.2 Å²	15.2	17%	0.17	6%	0.061	C	C	.	.			trans	66.9	33.1	176.9	-157.8	175.2	70.5	-176.5	2	115.1	N34 F35 K237 T238 S395	N34-R240 HydrophobicContact CB-CG 4.24Å; F35-R240 VanDerWaalsContact O-CD 3.24Å; F35-R240 WeakPolarHBondContact O-CD 3.48Å; F35-R240 WeakPolarHBondContact O-CG 3.49Å; K237-R240 PolarHBondContact O-N 3.02Å; T238-R240 PolarHBondContact O-N 3.02Å; R240-S395 WeakPolarHBondContact CD-OG 3.24Å; R240-S395 PolarHBondContact NH1-OG 2.77Å
241	G	98.7	Very high	98.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	7%	0.072	C	C	.	.			trans	-103.8	-164.5	175.7	0	0	0	0	0	113.9	T36 T235 H236 C300	T36-G241 PolarHBondContact OG1-O 2.93Å; T235-G241 CarbonylContact O-C 3.51Å; T235-G241 WeakPolarHBondContact O-CA 3.44Å; T235-G241 PolarHBondContact O-N 2.78Å; H236-G241 VanDerWaalsContact CA-O 3.3Å; H236-G241 WeakPolarHBondContact CA-O 2.99Å; G241-C300 WeakPolarHBondContact CA-SG 3.19Å; G241-C300 PolarHBondContact N-SG 3.29Å
242	P	98.7	Very high	98.2	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.019	8%	0.084	C	C	.	.			trans	-72.3	169.9	178.8	35.8	-38.2	0	0	0	111	V40 L44 T235 H236 G244 T293 A296 I297	V40-P242 HydrophobicContact CG1-CB 4.09Å; V40-P242 HydrophobicContact CG1-CG 4.25Å; L44-P242 HydrophobicContact CD1-CB 3.92Å; L44-P242 HydrophobicContact CD2-CB 3.92Å; L44-P242 HydrophobicContact CG-CB 4.15Å; T235-P242 CarbonylContact C-O 3.35Å; T235-P242 PolarHBondContact OG1-O 2.86Å; H236-P242 PolarHBondContact N-O 2.95Å; P242-G244 PolarHBondContact O-N 3.37Å; P242-G244 VanDerWaalsContact O-N 3.13Å; P242-T293 HydrophobicContact CB-CG2 4.44Å; P242-T293 HydrophobicContact CG-CG2 4.21Å; P242-A296 HydrophobicContact CB-CB 3.99Å; P242-A296 HydrophobicContact CG-CB 3.75Å; P242-I297 HydrophobicContact CG-CB 4.42Å; P242-I297 HydrophobicContact CG-CG1 3.52Å
243	R	98.9	Very high	97.3	Very high	186 Å²	186	21.7 Å²	21.7	70%	0.702	10%	0.097	S	C	*	.	S	Bend	trans	-66.5	112.1	166.5	-68.5	-176.9	-178.4	-89.2	0.6	109.5	H236 T293	H236-R243 HydrophobicContact CB-CG 4.43Å; R243-T293 WeakPolarHBondContact O-CG2 3.1Å
244	G	98.8	Very high	96.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.104	C	C	.	.			trans	-175.9	-175.6	179.3	0	0	0	0	0	109.8	T234 T235 P242	T234-G244 WeakPolarHBondContact CA-O 3.45Å; T235-G244 PolarHBondContact N-O 3.14Å; T235-G244 WeakPolarHBondContact OG1-CA 3.36Å; T235-G244 PolarHBondContact OG1-N 2.87Å; T235-G244 PolarHBondContact OG1-O 2.94Å; T235-G244 VanDerWaalsContact OG1-O 3.12Å; P242-G244 PolarHBondContact O-N 3.37Å; P242-G244 VanDerWaalsContact O-N 3.13Å
245	A	98.9	Very high	94.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	163.2	173.6	0	0	0	0	0	112.6	P96 S98 A102 M232 T233	P96-A245 HydrophobicContact CB-CB 4.2Å; P96-A245 PolarHBondContact O-N 3.03Å; S98-A245 WeakPolarHBondContact O-CB 3.3Å; A102-A245 HydrophobicContact CB-CB 3.77Å; M232-A245 HydrophobicContact SD-CB 4.49Å; T233-A245 CarbonylContact O-C 3.56Å; T233-A245 WeakPolarHBondContact O-CA 3.32Å; T233-A245 VanDerWaalsContact O-CB 3.31Å; T233-A245 WeakPolarHBondContact O-CB 3.37Å
246	M	98.9	Very high	92.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.8	174.7	-59.7	180	-65.2	0	0	109.4	A79 F83 V92 N93 V94 M232 T233 T235 I239 F248 I297 L301	A79-M246 HydrophobicContact CB-SD 3.74Å; F83-M246 HydrophobicContact CE2-CE 4.32Å; V92-M246 HydrophobicContact CG2-CB 4.11Å; N93-M246 WeakPolarHBondContact O-CA 3.16Å; V94-M246 HydrophobicContact CG1-CG 4.19Å; V94-M246 HydrophobicContact CG1-SD 4.39Å; M232-M246 WeakPolarHBondContact CA-O 3.44Å; T233-M246 HydrophobicContact CG2-CB 4.24Å; T233-M246 HydrophobicContact CG2-CE 3.62Å; T233-M246 PolarHBondContact N-O 3.19Å; T233-M246 PolarHBondContact O-N 2.96Å; T235-M246 HydrophobicContact CG2-CE 4.04Å; T235-M246 HydrophobicContact CG2-CG 4.07Å; T235-M246 HydrophobicContact CG2-SD 4.37Å; I239-M246 HydrophobicContact CD1-CE 4.39Å; M246-F248 HydrophobicContact CB-CD2 4.42Å; M246-F248 HydrophobicContact CB-CE2 3.79Å; M246-F248 HydrophobicContact CB-CZ 4.21Å; M246-F248 HydrophobicContact CE-CE2 3.95Å; M246-F248 HydrophobicContact CE-CZ 3.83Å; M246-F248 HydrophobicContact SD-CE2 4.46Å; M246-F248 HydrophobicContact SD-CZ 4.06Å; M246-I297 HydrophobicContact SD-CG2 4.06Å; M246-L301 HydrophobicContact CE-CD2 3.98Å; M246-L301 HydrophobicContact SD-CD1 4.18Å; M246-L301 HydrophobicContact SD-CD2 4.18Å
247	I	99	Very high	89.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	110.2	172.4	-55.9	163.8	0	0	0	107.8	V92 N93 P96 A102 A105 I106 V230 M232 Y249 I277 V281	V92-I247 CarbonylContact C-O 3.59Å; V92-I247 VanDerWaalsContact CA-O 3.31Å; V92-I247 WeakPolarHBondContact CA-O 2.99Å; N93-I247 HydrophobicContact CB-CB 4.49Å; N93-I247 PolarHBondContact N-O 3.08Å; N93-I247 PolarHBondContact O-N 3.35Å; P96-I247 HydrophobicContact CG-CD1 3.54Å; P96-I247 HydrophobicContact CG-CG1 3.9Å; A102-I247 HydrophobicContact CB-CD1 4.08Å; A102-I247 HydrophobicContact CB-CG1 3.93Å; A105-I247 HydrophobicContact CB-CD1 4.36Å; I106-I247 HydrophobicContact CD1-CD1 4.4Å; I106-I247 HydrophobicContact CD1-CG1 4.09Å; I106-I247 HydrophobicContact CD1-CG2 3.74Å; I106-I247 HydrophobicContact CG1-CD1 4Å; I106-I247 HydrophobicContact CG1-CG1 4.19Å; I106-I247 HydrophobicContact CG1-CG2 3.7Å; V230-I247 HydrophobicContact CG1-CG2 3.81Å; M232-I247 HydrophobicContact CG-CG1 4.46Å; I247-Y249 HydrophobicContact CG2-CD1 4.44Å; I247-I277 HydrophobicContact CB-CG2 4.25Å; I247-I277 HydrophobicContact CD1-CG2 4.03Å; I247-I277 HydrophobicContact CG2-CD1 4.06Å; I247-I277 HydrophobicContact CG2-CG2 3.75Å; I247-V281 HydrophobicContact CD1-CG2 3.98Å
248	F	98.9	Very high	86.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	141.3	170.9	-56.8	-95.4	0	0	0	109.6	A79 L80 F83 L85 W90 G91 V92 M209 F225 V230 V231 T233 M246	A79-F248 HydrophobicContact CB-CE1 3.91Å; A79-F248 HydrophobicContact CB-CZ 3.99Å; L80-F248 HydrophobicContact CD2-CD1 4.08Å; L80-F248 HydrophobicContact CD2-CE1 4.36Å; F83-F248 AromaticContact CD2-CE1 3.99Å; F83-F248 HydrophobicContact CD2-CE1 3.99Å; F83-F248 HydrophobicContact CD2-CE2 4.22Å; F83-F248 AromaticContact CD2-CZ 3.58Å; F83-F248 HydrophobicContact CD2-CZ 3.58Å; F83-F248 HydrophobicContact CE2-CE1 4.46Å; F83-F248 HydrophobicContact CE2-CE2 4.02Å; F83-F248 AromaticContact CE2-CZ 3.61Å; F83-F248 HydrophobicContact CE2-CZ 3.61Å; L85-F248 HydrophobicContact CD1-CD1 3.72Å; L85-F248 HydrophobicContact CD1-CE1 4.15Å; L85-F248 HydrophobicContact CD1-CG 4.47Å; W90-F248 HydrophobicContact CE3-CB 4.07Å; W90-F248 HydrophobicContact CZ3-CB 4.18Å; G91-F248 VanDerWaalsContact O-CA 3.32Å; G91-F248 WeakPolarHBondContact O-CA 3.33Å; V92-F248 HydrophobicContact CB-CD1 3.72Å; V92-F248 HydrophobicContact CB-CE1 3.92Å; V92-F248 HydrophobicContact CB-CG 4.4Å; V92-F248 HydrophobicContact CG2-CD1 3.63Å; V92-F248 HydrophobicContact CG2-CD2 4.41Å; V92-F248 HydrophobicContact CG2-CE1 3.57Å; V92-F248 HydrophobicContact CG2-CE2 4.36Å; V92-F248 HydrophobicContact CG2-CG 4.06Å; V92-F248 HydrophobicContact CG2-CZ 3.95Å; M209-F248 HydrophobicContact CE-CD2 4.48Å; M209-F248 HydrophobicContact CE-CE2 4.1Å; F225-F248 HydrophobicContact CE1-CB 3.66Å; F225-F248 HydrophobicContact CE1-CD1 4.05Å; F225-F248 HydrophobicContact CE1-CD2 4.05Å; F225-F248 AromaticContact CE1-CG 3.66Å; F225-F248 HydrophobicContact CE1-CG 3.66Å; F225-F248 HydrophobicContact CZ-CB 4.36Å; F225-F248 HydrophobicContact CZ-CD1 4.27Å; F225-F248 AromaticContact CZ-CD2 3.88Å; F225-F248 HydrophobicContact CZ-CD2 3.88Å; F225-F248 HydrophobicContact CZ-CE2 4.21Å; F225-F248 AromaticContact CZ-CG 3.92Å; F225-F248 HydrophobicContact CZ-CG 3.92Å; V230-F248 CarbonylContact C-O 3.59Å; V230-F248 VanDerWaalsContact CA-O 3.32Å; V230-F248 WeakPolarHBondContact CA-O 3.31Å; V230-F248 VanDerWaalsContact CG1-O 3.28Å; V230-F248 WeakPolarHBondContact CG1-O 3.28Å; V231-F248 HydrophobicContact CB-CB 4.2Å; V231-F248 HydrophobicContact CB-CD2 4.42Å; V231-F248 PolarHBondContact N-O 3.26Å; V231-F248 PolarHBondContact O-N 3.11Å; T233-F248 HydrophobicContact CG2-CE2 4.11Å; M246-F248 HydrophobicContact CB-CD2 4.42Å; M246-F248 HydrophobicContact CB-CE2 3.79Å; M246-F248 HydrophobicContact CB-CZ 4.21Å; M246-F248 HydrophobicContact CE-CE2 3.95Å; M246-F248 HydrophobicContact CE-CZ 3.83Å; M246-F248 HydrophobicContact SD-CE2 4.46Å; M246-F248 HydrophobicContact SD-CZ 4.06Å
249	Y	98.7	Very high	84	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.1	179.4	44.8	-97.2	0	0	0	110.4	W90 G91 N93 I247 K251 E274 I277 N278	W90-Y249 WeakPolarHBondContact CA-O 3.49Å; G91-Y249 VanDerWaalsContact CA-CE2 3.45Å; G91-Y249 PolarHBondContact N-O 2.84Å; G91-Y249 PolarHBondContact O-N 2.96Å; N93-Y249 HydrophobicContact CB-CE1 4.25Å; I247-Y249 HydrophobicContact CG2-CD1 4.44Å; Y249-K251 HydrophobicContact CE2-CG 4.49Å; Y249-E274 HydrophobicContact CD2-CB 3.92Å; Y249-E274 VanDerWaalsContact CE2-CA 3.46Å; Y249-E274 HydrophobicContact CE2-CB 3.39Å; Y249-E274 HydrophobicContact CE2-CG 3.6Å; Y249-I277 HydrophobicContact CD1-CB 4.36Å; Y249-I277 HydrophobicContact CD1-CD1 3.81Å; Y249-I277 HydrophobicContact CD1-CG2 4.18Å; Y249-I277 HydrophobicContact CE1-CG2 4.36Å; Y249-I277 HydrophobicContact CG-CD1 4Å; Y249-N278 PolarHBondContact OH-ND2 2.76Å
250	R	97	Very high	81.3	Confident	21 Å²	21	47.6 Å²	47.6	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.6	167.4	-73.3	-168.5	171	-85.7	-2.1	109.6	E89 W90 F225 A228 D229 T271 F273	E89-R250 CarbonylContact O-C 3.58Å; E89-R250 WeakPolarHBondContact O-CA 3.3Å; E89-R250 IonicContact OE2-NH1 3.88Å; W90-R250 HydrophobicContact CD2-CG 4.1Å; W90-R250 HydrophobicContact CE3-CG 4.18Å; W90-R250 HydrophobicContact CH2-CG 3.55Å; W90-R250 HydrophobicContact CZ2-CG 3.45Å; W90-R250 VanDerWaalsContact CZ2-CG 3.45Å; W90-R250 VanDerWaalsContact CZ2-CZ 3.43Å; W90-R250 VanDerWaalsContact CZ2-NE 3.34Å; W90-R250 HydrophobicContact CZ3-CG 3.92Å; F225-R250 PolarHBondContact O-NH2 3.1Å; A228-R250 PolarHBondContact O-NE 2.88Å; D229-R250 PolarHBondContact O-N 2.79Å; R250-T271 PolarHBondContact O-OG1 2.75Å; R250-F273 HydrophobicContact CB-CD2 4.48Å
251	K	95.7	Very high	78.4	Confident	53 Å²	53	53 Å²	53	23%	0.23	28%	0.276	C	S	.	.	S	Bend	trans	-89.8	-33.2	166.3	-68.7	177.5	176.8	170.6	0	110.5	E87 E89 W90 Y249 P270 T271	E87-K251 PolarHBondContact O-NZ 3.4Å; E89-K251 PolarHBondContact O-N 3.49Å; W90-K251 WeakPolarHBondContact O-CE 3.39Å; W90-K251 PolarHBondContact O-NZ 3.42Å; Y249-K251 HydrophobicContact CE2-CG 4.49Å; K251-P270 CarbonylContact O-C 3.6Å; K251-P270 WeakPolarHBondContact O-CA 3.13Å; K251-T271 PolarHBondContact O-N 3.49Å; K251-T271 PolarHBondContact O-OG1 3.28Å
252	I	90.9	Very high	75.8	Confident	52 Å²	52	54.5 Å²	54.5	27%	0.267	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-116.3	133.3	178	-53.9	-60.7	0	0	0	109.5	P268 P270	I252-P268 HydrophobicContact CG2-CB 3.5Å; I252-P270 HydrophobicContact CD1-CB 4.4Å; I252-P270 HydrophobicContact CD1-CG 4.29Å
253	A	80.1	Confident	73.2	Confident	33 Å²	33	56.1 Å²	56.1	27%	0.273	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-59.5	144.4	174.3	0	0	0	0	0	110	S255 A269 T271	A253-S255 PolarHBondContact O-N 2.71Å; A253-A269 WeakPolarHBondContact CB-O 3.41Å; A253-A269 PolarHBondContact N-O 3.33Å; A253-T271 HydrophobicContact CB-CG2 4.16Å
254	R	74.4	Confident	70.2	Confident	39 Å²	39	52.9 Å²	52.9	15%	0.147	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-56.7	132.8	177.8	-65.2	-176.2	-66.6	-80.5	-18.4	110.1	R195 D199 Y227 A228 D229 N262	R195-R254 VanDerWaalsContact NE-NH2 3.12Å; R195-R254 VanDerWaalsContact NH1-CZ 3.34Å; R195-R254 VanDerWaalsContact NH1-NH1 3.11Å; D199-R254 IonicContact OD1-NH2 3.85Å; Y227-R254 PolarHBondContact O-NH1 2.88Å; A228-R254 PolarHBondContact O-NH1 3.28Å; D229-R254 IonicContact OD1-CZ 3.33Å; D229-R254 VanDerWaalsContact OD1-CZ 3.27Å; D229-R254 IonicContact OD1-NH1 2.7Å; D229-R254 PolarHBondContact OD1-NH1 3.03Å; D229-R254 IonicContact OD1-NH2 3.4Å; D229-R254 PolarHBondContact OD1-NH2 3.31Å; D229-R254 VanDerWaalsContact OD1-NH2 3.14Å; D229-R254 IonicContact OD2-NH1 3.1Å; D229-R254 IonicContact OD2-NH2 2.68Å; R254-N262 VanDerWaalsContact NH2-CG 3.29Å; R254-N262 PolarHBondContact NH2-ND2 3.27Å; R254-N262 PolarHBondContact NH2-OD1 3.44Å
255	S	56.9	Low	67.3	Low	46 Å²	46	59.2 Å²	59.2	32%	0.322	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-70.5	156.5	170.8	72.8	0	0	0	0	110.8	A253 E257	A253-S255 PolarHBondContact O-N 2.71Å; S255-E257 PolarHBondContact O-N 2.7Å; S255-E257 VanDerWaalsContact O-N 3.12Å
256	K	55.2	Low	64.9	Low	90 Å²	90	63.4 Å²	63.4	39%	0.391	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-64.1	-10.7	178.7	-78.7	-170.8	173.2	-174.4	0	114.7	N258 G259 H265 T266	K256-N258 PolarHBondContact O-N 3.1Å; K256-G259 PolarHBondContact O-N 3.49Å; K256-H265 WeakPolarHBondContact CE-O 3.33Å; K256-T266 HydrophobicContact CD-CG2 4.14Å; K256-T266 VanDerWaalsContact NZ-CG2 3.28Å
257	E	44.8	Very low	62.8	Low	175 Å²	175	69.1 Å²	69.1	82%	0.818	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-68.4	-2.1	-164.2	-106.7	179	165.2	0	0	116.4	S255	S255-E257 PolarHBondContact O-N 2.7Å; S255-E257 VanDerWaalsContact O-N 3.12Å
258	N	41.6	Very low	61.2	Low	123 Å²	123	72.5 Å²	72.5	66%	0.658	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-109.8	19.3	179.3	-71.7	-55.2	0	0	0	114.9	K256 V260	K256-N258 PolarHBondContact O-N 3.1Å; N258-V260 VanDerWaalsContact C-N 3.29Å; N258-V260 PolarHBondContact O-N 3.29Å
259	G	41.3	Very low	60.3	Low	79 Å²	79	74.6 Å²	74.6	81%	0.814	43%	0.43	S	S	*	.	S	Bend	trans	71.7	20.1	172.6	0	0	0	0	0	114.9	K256	K256-G259 PolarHBondContact O-N 3.49Å
260	V	40.9	Very low	59.7	Low	50 Å²	50	79.7 Å²	79.7	30%	0.303	46%	0.464	S	S	.	.			trans	-126.5	113.6	176.6	-170.5	0	0	0	0	108.4	R195 D199 N258 N262	R195-V260 HydrophobicContact CG-CG1 3.73Å; D199-V260 WeakPolarHBondContact OD2-CG1 3.27Å; N258-V260 VanDerWaalsContact C-N 3.29Å; N258-V260 PolarHBondContact O-N 3.29Å; V260-N262 PolarHBondContact O-N 3Å
261	E	38.8	Very low	59.5	Low	159 Å²	159	80.3 Å²	80.3	74%	0.743	47%	0.47	S	S	*	.			trans	-65.5	116.2	178.1	-80.7	-172.9	140.3	0	0	110.1	D199	D199-E261 WeakPolarHBondContact CB-O 3.21Å
262	N	42.9	Very low	59.4	Low	31 Å²	31	81.2 Å²	81.2	17%	0.166	48%	0.477	C	S	.	.			trans	-87.3	138.8	151.3	-77.8	-2.6	0	0	0	107.5	D199 R254 V260	D199-N262 VanDerWaalsContact CG-OD1 3.23Å; D199-N262 PolarHBondContact OD1-OD1 3.35Å; D199-N262 PolarHBondContact OD2-OD1 3.13Å; R254-N262 VanDerWaalsContact NH2-CG 3.29Å; R254-N262 PolarHBondContact NH2-ND2 3.27Å; R254-N262 PolarHBondContact NH2-OD1 3.44Å; V260-N262 PolarHBondContact O-N 3Å
263	G	44.3	Very low	59.8	Low	38 Å²	38	80 Å²	80	39%	0.392	47%	0.47	S	S	.	.	S	Bend	trans	-40	138.6	-178.7	0	0	0	0	0	115	H265	G263-H265 PolarHBondContact O-N 3.43Å
264	C	36.9	Very low	60.6	Low	117 Å²	117	82.2 Å²	82.2	79%	0.791	48%	0.475	S	S	*	.	S	Bend	trans	33.5	-10.9	173.6	58.9	0	0	0	0	123.1
265	H	37.9	Very low	61.7	Low	133 Å²	133	86.7 Å²	86.7	62%	0.616	49%	0.492	S	S	*	.			trans	-104.3	123.2	-174.7	-63.6	-62.8	0	0	0	111.3	K256 G263	K256-H265 WeakPolarHBondContact CE-O 3.33Å; G263-H265 PolarHBondContact O-N 3.43Å
266	T	47.3	Very low	63.7	Low	88 Å²	88	87.8 Å²	87.8	54%	0.54	49%	0.489	S	S	.	.			trans	-82.7	-23.7	-179	39.6	0	0	0	0	113.8	K256	K256-T266 HydrophobicContact CD-CG2 4.14Å; K256-T266 VanDerWaalsContact NZ-CG2 3.28Å
267	D	55.9	Low	65.8	Low	120 Å²	120	83.5 Å²	83.5	64%	0.642	47%	0.47	S	S	*	.	S	Bend	trans	-114.3	146.8	-173.3	-63.9	-35.9	0	0	0	112.5	A269	D267-A269 PolarHBondContact O-N 2.84Å
268	P	65.9	Low	68.3	Low	71 Å²	71	76.1 Å²	76.1	46%	0.461	44%	0.436	S	S	.	.			trans	-62.1	99	173.1	23	-29.7	0	0	0	110.5	I252	I252-P268 HydrophobicContact CG2-CB 3.5Å
269	A	78.7	Confident	71	Confident	45 Å²	45	74.6 Å²	74.6	37%	0.372	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-93.7	146.2	178.1	0	0	0	0	0	111.3	A253 D267 T271	A253-A269 WeakPolarHBondContact CB-O 3.41Å; A253-A269 PolarHBondContact N-O 3.33Å; D267-A269 PolarHBondContact O-N 2.84Å; A269-T271 PolarHBondContact O-N 2.93Å
270	P	86.2	Confident	73.8	Confident	110 Å²	110	71.1 Å²	71.1	71%	0.714	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-55.1	135.2	168.7	-23.5	33.5	0	0	0	111.4	K251 I252	K251-P270 CarbonylContact O-C 3.6Å; K251-P270 WeakPolarHBondContact O-CA 3.13Å; I252-P270 HydrophobicContact CD1-CB 4.4Å; I252-P270 HydrophobicContact CD1-CG 4.29Å
271	T	92.6	Very high	76.5	Confident	35 Å²	35	68.8 Å²	68.8	22%	0.215	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-88.9	162.6	170.6	74.1	0	0	0	0	110.2	R250 K251 A253 A269 F273	R250-T271 PolarHBondContact O-OG1 2.75Å; K251-T271 PolarHBondContact O-N 3.49Å; K251-T271 PolarHBondContact O-OG1 3.28Å; A253-T271 HydrophobicContact CB-CG2 4.16Å; A269-T271 PolarHBondContact O-N 2.93Å; T271-F273 HydrophobicContact CG2-CD2 4.02Å; T271-F273 HydrophobicContact CG2-CE2 3.96Å; T271-F273 PolarHBondContact OG1-N 3.21Å
272	D	94.6	Very high	79.4	Confident	71 Å²	71	62.3 Å²	62.3	38%	0.38	34%	0.344	S	S	.	.	S	Bend	trans	-95.6	10.1	172.1	69.1	-5.4	0	0	0	113.3	E274 R275 R276	D272-E274 PolarHBondContact O-N 3.33Å; D272-R275 PolarHBondContact O-N 2.66Å; D272-R276 WeakPolarHBondContact O-CG 3.22Å; D272-R276 PolarHBondContact O-N 2.68Å; D272-R276 VanDerWaalsContact O-N 3.12Å; D272-R276 WeakPolarHBondContact OD1-CD 3.22Å; D272-R276 IonicContact OD1-NH1 3.77Å; D272-R276 PolarHBondContact OD1-NH1 2.99Å; D272-R276 WeakPolarHBondContact OD2-CD 3.49Å; D272-R276 IonicContact OD2-NE 3.47Å; D272-R276 IonicContact OD2-NH1 3.56Å; D272-R276 PolarHBondContact OD2-NH1 3.25Å
273	F	97.8	Very high	82	Confident	26 Å²	26	65 Å²	65	11%	0.114	36%	0.364	C	S	.	.	H	α-helix	trans	-64.3	-41.7	-172.3	-62.6	-23.3	0	0	0	112.9	L110 V204 D229 R250 T271 R275 R276 I277	L110-F273 HydrophobicContact CD1-CD1 4.16Å; L110-F273 HydrophobicContact CD1-CE1 4.39Å; L110-F273 HydrophobicContact CD2-CD1 3.62Å; L110-F273 HydrophobicContact CD2-CE1 4.22Å; L110-F273 HydrophobicContact CD2-CG 4.44Å; V204-F273 HydrophobicContact CG2-CE1 4.36Å; V204-F273 HydrophobicContact CG2-CZ 4.3Å; D229-F273 HydrophobicContact CB-CE2 3.87Å; D229-F273 HydrophobicContact CB-CZ 4.32Å; R250-F273 HydrophobicContact CB-CD2 4.48Å; T271-F273 HydrophobicContact CG2-CD2 4.02Å; T271-F273 HydrophobicContact CG2-CE2 3.96Å; T271-F273 PolarHBondContact OG1-N 3.21Å; F273-R275 PolarHBondContact O-N 3.16Å; F273-R276 PolarHBondContact O-N 3.21Å; F273-I277 HydrophobicContact CB-CD1 4.24Å; F273-I277 VanDerWaalsContact O-CB 3.25Å; F273-I277 WeakPolarHBondContact O-CB 3.35Å; F273-I277 VanDerWaalsContact O-CG1 3.28Å; F273-I277 WeakPolarHBondContact O-CG1 3.47Å; F273-I277 PolarHBondContact O-N 3.43Å
274	E	97.7	Very high	84.6	Confident	80 Å²	80	65.6 Å²	65.6	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-54.4	-52.5	178.6	177.7	161	-154.8	0	0	111.3	Y249 D272 N278	Y249-E274 HydrophobicContact CD2-CB 3.92Å; Y249-E274 VanDerWaalsContact CE2-CA 3.46Å; Y249-E274 HydrophobicContact CE2-CB 3.39Å; Y249-E274 HydrophobicContact CE2-CG 3.6Å; D272-E274 PolarHBondContact O-N 3.33Å; E274-N278 WeakPolarHBondContact CG-ND2 3.31Å; E274-N278 WeakPolarHBondContact O-CB 3.45Å; E274-N278 PolarHBondContact O-N 3.32Å; E274-N278 PolarHBondContact O-ND2 3Å; E274-N278 VanDerWaalsContact O-ND2 3.09Å
275	R	97.8	Very high	87.5	Confident	134 Å²	134	63.8 Å²	63.8	51%	0.506	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-53.9	179.9	-173.5	-175	67.5	74.9	3.7	110.8	D272 F273 I277 N278 E279	D272-R275 PolarHBondContact O-N 2.66Å; F273-R275 PolarHBondContact O-N 3.16Å; R275-I277 PolarHBondContact O-N 3.18Å; R275-N278 PolarHBondContact O-N 2.86Å; R275-E279 WeakPolarHBondContact CD-OE1 3.08Å; R275-E279 HydrophobicContact CG-CG 4.36Å; R275-E279 WeakPolarHBondContact CG-OE1 3.24Å; R275-E279 IonicContact CZ-OE1 3.86Å; R275-E279 IonicContact CZ-OE2 3.89Å; R275-E279 IonicContact NH1-OE1 2.72Å; R275-E279 PolarHBondContact NH1-OE1 2.97Å; R275-E279 IonicContact NH1-OE2 3.25Å; R275-E279 PolarHBondContact NH1-OE2 3.36Å; R275-E279 VanDerWaalsContact O-CB 3.3Å; R275-E279 WeakPolarHBondContact O-CB 3.23Å; R275-E279 VanDerWaalsContact O-CG 3.27Å; R275-E279 WeakPolarHBondContact O-CG 3.36Å; R275-E279 PolarHBondContact O-N 3Å
276	R	98.5	Very high	90.4	Very high	69 Å²	69	58.3 Å²	58.3	26%	0.26	33%	0.327	S	S	.	.	H	α-helix	trans	-65.7	-38.6	-173.6	-70.3	172	65.7	-174.6	3.4	113.2	G109 L110 D272 F273 A280	G109-R276 PolarHBondContact O-NE 2.87Å; G109-R276 PolarHBondContact O-NH2 3.25Å; L110-R276 VanDerWaalsContact C-NH2 3.32Å; L110-R276 VanDerWaalsContact CA-NH2 3.27Å; L110-R276 HydrophobicContact CD2-CB 4.03Å; L110-R276 PolarHBondContact O-NH2 3.36Å; D272-R276 WeakPolarHBondContact O-CG 3.22Å; D272-R276 PolarHBondContact O-N 2.68Å; D272-R276 VanDerWaalsContact O-N 3.12Å; D272-R276 WeakPolarHBondContact OD1-CD 3.22Å; D272-R276 IonicContact OD1-NH1 3.77Å; D272-R276 PolarHBondContact OD1-NH1 2.99Å; D272-R276 WeakPolarHBondContact OD2-CD 3.49Å; D272-R276 IonicContact OD2-NE 3.47Å; D272-R276 IonicContact OD2-NH1 3.56Å; D272-R276 PolarHBondContact OD2-NH1 3.25Å; F273-R276 PolarHBondContact O-N 3.21Å; R276-A280 WeakPolarHBondContact O-CB 3.39Å; R276-A280 PolarHBondContact O-N 3.23Å
277	I	98.7	Very high	92.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-72.2	-46	177.4	-67.7	171.9	0	0	0	110.2	L110 V230 I247 Y249 F273 R275 E279 A280 V281	L110-I277 HydrophobicContact CD1-CD1 4.21Å; L110-I277 HydrophobicContact CD1-CG1 4.39Å; L110-I277 HydrophobicContact CD2-CG1 4.21Å; L110-I277 HydrophobicContact CG-CG1 4.24Å; V230-I277 HydrophobicContact CG1-CD1 4.16Å; V230-I277 HydrophobicContact CG2-CD1 4.16Å; I247-I277 HydrophobicContact CB-CG2 4.25Å; I247-I277 HydrophobicContact CD1-CG2 4.03Å; I247-I277 HydrophobicContact CG2-CD1 4.06Å; I247-I277 HydrophobicContact CG2-CG2 3.75Å; Y249-I277 HydrophobicContact CD1-CB 4.36Å; Y249-I277 HydrophobicContact CD1-CD1 3.81Å; Y249-I277 HydrophobicContact CD1-CG2 4.18Å; Y249-I277 HydrophobicContact CE1-CG2 4.36Å; Y249-I277 HydrophobicContact CG-CD1 4Å; F273-I277 HydrophobicContact CB-CD1 4.24Å; F273-I277 VanDerWaalsContact O-CB 3.25Å; F273-I277 WeakPolarHBondContact O-CB 3.35Å; F273-I277 VanDerWaalsContact O-CG1 3.28Å; F273-I277 WeakPolarHBondContact O-CG1 3.47Å; F273-I277 PolarHBondContact O-N 3.43Å; R275-I277 PolarHBondContact O-N 3.18Å; I277-E279 PolarHBondContact O-N 3.37Å; I277-A280 PolarHBondContact O-N 3.34Å; I277-V281 WeakPolarHBondContact O-CG2 3.48Å; I277-V281 PolarHBondContact O-N 3.3Å
278	N	98.7	Very high	94.8	Very high	19 Å²	19	49.9 Å²	49.9	10%	0.102	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-45.4	180	-70.5	-25.1	0	0	0	111.2	N93 Y249 E274 R275 A280 V281 F282	N93-N278 PolarHBondContact ND2-OD1 3.38Å; Y249-N278 PolarHBondContact OH-ND2 2.76Å; E274-N278 WeakPolarHBondContact CG-ND2 3.31Å; E274-N278 WeakPolarHBondContact O-CB 3.45Å; E274-N278 PolarHBondContact O-N 3.32Å; E274-N278 PolarHBondContact O-ND2 3Å; E274-N278 VanDerWaalsContact O-ND2 3.09Å; R275-N278 PolarHBondContact O-N 2.86Å; N278-A280 VanDerWaalsContact C-N 3.34Å; N278-A280 PolarHBondContact O-N 3.43Å; N278-V281 PolarHBondContact O-N 2.91Å; N278-F282 CarbonylContact O-C 3.5Å; N278-F282 PolarHBondContact O-N 2.9Å
279	E	98.5	Very high	96.4	Very high	91 Å²	91	46.9 Å²	46.9	43%	0.425	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-37.6	175.7	-73.8	172.9	-173.5	0	0	112.6	R275 I277 F282 G284	R275-E279 WeakPolarHBondContact CD-OE1 3.08Å; R275-E279 HydrophobicContact CG-CG 4.36Å; R275-E279 WeakPolarHBondContact CG-OE1 3.24Å; R275-E279 IonicContact CZ-OE1 3.86Å; R275-E279 IonicContact CZ-OE2 3.89Å; R275-E279 IonicContact NH1-OE1 2.72Å; R275-E279 PolarHBondContact NH1-OE1 2.97Å; R275-E279 IonicContact NH1-OE2 3.25Å; R275-E279 PolarHBondContact NH1-OE2 3.36Å; R275-E279 VanDerWaalsContact O-CB 3.3Å; R275-E279 WeakPolarHBondContact O-CB 3.23Å; R275-E279 VanDerWaalsContact O-CG 3.27Å; R275-E279 WeakPolarHBondContact O-CG 3.36Å; R275-E279 PolarHBondContact O-N 3Å; I277-E279 PolarHBondContact O-N 3.37Å; E279-F282 CarbonylContact C-O 3.21Å; E279-F282 VanDerWaalsContact CA-O 3.28Å; E279-F282 WeakPolarHBondContact CA-O 3.41Å; E279-F282 CarbonylContact O-C 3.15Å; E279-G284 WeakPolarHBondContact O-CA 3.41Å; E279-G284 PolarHBondContact O-N 3.12Å
280	A	98.7	Very high	97.3	Very high	7 Å²	7	49.1 Å²	49.1	6%	0.058	27%	0.269	C	S	.	.	I	π-helix	trans	-68.3	-37.8	176.7	0	0	0	0	0	112.4	A105 T108 R276 I277 N278 G284 L285	A105-A280 VanDerWaalsContact O-CB 3.27Å; A105-A280 WeakPolarHBondContact O-CB 3.33Å; T108-A280 HydrophobicContact CG2-CB 4.28Å; R276-A280 WeakPolarHBondContact O-CB 3.39Å; R276-A280 PolarHBondContact O-N 3.23Å; I277-A280 PolarHBondContact O-N 3.34Å; N278-A280 VanDerWaalsContact C-N 3.34Å; N278-A280 PolarHBondContact O-N 3.43Å; A280-G284 CarbonylContact O-C 3.59Å; A280-G284 WeakPolarHBondContact O-CA 3.44Å; A280-L285 WeakPolarHBondContact O-CB 3.28Å; A280-L285 WeakPolarHBondContact O-CD1 3.45Å; A280-L285 VanDerWaalsContact O-CG 3.3Å; A280-L285 WeakPolarHBondContact O-CG 3.41Å; A280-L285 PolarHBondContact O-N 2.98Å; A280-L285 VanDerWaalsContact O-N 3.08Å
281	V	98.8	Very high	97.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.235	C	C	.	.	I	π-helix	trans	-65.3	-54.5	172.6	172.3	0	0	0	0	109.8	Q95 P96 A105 I247 I277 N278 L285 Q286	Q95-V281 HydrophobicContact CB-CG1 4.19Å; P96-V281 HydrophobicContact CG-CG2 4.16Å; A105-V281 HydrophobicContact CB-CG2 3.76Å; I247-V281 HydrophobicContact CD1-CG2 3.98Å; I277-V281 WeakPolarHBondContact O-CG2 3.48Å; I277-V281 PolarHBondContact O-N 3.3Å; N278-V281 PolarHBondContact O-N 2.91Å; V281-L285 PolarHBondContact O-N 3.45Å; V281-Q286 WeakPolarHBondContact O-CB 3.05Å; V281-Q286 PolarHBondContact O-N 3.32Å
282	F	98.7	Very high	98.2	Very high	22 Å²	22	43.3 Å²	43.3	10%	0.096	23%	0.23	C	C	.	.	I	π-helix	trans	-144.3	129.3	176.4	173.6	-83.7	0	0	0	109.3	E54 Y61 N278 E279 Q286 G287	E54-F282 HydrophobicContact CB-CE1 4.44Å; E54-F282 HydrophobicContact CB-CE2 3.75Å; E54-F282 HydrophobicContact CB-CZ 3.67Å; E54-F282 HydrophobicContact CG-CD2 4.35Å; E54-F282 HydrophobicContact CG-CE2 3.59Å; E54-F282 HydrophobicContact CG-CZ 4.04Å; Y61-F282 HydrophobicContact CD2-CE1 4.01Å; Y61-F282 HydrophobicContact CD2-CZ 4.11Å; Y61-F282 AromaticContact CE2-CE1 3.41Å; Y61-F282 HydrophobicContact CE2-CE1 3.41Å; Y61-F282 VanDerWaalsContact CE2-CE1 3.41Å; Y61-F282 AromaticContact CE2-CZ 3.82Å; Y61-F282 HydrophobicContact CE2-CZ 3.82Å; Y61-F282 AromaticContact CZ-CE1 3.98Å; N278-F282 CarbonylContact O-C 3.5Å; N278-F282 PolarHBondContact O-N 2.9Å; E279-F282 CarbonylContact C-O 3.21Å; E279-F282 VanDerWaalsContact CA-O 3.28Å; E279-F282 WeakPolarHBondContact CA-O 3.41Å; E279-F282 CarbonylContact O-C 3.15Å; F282-Q286 VanDerWaalsContact CD2-O 3.23Å; F282-Q286 WeakPolarHBondContact CD2-O 3.44Å; F282-G287 WeakPolarHBondContact CD2-O 3.3Å
283	P	98.2	Very high	98.4	Very high	88 Å²	88	40.9 Å²	40.9	57%	0.571	22%	0.218	S	C	*	.	I	π-helix	cis	-89.1	8.3	9.5	36	-37.3	0	0	0	114.5
284	G	98.2	Very high	98.5	Very high	51 Å²	51	39.8 Å²	39.8	53%	0.526	21%	0.213	S	C	.	.	I	π-helix	trans	-64	-47.6	-169.9	0	0	0	0	0	115.3	E279 A280	E279-G284 WeakPolarHBondContact O-CA 3.41Å; E279-G284 PolarHBondContact O-N 3.12Å; A280-G284 CarbonylContact O-C 3.59Å; A280-G284 WeakPolarHBondContact O-CA 3.44Å
285	L	98.4	Very high	98.5	Very high	78 Å²	78	36.3 Å²	36.3	41%	0.408	20%	0.198	S	C	.	.	I	π-helix	trans	-129.2	-22.2	-168.7	-66.1	169	0	0	0	114.7	F104 A105 A280 V281	F104-L285 HydrophobicContact CD1-CD1 3.9Å; F104-L285 HydrophobicContact CD1-CD2 4.07Å; F104-L285 HydrophobicContact CE1-CD2 4.07Å; A105-L285 VanDerWaalsContact CA-CD1 3.45Å; A105-L285 HydrophobicContact CB-CD1 3.77Å; A280-L285 WeakPolarHBondContact O-CB 3.28Å; A280-L285 WeakPolarHBondContact O-CD1 3.45Å; A280-L285 VanDerWaalsContact O-CG 3.3Å; A280-L285 WeakPolarHBondContact O-CG 3.41Å; A280-L285 PolarHBondContact O-N 2.98Å; A280-L285 VanDerWaalsContact O-N 3.08Å; V281-L285 PolarHBondContact O-N 3.45Å
286	Q	98.7	Very high	98.6	Very high	19 Å²	19	29.9 Å²	29.9	9%	0.089	17%	0.174	C	C	.	.			trans	-124.3	162	-179.3	-55.4	-170.4	165	0	0	110.8	Q95 Y97 V281 F282	Q95-Q286 PolarHBondContact O-NE2 3.04Å; Y97-Q286 HydrophobicContact CD2-CG 4.06Å; Y97-Q286 HydrophobicContact CE2-CB 3.92Å; Y97-Q286 HydrophobicContact CE2-CG 3.74Å; V281-Q286 WeakPolarHBondContact O-CB 3.05Å; V281-Q286 PolarHBondContact O-N 3.32Å; F282-Q286 VanDerWaalsContact CD2-O 3.23Å; F282-Q286 WeakPolarHBondContact CD2-O 3.44Å
287	G	98.2	Very high	98.6	Very high	23 Å²	23	26.7 Å²	26.7	24%	0.237	16%	0.162	C	C	.	.			trans	-102.3	-124.7	169.5	0	0	0	0	0	111.3	F282	F282-G287 WeakPolarHBondContact CD2-O 3.3Å
288	G	97.7	Very high	98.6	Very high	8 Å²	8	26.9 Å²	26.9	8%	0.082	16%	0.163	C	C	.	.	S	Bend	trans	-63.5	129.4	179.8	0	0	0	0	0	114.2	Y52 E54 Y97	Y52-G288 PolarHBondContact OH-N 3.41Å; E54-G288 PolarHBondContact OE1-N 2.97Å; Y97-G288 PolarHBondContact OH-O 2.83Å
289	P	98.5	Very high	98.6	Very high	7 Å²	7	27.9 Å²	27.9	5%	0.045	17%	0.17	C	C	.	.			trans	-66.1	147.1	178.7	28.3	-35.3	0	0	0	112.2	S53 Q95 N291 I294	S53-P289 WeakPolarHBondContact O-CD 3.01Å; S53-P289 WeakPolarHBondContact O-CG 3.25Å; S53-P289 WeakPolarHBondContact OG-CG 3.44Å; Q95-P289 HydrophobicContact CB-CB 4.23Å; Q95-P289 HydrophobicContact CG-CB 3.97Å; P289-N291 PolarHBondContact O-N 3.13Å; P289-I294 HydrophobicContact CB-CD1 3.98Å
290	H	98.8	Very high	98.6	Very high	93 Å²	93	23.7 Å²	23.7	43%	0.431	15%	0.151	S	C	.	.			trans	-79.8	82.4	175.8	-69.2	-166.6	0	0	0	110.6	Y97 N292 T293 I294	Y97-H290 AromaticContact CD1-CD2 3.93Å; Y97-H290 AromaticContact CD1-CG 4Å; Y97-H290 AromaticContact CE1-CD2 3.45Å; Y97-H290 VanDerWaalsContact CE1-CD2 3.45Å; Y97-H290 WeakPolarHBondContact CE1-CD2 3.32Å; Y97-H290 AromaticContact CE1-CG 3.95Å; Y97-H290 AromaticContact CE1-NE2 3.68Å; Y97-H290 AromaticContact CZ-NE2 3.92Å; H290-N292 VanDerWaalsContact C-N 3.29Å; H290-N292 PolarHBondContact O-N 2.81Å; H290-T293 WeakPolarHBondContact O-CA 3.33Å; H290-T293 WeakPolarHBondContact O-CB 3.3Å; H290-T293 PolarHBondContact O-N 3.24Å; H290-I294 PolarHBondContact O-N 3.01Å
291	N	98.8	Very high	98.7	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	15%	0.148	C	C	.	.	H	α-helix	trans	-57.8	-35.3	-173	-74.1	-51.4	0	0	0	114.3	F48 K51 S53 V68 M71 P289 I294 A295	F48-N291 HydrophobicContact CB-CB 4.07Å; F48-N291 WeakPolarHBondContact O-CB 3.39Å; K51-N291 PolarHBondContact O-ND2 3.38Å; S53-N291 PolarHBondContact OG-ND2 2.8Å; S53-N291 PolarHBondContact OG-OD1 3.12Å; V68-N291 HydrophobicContact CG1-CB 4.25Å; M71-N291 HydrophobicContact CE-CB 3.88Å; M71-N291 WeakPolarHBondContact CE-O 3.23Å; P289-N291 PolarHBondContact O-N 3.13Å; N291-I294 PolarHBondContact O-N 3Å; N291-A295 WeakPolarHBondContact O-CB 3.5Å; N291-A295 PolarHBondContact O-N 3.37Å
292	N	98.7	Very high	98.7	Very high	21 Å²	21	30 Å²	30	11%	0.112	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-39.8	174.4	60.5	-40.6	0	0	0	112.1	L44 F48 H49 H290 A295 A296	L44-N292 WeakPolarHBondContact O-CB 3.35Å; L44-N292 PolarHBondContact O-ND2 3.19Å; F48-N292 HydrophobicContact CB-CB 4.04Å; H49-N292 HydrophobicContact CB-CB 4.23Å; H290-N292 VanDerWaalsContact C-N 3.29Å; H290-N292 PolarHBondContact O-N 2.81Å; N292-A295 PolarHBondContact O-N 2.96Å; N292-A296 WeakPolarHBondContact O-CB 3.37Å; N292-A296 PolarHBondContact O-N 2.85Å
293	T	98.9	Very high	98.7	Very high	19 Å²	19	31.1 Å²	31.1	12%	0.117	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-43.8	171.9	-61.2	0	0	0	0	111	P242 R243 H290 A295 A296 I297	P242-T293 HydrophobicContact CB-CG2 4.44Å; P242-T293 HydrophobicContact CG-CG2 4.21Å; R243-T293 WeakPolarHBondContact O-CG2 3.1Å; H290-T293 WeakPolarHBondContact O-CA 3.33Å; H290-T293 WeakPolarHBondContact O-CB 3.3Å; H290-T293 PolarHBondContact O-N 3.24Å; T293-A295 VanDerWaalsContact C-N 3.33Å; T293-A295 PolarHBondContact O-N 3.13Å; T293-A296 CarbonylContact O-C 3.26Å; T293-A296 WeakPolarHBondContact O-CB 3.48Å; T293-A296 PolarHBondContact O-N 2.89Å; T293-I297 HydrophobicContact CG2-CD1 4.07Å; T293-I297 HydrophobicContact CG2-CG1 4.38Å; T293-I297 VanDerWaalsContact O-CG1 3.29Å; T293-I297 WeakPolarHBondContact O-CG1 3.32Å; T293-I297 PolarHBondContact O-N 3Å
294	I	98.9	Very high	98.7	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-40.5	178.5	-59.3	172.6	0	0	0	111	M71 E72 C75 V94 Q95 P289 H290 N291 A296 I297 A298	M71-I294 HydrophobicContact CE-CB 4.09Å; M71-I294 HydrophobicContact CE-CG2 4.17Å; M71-I294 HydrophobicContact SD-CB 3.82Å; M71-I294 HydrophobicContact SD-CG2 3.5Å; M71-I294 WeakPolarHBondContact SD-CG2 3.47Å; E72-I294 HydrophobicContact CG-CG2 4.35Å; C75-I294 HydrophobicContact CB-CG2 3.74Å; C75-I294 PolarHBondContact SG-O 2.81Å; V94-I294 HydrophobicContact CG2-CD1 4.46Å; V94-I294 HydrophobicContact CG2-CG2 3.79Å; Q95-I294 HydrophobicContact CG-CD1 4.1Å; P289-I294 HydrophobicContact CB-CD1 3.98Å; H290-I294 PolarHBondContact O-N 3.01Å; N291-I294 PolarHBondContact O-N 3Å; I294-A296 VanDerWaalsContact C-N 3.34Å; I294-A296 PolarHBondContact O-N 3.25Å; I294-I297 PolarHBondContact O-N 3.44Å; I294-A298 PolarHBondContact O-N 3.15Å
295	A	98.9	Very high	98.7	Very high	7 Å²	7	28 Å²	28	6%	0.058	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-43.8	174.7	0	0	0	0	0	111.4	F48 M71 N291 N292 T293 A298 V299	F48-A295 HydrophobicContact CD2-CB 3.46Å; F48-A295 VanDerWaalsContact CD2-CB 3.46Å; F48-A295 HydrophobicContact CE2-CB 3.75Å; F48-A295 HydrophobicContact CG-CB 4.18Å; M71-A295 HydrophobicContact CG-CB 3.89Å; M71-A295 HydrophobicContact SD-CB 3.96Å; M71-A295 PolarHBondContact SD-N 2.83Å; M71-A295 VanDerWaalsContact SD-N 3.41Å; N291-A295 WeakPolarHBondContact O-CB 3.5Å; N291-A295 PolarHBondContact O-N 3.37Å; N292-A295 PolarHBondContact O-N 2.96Å; T293-A295 VanDerWaalsContact C-N 3.33Å; T293-A295 PolarHBondContact O-N 3.13Å; A295-A298 WeakPolarHBondContact O-CB 3.2Å; A295-A298 PolarHBondContact O-N 2.97Å; A295-V299 PolarHBondContact O-N 3.12Å
296	A	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-36.7	176	0	0	0	0	0	112.8	V40 A43 L44 P242 N292 T293 I294 A298 V299 C300	V40-A296 HydrophobicContact CG1-CB 3.91Å; V40-A296 WeakPolarHBondContact O-CB 3.38Å; A43-A296 HydrophobicContact CB-CB 3.91Å; L44-A296 HydrophobicContact CD2-CB 3.88Å; L44-A296 HydrophobicContact CG-CB 3.68Å; P242-A296 HydrophobicContact CB-CB 3.99Å; P242-A296 HydrophobicContact CG-CB 3.75Å; N292-A296 WeakPolarHBondContact O-CB 3.37Å; N292-A296 PolarHBondContact O-N 2.85Å; T293-A296 CarbonylContact O-C 3.26Å; T293-A296 WeakPolarHBondContact O-CB 3.48Å; T293-A296 PolarHBondContact O-N 2.89Å; I294-A296 VanDerWaalsContact C-N 3.34Å; I294-A296 PolarHBondContact O-N 3.25Å; A296-A298 VanDerWaalsContact C-N 3.34Å; A296-V299 PolarHBondContact O-N 2.78Å; A296-C300 PolarHBondContact O-N 3.22Å
297	I	98.9	Very high	98.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-46	170.1	-67.3	169.4	0	0	0	109.2	T235 P242 M246 T293 I294 V299 C300 L301	T235-I297 HydrophobicContact CG2-CD1 3.94Å; T235-I297 HydrophobicContact CG2-CG1 3.91Å; T235-I297 HydrophobicContact CG2-CG2 4.03Å; P242-I297 HydrophobicContact CG-CB 4.42Å; P242-I297 HydrophobicContact CG-CG1 3.52Å; M246-I297 HydrophobicContact SD-CG2 4.06Å; T293-I297 HydrophobicContact CG2-CD1 4.07Å; T293-I297 HydrophobicContact CG2-CG1 4.38Å; T293-I297 VanDerWaalsContact O-CG1 3.29Å; T293-I297 WeakPolarHBondContact O-CG1 3.32Å; T293-I297 PolarHBondContact O-N 3Å; I294-I297 PolarHBondContact O-N 3.44Å; I297-V299 VanDerWaalsContact C-N 3.27Å; I297-V299 PolarHBondContact O-N 3.38Å; I297-C300 PolarHBondContact O-N 3.31Å; I297-C300 VanDerWaalsContact O-N 3.15Å; I297-L301 HydrophobicContact CG2-CD1 3.69Å; I297-L301 HydrophobicContact CG2-CG 3.99Å; I297-L301 VanDerWaalsContact O-CG 3.24Å; I297-L301 WeakPolarHBondContact O-CG 3.42Å; I297-L301 PolarHBondContact O-N 2.96Å
298	A	98.9	Very high	98.7	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-37.8	178.9	0	0	0	0	0	112.6	C75 R78 I294 A295 A296 K302	C75-A298 HydrophobicContact CB-CB 3.84Å; R78-A298 VanDerWaalsContact CD-O 3.27Å; R78-A298 WeakPolarHBondContact CD-O 3.38Å; R78-A298 PolarHBondContact NH1-O 2.95Å; I294-A298 PolarHBondContact O-N 3.15Å; A295-A298 WeakPolarHBondContact O-CB 3.2Å; A295-A298 PolarHBondContact O-N 2.97Å; A296-A298 VanDerWaalsContact C-N 3.34Å; A298-K302 PolarHBondContact O-N 2.85Å
299	V	98.9	Very high	98.8	Very high	39 Å²	39	34.6 Å²	34.6	24%	0.236	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-52.8	173.4	175.8	0	0	0	0	110.3	A39 V40 A43 A295 A296 I297 L301 K302 E303	A39-V299 HydrophobicContact CB-CG1 3.82Å; V40-V299 HydrophobicContact CG2-CB 4.07Å; V40-V299 HydrophobicContact CG2-CG1 3.75Å; A43-V299 HydrophobicContact CB-CG2 4.07Å; A295-V299 PolarHBondContact O-N 3.12Å; A296-V299 PolarHBondContact O-N 2.78Å; I297-V299 VanDerWaalsContact C-N 3.27Å; I297-V299 PolarHBondContact O-N 3.38Å; V299-L301 VanDerWaalsContact C-N 3.31Å; V299-L301 PolarHBondContact O-N 3.14Å; V299-K302 WeakPolarHBondContact O-CB 3.25Å; V299-K302 PolarHBondContact O-N 2.69Å; V299-E303 PolarHBondContact O-N 2.88Å; V299-E303 VanDerWaalsContact O-N 3.11Å
300	C	98.7	Very high	98.8	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-57.4	-41.7	179.2	174.1	0	0	0	0	112.5	V40 I239 G241 A296 I297 K302 E303 A304	V40-C300 HydrophobicContact CG2-CB 3.82Å; I239-C300 VanDerWaalsContact CG2-SG 3.58Å; I239-C300 PolarHBondContact O-SG 3.44Å; I239-C300 VanDerWaalsContact O-SG 3.37Å; G241-C300 WeakPolarHBondContact CA-SG 3.19Å; G241-C300 PolarHBondContact N-SG 3.29Å; A296-C300 PolarHBondContact O-N 3.22Å; I297-C300 PolarHBondContact O-N 3.31Å; I297-C300 VanDerWaalsContact O-N 3.15Å; C300-K302 PolarHBondContact O-N 2.98Å; C300-E303 WeakPolarHBondContact O-CB 3.46Å; C300-E303 PolarHBondContact O-N 3.14Å; C300-E303 VanDerWaalsContact O-N 3.1Å; C300-A304 WeakPolarHBondContact O-CB 3.35Å; C300-A304 PolarHBondContact O-N 3.4Å
301	L	98.9	Very high	98.8	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-32.4	177.7	-68	169.6	0	0	0	112.5	R78 A79 L82 M246 I297 V299 A305	R78-L301 HydrophobicContact CB-CB 3.85Å; R78-L301 HydrophobicContact CB-CD1 4.06Å; A79-L301 HydrophobicContact CB-CD1 3.77Å; L82-L301 HydrophobicContact CD2-CD2 3.47Å; L82-L301 VanDerWaalsContact CD2-CD2 3.47Å; M246-L301 HydrophobicContact CE-CD2 3.98Å; M246-L301 HydrophobicContact SD-CD1 4.18Å; M246-L301 HydrophobicContact SD-CD2 4.18Å; I297-L301 HydrophobicContact CG2-CD1 3.69Å; I297-L301 HydrophobicContact CG2-CG 3.99Å; I297-L301 VanDerWaalsContact O-CG 3.24Å; I297-L301 WeakPolarHBondContact O-CG 3.42Å; I297-L301 PolarHBondContact O-N 2.96Å; V299-L301 VanDerWaalsContact C-N 3.31Å; V299-L301 PolarHBondContact O-N 3.14Å; L301-A305 PolarHBondContact O-N 2.77Å
302	K	98.8	Very high	98.8	Very high	138 Å²	138	39.6 Å²	39.6	60%	0.6	22%	0.218	S	C	*	.	H	α-helix	trans	-69.2	-42.6	173.3	-178.5	-175.4	174.4	-172.3	0	111	A298 V299 C300 A305	A298-K302 PolarHBondContact O-N 2.85Å; V299-K302 WeakPolarHBondContact O-CB 3.25Å; V299-K302 PolarHBondContact O-N 2.69Å; C300-K302 PolarHBondContact O-N 2.98Å; K302-A305 PolarHBondContact O-N 2.61Å
303	E	98.7	Very high	98.8	Very high	46 Å²	46	38.6 Å²	38.6	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-44.4	175.2	-64.1	174.6	-178	0	0	110.9	S37 V299 C300 A305 S306 Y309	S37-E303 VanDerWaalsContact CB-OE1 3.31Å; S37-E303 WeakPolarHBondContact CB-OE1 3.27Å; S37-E303 WeakPolarHBondContact CB-OE2 3.44Å; S37-E303 VanDerWaalsContact OG-CD 3.28Å; S37-E303 PolarHBondContact OG-OE1 3.25Å; S37-E303 PolarHBondContact OG-OE2 2.92Å; V299-E303 PolarHBondContact O-N 2.88Å; V299-E303 VanDerWaalsContact O-N 3.11Å; C300-E303 WeakPolarHBondContact O-CB 3.46Å; C300-E303 PolarHBondContact O-N 3.14Å; C300-E303 VanDerWaalsContact O-N 3.1Å; E303-A305 PolarHBondContact O-N 3.38Å; E303-S306 WeakPolarHBondContact O-CB 3.42Å; E303-S306 PolarHBondContact O-N 3.34Å; E303-S306 PolarHBondContact O-OG 3.04Å; E303-Y309 WeakPolarHBondContact O-CB 3.48Å
304	A	98.8	Very high	98.8	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-24.6	179.4	0	0	0	0	0	113.7	L82 C300 S306 Y309	L82-A304 VanDerWaalsContact CD1-C 3.46Å; L82-A304 HydrophobicContact CD1-CB 3.76Å; L82-A304 HydrophobicContact CD2-CB 3.79Å; L82-A304 HydrophobicContact CG-CB 4.45Å; C300-A304 WeakPolarHBondContact O-CB 3.35Å; C300-A304 PolarHBondContact O-N 3.4Å; A304-S306 VanDerWaalsContact C-N 3.31Å; A304-Y309 VanDerWaalsContact CA-CG 3.49Å; A304-Y309 HydrophobicContact CB-CD1 4.22Å; A304-Y309 HydrophobicContact CB-CD2 4.37Å; A304-Y309 HydrophobicContact CB-CE1 3.96Å; A304-Y309 HydrophobicContact CB-CE2 4.09Å; A304-Y309 HydrophobicContact CB-CG 4.41Å; A304-Y309 WeakPolarHBondContact O-CD1 3.41Å
305	A	98.6	Very high	98.8	Very high	69 Å²	69	41.7 Å²	41.7	57%	0.57	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.7	176.4	0	0	0	0	0	113.6	L82 L301 K302 E303	L82-A305 HydrophobicContact CD1-CB 3.93Å; L301-A305 PolarHBondContact O-N 2.77Å; K302-A305 PolarHBondContact O-N 2.61Å; E303-A305 PolarHBondContact O-N 3.38Å
306	S	98.6	Very high	98.8	Very high	35 Å²	35	41.3 Å²	41.3	25%	0.245	22%	0.223	C	C	.	.	S	Bend	trans	-82.8	152.7	-175.7	100.4	0	0	0	0	112.6	E303 A304 E308 Y309 K310	E303-S306 WeakPolarHBondContact O-CB 3.42Å; E303-S306 PolarHBondContact O-N 3.34Å; E303-S306 PolarHBondContact O-OG 3.04Å; A304-S306 VanDerWaalsContact C-N 3.31Å; S306-E308 VanDerWaalsContact C-N 3.28Å; S306-E308 WeakPolarHBondContact CB-OE2 3.49Å; S306-E308 PolarHBondContact O-N 3.35Å; S306-E308 PolarHBondContact OG-N 3.41Å; S306-E308 PolarHBondContact OG-OE2 2.67Å; S306-Y309 WeakPolarHBondContact O-CB 3.31Å; S306-Y309 PolarHBondContact O-N 3.49Å; S306-Y309 PolarHBondContact OG-N 3.19Å; S306-K310 PolarHBondContact O-N 3.4Å
307	P	98.5	Very high	98.8	Very high	97 Å²	97	42.5 Å²	42.5	63%	0.63	23%	0.229	S	C	*	.	H	α-helix	trans	-58.2	-38.4	173.4	-24.3	34.8	0	0	0	113.2	Y309 K310 V311	P307-Y309 PolarHBondContact O-N 3.01Å; P307-K310 WeakPolarHBondContact O-CB 3.3Å; P307-K310 PolarHBondContact O-N 3.02Å; P307-K310 VanDerWaalsContact O-N 3.13Å; P307-V311 PolarHBondContact O-N 3.49Å; P307-V311 VanDerWaalsContact O-N 3.13Å
308	E	98.4	Very high	98.8	Very high	131 Å²	131	46.9 Å²	46.9	61%	0.612	25%	0.248	S	C	*	.	H	α-helix	trans	-63.1	-33.9	178.6	-56.3	72.6	-156.1	0	0	111.4	S306 V311 Y312	S306-E308 VanDerWaalsContact C-N 3.28Å; S306-E308 WeakPolarHBondContact CB-OE2 3.49Å; S306-E308 PolarHBondContact O-N 3.35Å; S306-E308 PolarHBondContact OG-N 3.41Å; S306-E308 PolarHBondContact OG-OE2 2.67Å; E308-V311 PolarHBondContact O-N 2.82Å; E308-Y312 PolarHBondContact O-N 3.27Å
309	Y	98.8	Very high	98.8	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-66.7	-37.7	175.1	-173	-90.3	0	0	0	112.5	G214 T238 I239 E303 A304 S306 P307 Y312 Q313	G214-Y309 WeakPolarHBondContact CA-OH 3.23Å; T238-Y309 PolarHBondContact O-OH 3.39Å; I239-Y309 VanDerWaalsContact CA-OH 3.23Å; I239-Y309 WeakPolarHBondContact CA-OH 3.19Å; I239-Y309 PolarHBondContact O-OH 3.48Å; E303-Y309 WeakPolarHBondContact O-CB 3.48Å; A304-Y309 VanDerWaalsContact CA-CG 3.49Å; A304-Y309 HydrophobicContact CB-CD1 4.22Å; A304-Y309 HydrophobicContact CB-CD2 4.37Å; A304-Y309 HydrophobicContact CB-CE1 3.96Å; A304-Y309 HydrophobicContact CB-CE2 4.09Å; A304-Y309 HydrophobicContact CB-CG 4.41Å; A304-Y309 WeakPolarHBondContact O-CD1 3.41Å; S306-Y309 WeakPolarHBondContact O-CB 3.31Å; S306-Y309 PolarHBondContact O-N 3.49Å; S306-Y309 PolarHBondContact OG-N 3.19Å; P307-Y309 PolarHBondContact O-N 3.01Å; Y309-Y312 HydrophobicContact CD2-CD1 4.12Å; Y309-Y312 HydrophobicContact CE2-CD1 4.12Å; Y309-Y312 HydrophobicContact CE2-CE1 4.27Å; Y309-Y312 WeakPolarHBondContact O-CB 3.32Å; Y309-Y312 PolarHBondContact O-N 3.02Å; Y309-Q313 HydrophobicContact CD1-CG 3.94Å; Y309-Q313 HydrophobicContact CE1-CG 3.58Å; Y309-Q313 WeakPolarHBondContact O-CG 3.28Å; Y309-Q313 PolarHBondContact O-N 2.89Å; Y309-Q313 PolarHBondContact OH-NE2 2.59Å
310	K	98.8	Very high	98.8	Very high	97 Å²	97	44.9 Å²	44.9	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-44.9	173.1	-177	173.9	-179.8	180	0	111.1	A218 S306 P307 Y312 Q313 E314	A218-K310 HydrophobicContact CB-CB 4.42Å; A218-K310 HydrophobicContact CB-CG 4.28Å; S306-K310 PolarHBondContact O-N 3.4Å; P307-K310 WeakPolarHBondContact O-CB 3.3Å; P307-K310 PolarHBondContact O-N 3.02Å; P307-K310 VanDerWaalsContact O-N 3.13Å; K310-Y312 VanDerWaalsContact C-N 3.3Å; K310-Y312 PolarHBondContact O-N 2.8Å; K310-Q313 PolarHBondContact O-N 2.79Å; K310-Q313 VanDerWaalsContact O-N 3.15Å; K310-E314 WeakPolarHBondContact O-CG 3.5Å; K310-E314 PolarHBondContact O-N 3.24Å
311	V	98.7	Very high	98.8	Very high	90 Å²	90	51 Å²	51	55%	0.545	26%	0.262	S	S	.	.	H	α-helix	trans	-58.1	-43.5	174.6	176	0	0	0	0	111.1	P307 E308 Q313 E314 Q315	P307-V311 PolarHBondContact O-N 3.49Å; P307-V311 VanDerWaalsContact O-N 3.13Å; E308-V311 PolarHBondContact O-N 2.82Å; V311-Q313 PolarHBondContact O-N 2.94Å; V311-E314 PolarHBondContact O-N 2.84Å; V311-Q315 PolarHBondContact O-N 3.01Å
312	Y	98.8	Very high	98.8	Very high	21 Å²	21	52.7 Å²	52.7	8%	0.082	27%	0.269	C	S	.	.	H	α-helix	trans	-56.5	-49.3	173.5	158.4	-109.2	0	0	0	112.1	N34 E308 Y309 K310 E314 Q315 V316 A391 T394 S395	N34-Y312 PolarHBondContact ND2-OH 3.1Å; E308-Y312 PolarHBondContact O-N 3.27Å; Y309-Y312 HydrophobicContact CD2-CD1 4.12Å; Y309-Y312 HydrophobicContact CE2-CD1 4.12Å; Y309-Y312 HydrophobicContact CE2-CE1 4.27Å; Y309-Y312 WeakPolarHBondContact O-CB 3.32Å; Y309-Y312 PolarHBondContact O-N 3.02Å; K310-Y312 VanDerWaalsContact C-N 3.3Å; K310-Y312 PolarHBondContact O-N 2.8Å; Y312-E314 VanDerWaalsContact C-N 3.35Å; Y312-E314 PolarHBondContact O-N 3.2Å; Y312-Q315 WeakPolarHBondContact O-CB 3.3Å; Y312-Q315 PolarHBondContact O-N 3.23Å; Y312-Q315 VanDerWaalsContact O-N 3.14Å; Y312-V316 HydrophobicContact CD2-CG2 4.14Å; Y312-V316 HydrophobicContact CE1-CG2 4.24Å; Y312-V316 HydrophobicContact CE2-CG2 3.6Å; Y312-V316 WeakPolarHBondContact O-CG2 3.44Å; Y312-V316 PolarHBondContact O-N 2.94Å; Y312-A391 PolarHBondContact OH-O 3.11Å; Y312-T394 HydrophobicContact CD2-CG2 3.87Å; Y312-T394 HydrophobicContact CE2-CG2 3.87Å; Y312-S395 VanDerWaalsContact CE2-OG 3.25Å; Y312-S395 WeakPolarHBondContact CE2-OG 3.37Å; Y312-S395 VanDerWaalsContact CZ-OG 3.32Å; Y312-S395 PolarHBondContact OH-OG 3.31Å
313	Q	98.9	Very high	98.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-32.3	-179.4	-65.6	-67.1	-4.2	0	0	112.9	L215 A218 L220 T238 Y309 K310 V311 Q315 V316 L317	L215-Q313 HydrophobicContact CD2-CB 4.25Å; A218-Q313 HydrophobicContact CB-CB 3.66Å; A218-Q313 HydrophobicContact CB-CG 3.75Å; L220-Q313 VanDerWaalsContact CD1-C 3.48Å; L220-Q313 HydrophobicContact CD1-CB 3.62Å; T238-Q313 PolarHBondContact O-NE2 3.21Å; Y309-Q313 HydrophobicContact CD1-CG 3.94Å; Y309-Q313 HydrophobicContact CE1-CG 3.58Å; Y309-Q313 WeakPolarHBondContact O-CG 3.28Å; Y309-Q313 PolarHBondContact O-N 2.89Å; Y309-Q313 PolarHBondContact OH-NE2 2.59Å; K310-Q313 PolarHBondContact O-N 2.79Å; K310-Q313 VanDerWaalsContact O-N 3.15Å; V311-Q313 PolarHBondContact O-N 2.94Å; Q313-Q315 VanDerWaalsContact C-N 3.32Å; Q313-V316 WeakPolarHBondContact O-CB 3.38Å; Q313-V316 PolarHBondContact O-N 3.03Å; Q313-L317 PolarHBondContact O-N 3.32Å
314	E	98.9	Very high	98.8	Very high	65 Å²	65	44.3 Å²	44.3	30%	0.304	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-43.9	170.2	-71.6	175.2	-179.2	0	0	110.6	L220 K310 V311 Y312 V316 L317 K318	L220-E314 HydrophobicContact CD1-CB 4.25Å; L220-E314 HydrophobicContact CD1-CG 3.55Å; L220-E314 VanDerWaalsContact CD1-N 3.33Å; L220-E314 HydrophobicContact CD2-CG 3.83Å; L220-E314 HydrophobicContact CG-CG 4.33Å; K310-E314 WeakPolarHBondContact O-CG 3.5Å; K310-E314 PolarHBondContact O-N 3.24Å; V311-E314 PolarHBondContact O-N 2.84Å; Y312-E314 VanDerWaalsContact C-N 3.35Å; Y312-E314 PolarHBondContact O-N 3.2Å; E314-V316 VanDerWaalsContact C-N 3.33Å; E314-V316 PolarHBondContact O-N 3.5Å; E314-L317 PolarHBondContact O-N 3.13Å; E314-K318 WeakPolarHBondContact O-CG 3.44Å; E314-K318 PolarHBondContact O-N 3.08Å
315	Q	98.9	Very high	98.8	Very high	21 Å²	21	50.8 Å²	50.8	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-38.1	176.5	-164.3	59.7	44.5	0	0	111.9	V311 Y312 Q313 L317 K318 N319 T394 E400	V311-Q315 PolarHBondContact O-N 3.01Å; Y312-Q315 WeakPolarHBondContact O-CB 3.3Å; Y312-Q315 PolarHBondContact O-N 3.23Å; Y312-Q315 VanDerWaalsContact O-N 3.14Å; Q313-Q315 VanDerWaalsContact C-N 3.32Å; Q315-L317 VanDerWaalsContact C-N 3.29Å; Q315-L317 PolarHBondContact O-N 3.28Å; Q315-K318 PolarHBondContact O-N 3.22Å; Q315-N319 PolarHBondContact NE2-OD1 3.45Å; Q315-N319 VanDerWaalsContact O-CB 3.24Å; Q315-N319 WeakPolarHBondContact O-CB 3.19Å; Q315-N319 PolarHBondContact O-N 3.26Å; Q315-N319 PolarHBondContact O-ND2 2.75Å; Q315-T394 HydrophobicContact CB-CG2 3.77Å; Q315-T394 HydrophobicContact CG-CG2 3.74Å; Q315-E400 VanDerWaalsContact NE2-CD 3.35Å; Q315-E400 PolarHBondContact NE2-OE2 2.86Å
316	V	98.9	Very high	98.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.7	-45.1	174.8	168.7	0	0	0	0	110.8	L215 Y312 Q313 E314 M320 H342 S390 A391 T394	L215-V316 HydrophobicContact CD2-CG1 4.49Å; Y312-V316 HydrophobicContact CD2-CG2 4.14Å; Y312-V316 HydrophobicContact CE1-CG2 4.24Å; Y312-V316 HydrophobicContact CE2-CG2 3.6Å; Y312-V316 WeakPolarHBondContact O-CG2 3.44Å; Y312-V316 PolarHBondContact O-N 2.94Å; Q313-V316 WeakPolarHBondContact O-CB 3.38Å; Q313-V316 PolarHBondContact O-N 3.03Å; E314-V316 VanDerWaalsContact C-N 3.33Å; E314-V316 PolarHBondContact O-N 3.5Å; V316-M320 WeakPolarHBondContact O-CB 3.29Å; V316-M320 PolarHBondContact O-N 3.33Å; V316-M320 VanDerWaalsContact O-N 3.08Å; V316-H342 HydrophobicContact CG1-CB 3.46Å; V316-H342 VanDerWaalsContact CG1-CB 3.46Å; V316-S390 WeakPolarHBondContact CG1-OG 3.44Å; V316-S390 PolarHBondContact O-OG 2.99Å; V316-A391 HydrophobicContact CG1-CB 4.5Å; V316-T394 HydrophobicContact CG2-CG2 3.74Å
317	L	98.9	Very high	98.8	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.131	23%	0.226	C	C	.	.	H	α-helix	trans	-70.6	-42.3	178.6	-66.1	179.2	0	0	0	112.5	L215 L220 Q313 E314 Q315 M320 K321 T341	L215-L317 HydrophobicContact CD1-CD2 4.02Å; L215-L317 HydrophobicContact CD2-CD1 4.32Å; L215-L317 HydrophobicContact CD2-CD2 3.86Å; L215-L317 HydrophobicContact CD2-CG 3.91Å; L220-L317 HydrophobicContact CB-CD1 3.86Å; L220-L317 HydrophobicContact CD1-CD1 4.26Å; Q313-L317 PolarHBondContact O-N 3.32Å; E314-L317 PolarHBondContact O-N 3.13Å; Q315-L317 VanDerWaalsContact C-N 3.29Å; Q315-L317 PolarHBondContact O-N 3.28Å; L317-M320 PolarHBondContact O-N 3.44Å; L317-K321 WeakPolarHBondContact O-CG 3.38Å; L317-K321 PolarHBondContact O-N 2.77Å; L317-T341 WeakPolarHBondContact CD2-O 3.31Å
318	K	98.9	Very high	98.8	Very high	93 Å²	93	46.7 Å²	46.7	40%	0.404	22%	0.217	S	C	.	.	H	α-helix	trans	-60.1	-47.6	176.7	-71.1	172.1	-173.3	175	0	111.3	E314 Q315 M320 K321 Q322 E400	E314-K318 WeakPolarHBondContact O-CG 3.44Å; E314-K318 PolarHBondContact O-N 3.08Å; Q315-K318 PolarHBondContact O-N 3.22Å; K318-M320 PolarHBondContact O-N 2.9Å; K318-K321 PolarHBondContact O-N 2.98Å; K318-Q322 PolarHBondContact O-N 3.4Å; K318-E400 HydrophobicContact CB-CG 4.11Å; K318-E400 WeakPolarHBondContact CB-OE1 3.37Å; K318-E400 WeakPolarHBondContact CD-OE1 3.44Å
319	N	98.9	Very high	98.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-44.2	176.2	-75.3	-8.3	0	0	0	112.1	Q315 Q322 L323 T394 F398 H399 E400 F403	Q315-N319 PolarHBondContact NE2-OD1 3.45Å; Q315-N319 VanDerWaalsContact O-CB 3.24Å; Q315-N319 WeakPolarHBondContact O-CB 3.19Å; Q315-N319 PolarHBondContact O-N 3.26Å; Q315-N319 PolarHBondContact O-ND2 2.75Å; N319-Q322 PolarHBondContact O-N 2.96Å; N319-L323 PolarHBondContact O-N 3.44Å; N319-T394 PolarHBondContact ND2-OG1 2.89Å; N319-F398 PolarHBondContact ND2-O 3.03Å; N319-H399 WeakPolarHBondContact OD1-CA 3.08Å; N319-E400 PolarHBondContact OD1-N 2.81Å; N319-E400 VanDerWaalsContact OD1-N 3.13Å; N319-F403 HydrophobicContact CB-CD1 4.4Å; N319-F403 HydrophobicContact CB-CD2 3.49Å; N319-F403 VanDerWaalsContact CB-CD2 3.49Å; N319-F403 HydrophobicContact CB-CE1 4.36Å; N319-F403 HydrophobicContact CB-CE2 3.47Å; N319-F403 VanDerWaalsContact CB-CE2 3.47Å; N319-F403 HydrophobicContact CB-CG 3.96Å; N319-F403 HydrophobicContact CB-CZ 3.91Å; N319-F403 VanDerWaalsContact CG-CE2 3.46Å; N319-F403 VanDerWaalsContact ND2-CE2 3.32Å; N319-F403 WeakPolarHBondContact ND2-CE2 3.4Å
320	M	98.9	Very high	98.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-65.3	-40.5	177.6	-174.4	48.8	42.6	0	0	112.6	V316 L317 K318 Q322 L323 C324 T341 H342 L343 C344 S390	V316-M320 WeakPolarHBondContact O-CB 3.29Å; V316-M320 PolarHBondContact O-N 3.33Å; V316-M320 VanDerWaalsContact O-N 3.08Å; L317-M320 PolarHBondContact O-N 3.44Å; K318-M320 PolarHBondContact O-N 2.9Å; M320-Q322 VanDerWaalsContact C-N 3.33Å; M320-Q322 PolarHBondContact O-N 3.49Å; M320-L323 HydrophobicContact CE-CD2 3.87Å; M320-L323 PolarHBondContact O-N 3.02Å; M320-L323 HydrophobicContact SD-CD2 4.3Å; M320-C324 WeakPolarHBondContact O-CB 3.45Å; M320-C324 PolarHBondContact O-N 2.84Å; M320-C324 PolarHBondContact O-SG 3.32Å; M320-T341 VanDerWaalsContact CG-O 3.29Å; M320-T341 WeakPolarHBondContact CG-O 3.38Å; M320-H342 WeakPolarHBondContact CE-O 3.42Å; M320-L343 VanDerWaalsContact SD-C 3.55Å; M320-C344 HydrophobicContact SD-CB 3.81Å; M320-S390 VanDerWaalsContact CE-N 3.29Å
321	K	98.8	Very high	98.7	Very high	132 Å²	132	47.2 Å²	47.2	57%	0.574	25%	0.251	S	S	*	.	H	α-helix	trans	-61.9	-41.7	173.6	-73.8	177.2	-179.3	179.6	0	111.6	L317 K318 C324 K325	L317-K321 WeakPolarHBondContact O-CG 3.38Å; L317-K321 PolarHBondContact O-N 2.77Å; K318-K321 PolarHBondContact O-N 2.98Å; K321-C324 PolarHBondContact O-N 3.24Å; K321-K325 WeakPolarHBondContact O-CB 3.19Å; K321-K325 PolarHBondContact O-N 3.07Å
322	Q	98.9	Very high	98.7	Very high	37 Å²	37	43.5 Å²	43.5	17%	0.173	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-43.1	177.3	-174.7	55.9	56	0	0	111.8	K318 N319 M320 C324 K325 S326 E400 F403 V404	K318-Q322 PolarHBondContact O-N 3.4Å; N319-Q322 PolarHBondContact O-N 2.96Å; M320-Q322 VanDerWaalsContact C-N 3.33Å; M320-Q322 PolarHBondContact O-N 3.49Å; Q322-C324 VanDerWaalsContact C-N 3.34Å; Q322-C324 PolarHBondContact O-N 3.18Å; Q322-K325 PolarHBondContact O-N 3.43Å; Q322-S326 PolarHBondContact NE2-OG 2.93Å; Q322-S326 PolarHBondContact O-N 3.04Å; Q322-S326 PolarHBondContact O-OG 3.04Å; Q322-S326 VanDerWaalsContact O-OG 3.13Å; Q322-E400 HydrophobicContact CB-CB 4.05Å; Q322-E400 HydrophobicContact CB-CG 4.11Å; Q322-E400 HydrophobicContact CG-CB 3.95Å; Q322-E400 VanDerWaalsContact CG-O 3.29Å; Q322-E400 WeakPolarHBondContact CG-O 3.35Å; Q322-F403 HydrophobicContact CG-CB 4.46Å; Q322-V404 HydrophobicContact CG-CG2 3.96Å
323	L	98.9	Very high	98.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.6	-49.1	173.7	-176.1	57.7	0	0	0	111.3	N319 M320 K325 S326 L327 F388 F403 I410	N319-L323 PolarHBondContact O-N 3.44Å; M320-L323 HydrophobicContact CE-CD2 3.87Å; M320-L323 PolarHBondContact O-N 3.02Å; M320-L323 HydrophobicContact SD-CD2 4.3Å; L323-K325 VanDerWaalsContact C-N 3.32Å; L323-K325 PolarHBondContact O-N 2.77Å; L323-S326 PolarHBondContact O-N 3.25Å; L323-L327 HydrophobicContact CD1-CD1 3.9Å; L323-L327 HydrophobicContact CD1-CG 4.06Å; L323-L327 HydrophobicContact CG-CD1 3.84Å; L323-L327 HydrophobicContact CG-CG 4.4Å; L323-L327 WeakPolarHBondContact O-CB 3.34Å; L323-L327 VanDerWaalsContact O-CG 3.31Å; L323-L327 WeakPolarHBondContact O-CG 3.46Å; L323-L327 PolarHBondContact O-N 3.33Å; L323-F388 HydrophobicContact CD2-CB 4.01Å; L323-F403 HydrophobicContact CB-CD1 3.89Å; L323-F403 HydrophobicContact CD1-CD1 4.38Å; L323-F403 HydrophobicContact CD2-CD1 4.28Å; L323-F403 HydrophobicContact CD2-CE1 4.32Å; L323-F403 HydrophobicContact CG-CD1 4.4Å; L323-I410 HydrophobicContact CD1-CD1 3.92Å
324	C	98.8	Very high	98.6	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.054	25%	0.25	C	C	.	.	H	α-helix	trans	-58.9	-44.2	177.7	-69.4	0	0	0	0	111.9	M320 K321 Q322 K328 L334 C344	M320-C324 WeakPolarHBondContact O-CB 3.45Å; M320-C324 PolarHBondContact O-N 2.84Å; M320-C324 PolarHBondContact O-SG 3.32Å; K321-C324 PolarHBondContact O-N 3.24Å; Q322-C324 VanDerWaalsContact C-N 3.34Å; Q322-C324 PolarHBondContact O-N 3.18Å; C324-K328 WeakPolarHBondContact O-CG 3.05Å; C324-K328 PolarHBondContact O-N 3.14Å; C324-K328 VanDerWaalsContact O-N 3.12Å; C324-L334 HydrophobicContact CB-CD1 3.6Å; C324-C344 VanDerWaalsContact SG-CB 3.55Å
325	K	98.7	Very high	98.5	Very high	141 Å²	141	46 Å²	46	61%	0.613	24%	0.241	S	C	*	.	H	α-helix	trans	-61.4	-48	178.2	178.8	-176.7	173.2	-172.1	0	111.3	K321 Q322 L323 K328 A329	K321-K325 WeakPolarHBondContact O-CB 3.19Å; K321-K325 PolarHBondContact O-N 3.07Å; Q322-K325 PolarHBondContact O-N 3.43Å; L323-K325 VanDerWaalsContact C-N 3.32Å; L323-K325 PolarHBondContact O-N 2.77Å; K325-K328 PolarHBondContact O-N 3.02Å; K325-A329 PolarHBondContact O-N 3.27Å; K325-A329 VanDerWaalsContact O-N 3.09Å
326	S	98.7	Very high	98.4	Very high	11 Å²	11	46.1 Å²	46.1	8%	0.077	24%	0.243	C	C	.	.	H	α-helix	trans	-68.7	-42.5	-178.1	-56.4	0	0	0	0	112.3	Q322 L323 K328 A329 Y330 S407	Q322-S326 PolarHBondContact NE2-OG 2.93Å; Q322-S326 PolarHBondContact O-N 3.04Å; Q322-S326 PolarHBondContact O-OG 3.04Å; Q322-S326 VanDerWaalsContact O-OG 3.13Å; L323-S326 PolarHBondContact O-N 3.25Å; S326-K328 VanDerWaalsContact C-N 3.3Å; S326-K328 PolarHBondContact O-N 2.9Å; S326-A329 WeakPolarHBondContact O-CA 3.42Å; S326-A329 WeakPolarHBondContact O-CB 3.41Å; S326-A329 PolarHBondContact O-N 2.84Å; S326-Y330 VanDerWaalsContact O-CD2 3.22Å; S326-Y330 WeakPolarHBondContact O-CD2 3.11Å; S326-Y330 PolarHBondContact O-N 3.11Å; S326-Y330 VanDerWaalsContact O-N 3.16Å; S326-S407 VanDerWaalsContact CB-CB 3.48Å; S326-S407 WeakPolarHBondContact CB-OG 3.1Å
327	L	98.7	Very high	98.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-41.9	175.8	-70.5	171.8	0	0	0	111.5	L323 A329 Y330 G331 Y332 L334 L346 F388 I410	L323-L327 HydrophobicContact CD1-CD1 3.9Å; L323-L327 HydrophobicContact CD1-CG 4.06Å; L323-L327 HydrophobicContact CG-CD1 3.84Å; L323-L327 HydrophobicContact CG-CG 4.4Å; L323-L327 WeakPolarHBondContact O-CB 3.34Å; L323-L327 VanDerWaalsContact O-CG 3.31Å; L323-L327 WeakPolarHBondContact O-CG 3.46Å; L323-L327 PolarHBondContact O-N 3.33Å; L327-A329 VanDerWaalsContact C-N 3.3Å; L327-A329 PolarHBondContact O-N 2.62Å; L327-Y330 PolarHBondContact O-N 2.88Å; L327-Y330 VanDerWaalsContact O-N 3.16Å; L327-G331 PolarHBondContact O-N 2.67Å; L327-Y332 HydrophobicContact CB-CD2 4.24Å; L327-Y332 HydrophobicContact CD2-CD2 3.95Å; L327-Y332 HydrophobicContact CD2-CE2 4.3Å; L327-Y332 WeakPolarHBondContact O-CB 3.24Å; L327-Y332 VanDerWaalsContact O-CD2 3.25Å; L327-Y332 WeakPolarHBondContact O-CD2 3.16Å; L327-Y332 PolarHBondContact O-N 3.41Å; L327-Y332 VanDerWaalsContact O-N 3.14Å; L327-L334 HydrophobicContact CD1-CD2 4.42Å; L327-L346 HydrophobicContact CD1-CD1 4.01Å; L327-L346 HydrophobicContact CD2-CD1 4.13Å; L327-L346 HydrophobicContact CG-CD1 4.45Å; L327-F388 HydrophobicContact CD1-CD2 4.39Å; L327-I410 HydrophobicContact CD2-CB 4.41Å; L327-I410 HydrophobicContact CD2-CG2 3.94Å
328	K	98.4	Very high	98.3	Very high	104 Å²	104	46.9 Å²	46.9	45%	0.452	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-36.3	172.9	-76.1	179.3	169.7	-163.8	0	113.3	C324 K325 S326 Y330 G331 L334 G337	C324-K328 WeakPolarHBondContact O-CG 3.05Å; C324-K328 PolarHBondContact O-N 3.14Å; C324-K328 VanDerWaalsContact O-N 3.12Å; K325-K328 PolarHBondContact O-N 3.02Å; S326-K328 VanDerWaalsContact C-N 3.3Å; S326-K328 PolarHBondContact O-N 2.9Å; K328-Y330 PolarHBondContact O-N 2.68Å; K328-G331 WeakPolarHBondContact O-CA 3.43Å; K328-G331 PolarHBondContact O-N 2.95Å; K328-L334 HydrophobicContact CG-CD1 4.17Å; K328-L334 HydrophobicContact CG-CG 4.46Å; K328-G337 WeakPolarHBondContact CE-O 3.5Å; K328-G337 PolarHBondContact NZ-O 2.91Å
329	A	98.5	Very high	98.2	Very high	90 Å²	90	43 Å²	43	74%	0.744	24%	0.241	S	C	*	.	H	α-helix	trans	-64.7	-28.4	176.8	0	0	0	0	0	112.4	K325 S326 L327 G331	K325-A329 PolarHBondContact O-N 3.27Å; K325-A329 VanDerWaalsContact O-N 3.09Å; S326-A329 WeakPolarHBondContact O-CA 3.42Å; S326-A329 WeakPolarHBondContact O-CB 3.41Å; S326-A329 PolarHBondContact O-N 2.84Å; L327-A329 VanDerWaalsContact C-N 3.3Å; L327-A329 PolarHBondContact O-N 2.62Å; A329-G331 PolarHBondContact O-N 2.8Å
330	Y	98.3	Very high	98.2	Very high	88 Å²	88	45.8 Å²	45.8	35%	0.345	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	2	169.3	-70.9	-68.3	0	0	0	114.1	S326 L327 K328 Y332 E408 H411	S326-Y330 VanDerWaalsContact O-CD2 3.22Å; S326-Y330 WeakPolarHBondContact O-CD2 3.11Å; S326-Y330 PolarHBondContact O-N 3.11Å; S326-Y330 VanDerWaalsContact O-N 3.16Å; L327-Y330 PolarHBondContact O-N 2.88Å; L327-Y330 VanDerWaalsContact O-N 3.16Å; K328-Y330 PolarHBondContact O-N 2.68Å; Y330-Y332 HydrophobicContact CG-CE2 4.42Å; Y330-E408 WeakPolarHBondContact OH-CB 3.39Å; Y330-H411 HydrophobicContact CD1-CB 4.09Å; Y330-H411 AromaticContact CD1-CD2 3.56Å; Y330-H411 AromaticContact CD1-CE1 3.86Å; Y330-H411 AromaticContact CD1-CG 3.51Å; Y330-H411 AromaticContact CD1-ND1 3.72Å; Y330-H411 AromaticContact CD1-NE2 3.79Å; Y330-H411 HydrophobicContact CD2-CB 4.01Å; Y330-H411 HydrophobicContact CE1-CB 4.22Å; Y330-H411 AromaticContact CE1-CD2 3.57Å; Y330-H411 AromaticContact CE1-CG 3.83Å; Y330-H411 HydrophobicContact CE2-CB 4.15Å; Y330-H411 HydrophobicContact CG-CB 3.98Å; Y330-H411 AromaticContact CG-CG 3.78Å; Y330-H411 AromaticContact CG-ND1 3.88Å
331	G	97.7	Very high	98.2	Very high	64 Å²	64	45.9 Å²	45.9	66%	0.66	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	12	178.3	0	0	0	0	0	115.2	L327 K328 A329	L327-G331 PolarHBondContact O-N 2.67Å; K328-G331 WeakPolarHBondContact O-CA 3.43Å; K328-G331 PolarHBondContact O-N 2.95Å; A329-G331 PolarHBondContact O-N 2.8Å
332	Y	98.3	Very high	98.2	Very high	13 Å²	13	39.7 Å²	39.7	5%	0.051	23%	0.23	C	C	.	.			trans	-76.2	143.4	176.3	-64.8	-73.5	0	0	0	112.4	L327 Y330 L346 L351 H411 I414 Q415	L327-Y332 HydrophobicContact CB-CD2 4.24Å; L327-Y332 HydrophobicContact CD2-CD2 3.95Å; L327-Y332 HydrophobicContact CD2-CE2 4.3Å; L327-Y332 WeakPolarHBondContact O-CB 3.24Å; L327-Y332 VanDerWaalsContact O-CD2 3.25Å; L327-Y332 WeakPolarHBondContact O-CD2 3.16Å; L327-Y332 PolarHBondContact O-N 3.41Å; L327-Y332 VanDerWaalsContact O-N 3.14Å; Y330-Y332 HydrophobicContact CG-CE2 4.42Å; Y332-L346 HydrophobicContact CD1-CD1 3.83Å; Y332-L346 HydrophobicContact CD1-CD2 4.07Å; Y332-L346 HydrophobicContact CD1-CG 4.31Å; Y332-L346 HydrophobicContact CD2-CD1 4.22Å; Y332-L346 HydrophobicContact CG-CD1 3.64Å; Y332-L346 HydrophobicContact CG-CG 4.4Å; Y332-L351 HydrophobicContact CD1-CD1 3.81Å; Y332-L351 HydrophobicContact CE1-CD1 3.38Å; Y332-H411 HydrophobicContact CE2-CB 4.14Å; Y332-H411 AromaticContact CE2-ND1 3.62Å; Y332-H411 AromaticContact CZ-ND1 3.69Å; Y332-H411 WeakPolarHBondContact OH-CA 3.35Å; Y332-H411 PolarHBondContact OH-ND1 3.43Å; Y332-I414 HydrophobicContact CE1-CB 4.4Å; Y332-I414 HydrophobicContact CE1-CD1 3.71Å; Y332-I414 HydrophobicContact CE1-CG2 3.88Å; Y332-I414 WeakPolarHBondContact OH-CB 3.43Å; Y332-Q415 PolarHBondContact OH-NE2 2.81Å
333	E	96.7	Very high	98.2	Very high	112 Å²	112	38 Å²	38	52%	0.523	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.1	172.1	-171	169.4	176.8	0	0	110.4	D347 P350	E333-D347 HydrophobicContact CB-CB 4.45Å; E333-D347 PolarHBondContact O-N 2.74Å; E333-P350 HydrophobicContact CB-CG 4.44Å
334	L	98	Very high	98.2	Very high	7 Å²	7	38 Å²	38	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.3	175	-59.9	178.3	0	0	0	108.6	C324 L327 K328 T336 G337 L345 L346	C324-L334 HydrophobicContact CB-CD1 3.6Å; L327-L334 HydrophobicContact CD1-CD2 4.42Å; K328-L334 HydrophobicContact CG-CD1 4.17Å; K328-L334 HydrophobicContact CG-CG 4.46Å; L334-T336 PolarHBondContact O-N 3.04Å; L334-G337 VanDerWaalsContact O-CA 3.28Å; L334-G337 WeakPolarHBondContact O-CA 3.43Å; L334-G337 PolarHBondContact O-N 2.91Å; L334-L345 CarbonylContact C-O 3.59Å; L334-L345 WeakPolarHBondContact CA-O 3.31Å; L334-L346 HydrophobicContact CD2-CB 3.94Å; L334-L346 HydrophobicContact CD2-CD1 4.38Å; L334-L346 HydrophobicContact CD2-CG 4.28Å
335	V	97	Very high	98.2	Very high	20 Å²	20	38 Å²	38	12%	0.121	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.5	134.5	174.1	-179.2	0	0	0	0	109	G337 L345 D347 C374 P375	V335-G337 PolarHBondContact O-N 2.87Å; V335-G337 VanDerWaalsContact O-N 3.14Å; V335-L345 HydrophobicContact CB-CB 4.1Å; V335-L345 HydrophobicContact CB-CD2 3.99Å; V335-L345 HydrophobicContact CB-CG 4.12Å; V335-L345 HydrophobicContact CG1-CD2 4.28Å; V335-L345 HydrophobicContact CG2-CB 4.17Å; V335-L345 HydrophobicContact CG2-CD2 3.66Å; V335-L345 HydrophobicContact CG2-CG 3.67Å; V335-L345 PolarHBondContact N-O 3.31Å; V335-D347 HydrophobicContact CG2-CB 4.49Å; V335-C374 HydrophobicContact CG2-CB 4.21Å; V335-P375 HydrophobicContact CG1-CG 3.66Å
336	T	97.6	Very high	98.1	Very high	23 Å²	23	31.3 Å²	31.3	14%	0.141	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	61.2	4.8	-168.5	74.7	0	0	0	0	115.5	G159 R187 L334 G338	G159-T336 WeakPolarHBondContact O-CG2 3.45Å; R187-T336 HydrophobicContact CG-CG2 3.99Å; R187-T336 PolarHBondContact NE-OG1 2.71Å; R187-T336 PolarHBondContact NH2-O 2.8Å; L334-T336 PolarHBondContact O-N 3.04Å; T336-G338 PolarHBondContact OG1-O 3.14Å
337	G	96.8	Very high	98.1	Very high	34 Å²	34	31.3 Å²	31.3	35%	0.351	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	75.7	17.5	177.7	0	0	0	0	0	115.4	K328 L334 V335	K328-G337 WeakPolarHBondContact CE-O 3.5Å; K328-G337 PolarHBondContact NZ-O 2.91Å; L334-G337 VanDerWaalsContact O-CA 3.28Å; L334-G337 WeakPolarHBondContact O-CA 3.43Å; L334-G337 PolarHBondContact O-N 2.91Å; V335-G337 PolarHBondContact O-N 2.87Å; V335-G337 VanDerWaalsContact O-N 3.14Å
338	G	97.7	Very high	98	Very high	7 Å²	7	31.3 Å²	31.3	7%	0.072	19%	0.192	C	C	.	.	S	Bend	trans	155.2	-154.9	178.8	0	0	0	0	0	112.9	A186 T336	A186-G338 WeakPolarHBondContact CB-O 3.02Å; T336-G338 PolarHBondContact OG1-O 3.14Å
339	S	98.7	Very high	97.8	Very high	11 Å²	11	30.9 Å²	30.9	8%	0.077	19%	0.187	C	C	.	.			trans	-148.1	143.3	179.5	-174.5	0	0	0	0	112.5	A186 T341 L343	A186-S339 CarbonylContact O-C 3.55Å; A186-S339 WeakPolarHBondContact O-CA 3.3Å; A186-S339 PolarHBondContact O-OG 2.78Å; S339-T341 PolarHBondContact OG-N 2.89Å; S339-T341 PolarHBondContact OG-O 2.8Å; S339-T341 PolarHBondContact OG-OG1 2.87Å; S339-L343 WeakPolarHBondContact CB-O 3.43Å; S339-L343 PolarHBondContact OG-O 2.8Å
340	D	98.4	Very high	97.6	Very high	58 Å²	58	30.2 Å²	30.2	31%	0.31	18%	0.175	S	C	.	.	S	Bend	trans	-106.1	2.8	167.2	-55	-46.6	0	0	0	111.7	A186 R187 H188	A186-D340 PolarHBondContact O-N 3.36Å; R187-D340 WeakPolarHBondContact CD-OD2 3.47Å; R187-D340 IonicContact CZ-OD2 2.96Å; R187-D340 IonicContact NE-OD2 2.69Å; R187-D340 IonicContact NH1-OD1 3.14Å; R187-D340 PolarHBondContact NH1-OD1 3.02Å; R187-D340 VanDerWaalsContact NH1-OD1 3.09Å; R187-D340 IonicContact NH1-OD2 3.75Å; R187-D340 PolarHBondContact NH1-OD2 2.98Å; H188-D340 PolarHBondContact NE2-O 3.31Å
341	T	98.5	Very high	97.4	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.025	18%	0.175	C	C	.	.	S	Bend	trans	-127.2	-161.7	-172.8	72.1	0	0	0	0	111.5	L317 M320 S339 L343	L317-T341 WeakPolarHBondContact CD2-O 3.31Å; M320-T341 VanDerWaalsContact CG-O 3.29Å; M320-T341 WeakPolarHBondContact CG-O 3.38Å; S339-T341 PolarHBondContact OG-N 2.89Å; S339-T341 PolarHBondContact OG-O 2.8Å; S339-T341 PolarHBondContact OG-OG1 2.87Å; T341-L343 VanDerWaalsContact C-N 3.33Å; T341-L343 PolarHBondContact OG1-N 2.89Å
342	H	98.8	Very high	97.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.182	C	C	.	.	S	Bend	trans	-85.8	2.8	178.6	69.7	-65.9	0	0	0	113.8	A31 H211 L215 T238 V316 M320 G389 S390	A31-H342 PolarHBondContact O-CD2 2.82Å; A31-H342 PolarHBondContact O-NE2 3.38Å; H211-H342 AromaticContact ND1-CE1 3.51Å; H211-H342 AromaticContact ND1-NE2 3.12Å; H211-H342 PolarHBondContact ND1-NE2 3.34Å; H211-H342 VanDerWaalsContact ND1-NE2 3.12Å; H211-H342 PolarHBondContact O-CE1 2.98Å; H211-H342 PolarHBondContact O-ND1 2.98Å; H211-H342 PolarHBondContact O-NE2 2.85Å; L215-H342 HydrophobicContact CD1-CB 4.29Å; T238-H342 HydrophobicContact CG2-CB 4.17Å; V316-H342 HydrophobicContact CG1-CB 3.46Å; V316-H342 VanDerWaalsContact CG1-CB 3.46Å; M320-H342 WeakPolarHBondContact CE-O 3.42Å; H342-G389 CarbonylContact O-C 3.54Å; H342-G389 WeakPolarHBondContact O-CA 3.5Å; H342-S390 PolarHBondContact O-N 2.81Å; H342-S390 PolarHBondContact O-OG 2.87Å
343	L	98.8	Very high	97	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156	-176.5	71.3	82	0	0	0	112.8	A31 A186 M320 S339 T341 F388	A31-L343 HydrophobicContact CB-CB 3.76Å; A31-L343 HydrophobicContact CB-CD2 4.2Å; A186-L343 HydrophobicContact CB-CD1 4.12Å; M320-L343 VanDerWaalsContact SD-C 3.55Å; S339-L343 WeakPolarHBondContact CB-O 3.43Å; S339-L343 PolarHBondContact OG-O 2.8Å; T341-L343 VanDerWaalsContact C-N 3.33Å; T341-L343 PolarHBondContact OG1-N 2.89Å; L343-F388 CarbonylContact C-O 3.6Å; L343-F388 WeakPolarHBondContact CA-O 3Å; L343-F388 WeakPolarHBondContact CB-O 3.33Å
344	C	98.5	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.2	167.6	68.8	0	0	0	0	110.8	M320 C324 R387 F388	M320-C344 HydrophobicContact SD-CB 3.81Å; C324-C344 VanDerWaalsContact SG-CB 3.55Å; C344-R387 WeakPolarHBondContact O-CA 3.28Å; C344-F388 PolarHBondContact N-O 2.97Å; C344-F388 PolarHBondContact O-N 3.12Å
345	L	98.3	Very high	96.8	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.7	177.6	179.5	62.1	0	0	0	108.6	L334 V335 N372 R387	L334-L345 CarbonylContact C-O 3.59Å; L334-L345 WeakPolarHBondContact CA-O 3.31Å; V335-L345 HydrophobicContact CB-CB 4.1Å; V335-L345 HydrophobicContact CB-CD2 3.99Å; V335-L345 HydrophobicContact CB-CG 4.12Å; V335-L345 HydrophobicContact CG1-CD2 4.28Å; V335-L345 HydrophobicContact CG2-CB 4.17Å; V335-L345 HydrophobicContact CG2-CD2 3.66Å; V335-L345 HydrophobicContact CG2-CG 3.67Å; V335-L345 PolarHBondContact N-O 3.31Å; L345-N372 HydrophobicContact CD1-CB 3.71Å; L345-R387 HydrophobicContact CD1-CB 4.38Å
346	L	98.2	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.3	-179.7	-177.1	150.2	0	0	0	109.5	L327 Y332 L334 L348 G385 L386 F388	L327-L346 HydrophobicContact CD1-CD1 4.01Å; L327-L346 HydrophobicContact CD2-CD1 4.13Å; L327-L346 HydrophobicContact CG-CD1 4.45Å; Y332-L346 HydrophobicContact CD1-CD1 3.83Å; Y332-L346 HydrophobicContact CD1-CD2 4.07Å; Y332-L346 HydrophobicContact CD1-CG 4.31Å; Y332-L346 HydrophobicContact CD2-CD1 4.22Å; Y332-L346 HydrophobicContact CG-CD1 3.64Å; Y332-L346 HydrophobicContact CG-CG 4.4Å; L334-L346 HydrophobicContact CD2-CB 3.94Å; L334-L346 HydrophobicContact CD2-CD1 4.38Å; L334-L346 HydrophobicContact CD2-CG 4.28Å; L346-L348 HydrophobicContact CD2-CD2 3.25Å; L346-L348 HydrophobicContact CD2-CG 3.56Å; L346-G385 CarbonylContact O-C 3.59Å; L346-G385 WeakPolarHBondContact O-CA 3.27Å; L346-L386 PolarHBondContact N-O 3.38Å; L346-L386 PolarHBondContact O-N 3.32Å; L346-F388 HydrophobicContact CB-CE2 4.19Å; L346-F388 HydrophobicContact CD1-CE2 4.25Å
347	D	97	Very high	96.7	Very high	11 Å²	11	29.8 Å²	29.8	6%	0.059	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.9	176.6	-172.5	-6.2	0	0	0	110.1	E333 V335 R349	E333-D347 HydrophobicContact CB-CB 4.45Å; E333-D347 PolarHBondContact O-N 2.74Å; V335-D347 HydrophobicContact CG2-CB 4.49Å; D347-R349 VanDerWaalsContact CG-NE 3.31Å; D347-R349 VanDerWaalsContact OD1-CB 3.23Å; D347-R349 WeakPolarHBondContact OD1-CB 3.27Å; D347-R349 WeakPolarHBondContact OD1-CG 3.34Å; D347-R349 IonicContact OD1-CZ 2.87Å; D347-R349 PolarHBondContact OD1-N 2.96Å; D347-R349 IonicContact OD1-NE 3.77Å; D347-R349 PolarHBondContact OD1-NE 3.03Å; D347-R349 IonicContact OD1-NH2 3.82Å; D347-R349 IonicContact OD2-CZ 2.86Å; D347-R349 IonicContact OD2-NE 3.21Å; D347-R349 PolarHBondContact OD2-NE 3.04Å; D347-R349 IonicContact OD2-NH2 2.87Å; D347-R349 PolarHBondContact OD2-NH2 2.71Å
348	L	97.1	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.			trans	-94.1	-7.5	-179.6	-66.4	168.7	0	0	0	113	L346 P350 L351 K352 I353 A358 G384 L386 I414	L346-L348 HydrophobicContact CD2-CD2 3.25Å; L346-L348 HydrophobicContact CD2-CG 3.56Å; L348-P350 VanDerWaalsContact C-CD 3.43Å; L348-P350 VanDerWaalsContact C-N 3.33Å; L348-L351 HydrophobicContact CD2-CD1 4.27Å; L348-L351 WeakPolarHBondContact O-CA 3.42Å; L348-L351 WeakPolarHBondContact O-CB 3.49Å; L348-L351 PolarHBondContact O-N 3.32Å; L348-K352 PolarHBondContact O-N 3.41Å; L348-I353 CarbonylContact C-O 3.59Å; L348-I353 HydrophobicContact CB-CG2 3.99Å; L348-I353 WeakPolarHBondContact CB-O 3.36Å; L348-I353 HydrophobicContact CD1-CG2 4.43Å; L348-I353 HydrophobicContact CD2-CG2 4.26Å; L348-I353 HydrophobicContact CG-CG2 4.48Å; L348-A358 HydrophobicContact CD1-CB 3.54Å; L348-G384 WeakPolarHBondContact CA-O 3.45Å; L348-G384 VanDerWaalsContact CB-O 3.31Å; L348-G384 WeakPolarHBondContact CB-O 3.49Å; L348-G384 PolarHBondContact N-O 2.91Å; L348-L386 HydrophobicContact CD1-CD1 3.84Å; L348-L386 HydrophobicContact CD1-CG 3.84Å; L348-I414 HydrophobicContact CD2-CD1 4.15Å; L348-I414 HydrophobicContact CD2-CG2 4.16Å
349	R	93.9	Very high	96.8	Very high	95 Å²	95	29.7 Å²	29.7	36%	0.358	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-56.8	-38.4	-178.5	-62.6	173.4	-65.7	-169.2	10.6	113.1	D347 L351 K352 P375 D377	D347-R349 VanDerWaalsContact CG-NE 3.31Å; D347-R349 VanDerWaalsContact OD1-CB 3.23Å; D347-R349 WeakPolarHBondContact OD1-CB 3.27Å; D347-R349 WeakPolarHBondContact OD1-CG 3.34Å; D347-R349 IonicContact OD1-CZ 2.87Å; D347-R349 PolarHBondContact OD1-N 2.96Å; D347-R349 IonicContact OD1-NE 3.77Å; D347-R349 PolarHBondContact OD1-NE 3.03Å; D347-R349 IonicContact OD1-NH2 3.82Å; D347-R349 IonicContact OD2-CZ 2.86Å; D347-R349 IonicContact OD2-NE 3.21Å; D347-R349 PolarHBondContact OD2-NE 3.04Å; D347-R349 IonicContact OD2-NH2 2.87Å; D347-R349 PolarHBondContact OD2-NH2 2.71Å; R349-L351 PolarHBondContact O-N 3.46Å; R349-K352 PolarHBondContact O-N 3.02Å; R349-P375 PolarHBondContact NH1-O 3.43Å; R349-P375 PolarHBondContact NH2-O 2.92Å; R349-D377 IonicContact CZ-OD1 3.76Å; R349-D377 IonicContact NE-OD1 3.7Å; R349-D377 IonicContact NH1-OD1 3.09Å; R349-D377 PolarHBondContact NH1-OD1 2.84Å
350	P	94.9	Very high	96.7	Very high	76 Å²	76	32 Å²	32	49%	0.494	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-58.2	-27.1	173.6	-26.5	36.6	0	0	0	114	E333 L348	E333-P350 HydrophobicContact CB-CG 4.44Å; L348-P350 VanDerWaalsContact C-CD 3.43Å; L348-P350 VanDerWaalsContact C-N 3.33Å
351	L	94.9	Very high	96.8	Very high	66 Å²	66	29.2 Å²	29.2	35%	0.346	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-90.8	3.3	177.8	-59.3	178.8	0	0	0	113.4	Y332 L348 R349 I353 I414	Y332-L351 HydrophobicContact CD1-CD1 3.81Å; Y332-L351 HydrophobicContact CE1-CD1 3.38Å; L348-L351 HydrophobicContact CD2-CD1 4.27Å; L348-L351 WeakPolarHBondContact O-CA 3.42Å; L348-L351 WeakPolarHBondContact O-CB 3.49Å; L348-L351 PolarHBondContact O-N 3.32Å; R349-L351 PolarHBondContact O-N 3.46Å; L351-I353 HydrophobicContact CB-CG2 4.15Å; L351-I353 PolarHBondContact O-N 3.21Å; L351-I353 VanDerWaalsContact O-N 3.16Å; L351-I414 HydrophobicContact CD1-CG2 4.04Å
352	K	93.3	Very high	96.8	Very high	183 Å²	183	29 Å²	29	80%	0.796	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	29.6	179.6	-54.3	178.1	-176.9	173.5	0	113.8	L348 R349	L348-K352 PolarHBondContact O-N 3.41Å; R349-K352 PolarHBondContact O-N 3.02Å
353	I	94.3	Very high	96.7	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.036	17%	0.166	C	C	.	.			trans	-124.2	153.4	171.4	-164.8	168.4	0	0	0	109.2	L348 L351 R357 A417 V418 N421	L348-I353 CarbonylContact C-O 3.59Å; L348-I353 HydrophobicContact CB-CG2 3.99Å; L348-I353 WeakPolarHBondContact CB-O 3.36Å; L348-I353 HydrophobicContact CD1-CG2 4.43Å; L348-I353 HydrophobicContact CD2-CG2 4.26Å; L348-I353 HydrophobicContact CG-CG2 4.48Å; L351-I353 HydrophobicContact CB-CG2 4.15Å; L351-I353 PolarHBondContact O-N 3.21Å; L351-I353 VanDerWaalsContact O-N 3.16Å; I353-R357 HydrophobicContact CD1-CB 3.77Å; I353-R357 HydrophobicContact CG1-CB 3.67Å; I353-R357 HydrophobicContact CG1-CG 4.43Å; I353-A417 VanDerWaalsContact CD1-C 3.42Å; I353-A417 HydrophobicContact CD1-CB 3.57Å; I353-A417 WeakPolarHBondContact CD1-O 3.47Å; I353-V418 HydrophobicContact CD1-CG2 4.43Å; I353-V418 HydrophobicContact CG2-CG2 4.24Å; I353-N421 HydrophobicContact CD1-CB 4.21Å
354	D	94.5	Very high	96.7	Very high	29 Å²	29	37.5 Å²	37.5	16%	0.155	18%	0.182	C	C	.	.			trans	-100.3	165.2	176.3	61.6	23.7	0	0	0	112	A356 R357 A358	D354-A356 PolarHBondContact O-N 2.91Å; D354-A356 PolarHBondContact OD1-N 3.13Å; D354-R357 VanDerWaalsContact CG-NH1 3.33Å; D354-R357 PolarHBondContact O-N 3.12Å; D354-R357 WeakPolarHBondContact OD1-CB 3.24Å; D354-R357 VanDerWaalsContact OD1-CG 3.27Å; D354-R357 WeakPolarHBondContact OD1-CG 3.44Å; D354-R357 PolarHBondContact OD1-N 3.48Å; D354-R357 IonicContact OD1-NH1 3.6Å; D354-R357 PolarHBondContact OD1-NH1 3.21Å; D354-R357 IonicContact OD2-NH1 2.98Å; D354-R357 PolarHBondContact OD2-NH1 2.71Å; D354-A358 PolarHBondContact O-N 3.08Å
355	G	96.4	Very high	96.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-30.1	179.1	0	0	0	0	0	112.9	E359 P383 G385	G355-E359 WeakPolarHBondContact O-CB 3.48Å; G355-E359 PolarHBondContact O-N 2.75Å; G355-P383 PolarHBondContact N-O 3.23Å; G355-G385 WeakPolarHBondContact CA-O 3.31Å
356	A	95.8	Very high	96.7	Very high	20 Å²	20	41.3 Å²	41.3	17%	0.165	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-45.7	179.2	0	0	0	0	0	112.4	D354 K360 K371 L429	D354-A356 PolarHBondContact O-N 2.91Å; D354-A356 PolarHBondContact OD1-N 3.13Å; A356-K360 PolarHBondContact O-N 2.88Å; A356-K371 HydrophobicContact CB-CD 3.99Å; A356-L429 HydrophobicContact CB-CD2 4.38Å
357	R	96.7	Very high	96.8	Very high	14 Å²	14	41.3 Å²	41.3	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-44.4	176.9	-72.7	178.3	174.8	74.8	-4.1	112.1	I353 D354 K360 V361 N421 K427 L428 L429 Y432	I353-R357 HydrophobicContact CD1-CB 3.77Å; I353-R357 HydrophobicContact CG1-CB 3.67Å; I353-R357 HydrophobicContact CG1-CG 4.43Å; D354-R357 VanDerWaalsContact CG-NH1 3.33Å; D354-R357 PolarHBondContact O-N 3.12Å; D354-R357 WeakPolarHBondContact OD1-CB 3.24Å; D354-R357 VanDerWaalsContact OD1-CG 3.27Å; D354-R357 WeakPolarHBondContact OD1-CG 3.44Å; D354-R357 PolarHBondContact OD1-N 3.48Å; D354-R357 IonicContact OD1-NH1 3.6Å; D354-R357 PolarHBondContact OD1-NH1 3.21Å; D354-R357 IonicContact OD2-NH1 2.98Å; D354-R357 PolarHBondContact OD2-NH1 2.71Å; R357-K360 PolarHBondContact O-N 2.88Å; R357-V361 PolarHBondContact O-N 3.24Å; R357-N421 WeakPolarHBondContact CD-OD1 3.44Å; R357-N421 PolarHBondContact NE-OD1 3.5Å; R357-K427 VanDerWaalsContact NH2-C 3.31Å; R357-K427 PolarHBondContact NH2-O 3.29Å; R357-L428 PolarHBondContact NH2-O 3.32Å; R357-L429 HydrophobicContact CG-CD1 3.61Å; R357-Y432 HydrophobicContact CB-CD1 4.16Å; R357-Y432 HydrophobicContact CB-CD2 4.45Å; R357-Y432 HydrophobicContact CB-CE1 3.7Å; R357-Y432 HydrophobicContact CB-CE2 4.01Å; R357-Y432 HydrophobicContact CB-CG 4.49Å; R357-Y432 HydrophobicContact CG-CD1 3.66Å; R357-Y432 HydrophobicContact CG-CD2 4.02Å; R357-Y432 HydrophobicContact CG-CE1 3.74Å; R357-Y432 HydrophobicContact CG-CE2 4.09Å; R357-Y432 HydrophobicContact CG-CG 3.77Å; R357-Y432 PolarHBondContact O-OH 3.03Å
358	A	97.9	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-43.7	-179.8	0	0	0	0	0	112.2	L348 D354 K360 V361 L362 L386	L348-A358 HydrophobicContact CD1-CB 3.54Å; D354-A358 PolarHBondContact O-N 3.08Å; A358-K360 VanDerWaalsContact C-N 3.28Å; A358-K360 PolarHBondContact O-N 3.29Å; A358-V361 PolarHBondContact O-N 3.06Å; A358-L362 WeakPolarHBondContact O-CG 3.38Å; A358-L362 PolarHBondContact O-N 3.33Å; A358-L386 HydrophobicContact CB-CD1 3.81Å; A358-L386 HydrophobicContact CB-CG 4.45Å
359	E	98	Very high	96.9	Very high	38 Å²	38	42.2 Å²	42.2	18%	0.178	21%	0.205	C	C	.	.	H	α-helix	trans	-56.3	-42.4	175.1	-177.9	-169.1	126.8	0	0	111.5	G355 V361 L362 E363 K371 L386	G355-E359 WeakPolarHBondContact O-CB 3.48Å; G355-E359 PolarHBondContact O-N 2.75Å; E359-V361 VanDerWaalsContact C-N 3.32Å; E359-V361 PolarHBondContact O-N 3.02Å; E359-L362 WeakPolarHBondContact O-CB 3.37Å; E359-L362 PolarHBondContact O-N 3.15Å; E359-E363 WeakPolarHBondContact O-CB 3.46Å; E359-E363 PolarHBondContact O-N 3.44Å; E359-K371 IonicContact OE1-NZ 2.89Å; E359-K371 PolarHBondContact OE1-NZ 3.45Å; E359-K371 WeakPolarHBondContact OE2-CB 3.31Å; E359-K371 WeakPolarHBondContact OE2-CD 3.17Å; E359-K371 WeakPolarHBondContact OE2-CG 3.37Å; E359-K371 PolarHBondContact OE2-N 3.27Å; E359-K371 IonicContact OE2-NZ 2.98Å; E359-K371 PolarHBondContact OE2-NZ 2.91Å; E359-L386 HydrophobicContact CB-CD2 4.08Å
360	K	97.6	Very high	97	Very high	59 Å²	59	39.1 Å²	39.1	26%	0.257	20%	0.196	S	C	.	.	H	α-helix	trans	-58.9	-42.7	-179.8	-174.8	64.1	174.7	-177.2	0	112.6	A356 R357 A358 L364 Y432	A356-K360 PolarHBondContact O-N 2.88Å; R357-K360 PolarHBondContact O-N 2.88Å; A358-K360 VanDerWaalsContact C-N 3.28Å; A358-K360 PolarHBondContact O-N 3.29Å; K360-L364 VanDerWaalsContact O-CG 3.31Å; K360-L364 WeakPolarHBondContact O-CG 3.4Å; K360-L364 PolarHBondContact O-N 3.29Å; K360-Y432 HydrophobicContact CB-CE1 4.41Å
361	V	98.6	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72.4	-40.9	177.8	171.6	0	0	0	0	110.9	R357 A358 E359 E363 L364 V365 A413 I416 A417 Y432 V436 I446	R357-V361 PolarHBondContact O-N 3.24Å; A358-V361 PolarHBondContact O-N 3.06Å; E359-V361 VanDerWaalsContact C-N 3.32Å; E359-V361 PolarHBondContact O-N 3.02Å; V361-E363 VanDerWaalsContact C-N 3.3Å; V361-E363 PolarHBondContact O-N 3.07Å; V361-L364 PolarHBondContact O-N 3.48Å; V361-V365 WeakPolarHBondContact O-CG2 3.28Å; V361-V365 PolarHBondContact O-N 3.1Å; V361-V365 VanDerWaalsContact O-N 3.12Å; V361-A413 HydrophobicContact CG1-CB 4.28Å; V361-A413 WeakPolarHBondContact CG1-O 3.25Å; V361-I416 HydrophobicContact CG1-CB 4.02Å; V361-I416 HydrophobicContact CG1-CG2 3.82Å; V361-I416 HydrophobicContact CG2-CG2 4.42Å; V361-A417 HydrophobicContact CB-CB 4.12Å; V361-A417 HydrophobicContact CG2-CB 3.93Å; V361-Y432 WeakPolarHBondContact CG2-OH 3.21Å; V361-V436 HydrophobicContact CG2-CG2 4.37Å; V361-I446 HydrophobicContact CG1-CG1 4.45Å
362	L	98.7	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-55.2	-46.4	174.3	-71.5	167.8	0	0	0	111.2	A358 E359 L364 V365 R366 I367 A369 L386 F388 A413	A358-L362 WeakPolarHBondContact O-CG 3.38Å; A358-L362 PolarHBondContact O-N 3.33Å; E359-L362 WeakPolarHBondContact O-CB 3.37Å; E359-L362 PolarHBondContact O-N 3.15Å; L362-L364 PolarHBondContact O-N 3.08Å; L362-V365 CarbonylContact O-C 3.58Å; L362-V365 WeakPolarHBondContact O-CG2 3.32Å; L362-V365 PolarHBondContact O-N 3.13Å; L362-R366 PolarHBondContact O-N 2.97Å; L362-I367 CarbonylContact C-O 3.49Å; L362-I367 HydrophobicContact CB-CB 4.08Å; L362-I367 HydrophobicContact CB-CG2 4.38Å; L362-I367 WeakPolarHBondContact CB-O 3.36Å; L362-I367 HydrophobicContact CD2-CB 3.89Å; L362-I367 HydrophobicContact CD2-CD1 3.75Å; L362-I367 HydrophobicContact CD2-CG1 4.4Å; L362-I367 HydrophobicContact CD2-CG2 3.87Å; L362-I367 WeakPolarHBondContact O-CA 3.49Å; L362-I367 PolarHBondContact O-N 3.07Å; L362-I367 VanDerWaalsContact O-O 3.11Å; L362-A369 HydrophobicContact CD1-CB 4.38Å; L362-L386 HydrophobicContact CD1-CD1 3.52Å; L362-L386 HydrophobicContact CD1-CD2 4.13Å; L362-L386 HydrophobicContact CD1-CG 4.48Å; L362-F388 HydrophobicContact CD1-CE1 4.26Å; L362-F388 HydrophobicContact CD1-CZ 4.3Å; L362-A413 HydrophobicContact CD2-CB 3.55Å; L362-A413 HydrophobicContact CG-CB 4.31Å
363	E	98.3	Very high	97.2	Very high	116 Å²	116	29.5 Å²	29.5	54%	0.542	15%	0.145	S	C	.	.	H	α-helix	trans	-58.8	-46.9	177.2	-176.6	-178.3	-163.5	0	0	112	E359 V361 V365 R366 I367	E359-E363 WeakPolarHBondContact O-CB 3.46Å; E359-E363 PolarHBondContact O-N 3.44Å; V361-E363 VanDerWaalsContact C-N 3.3Å; V361-E363 PolarHBondContact O-N 3.07Å; E363-V365 PolarHBondContact O-N 2.61Å; E363-R366 PolarHBondContact O-N 3.5Å; E363-I367 PolarHBondContact N-O 3.45Å
364	L	98.4	Very high	97.1	Very high	66 Å²	66	29.2 Å²	29.2	35%	0.346	14%	0.144	S	C	.	.	H	α-helix	trans	-63.4	-28	-180	-70.6	171.5	0	0	0	113.2	K360 V361 L362 V436 I446	K360-L364 VanDerWaalsContact O-CG 3.31Å; K360-L364 WeakPolarHBondContact O-CG 3.4Å; K360-L364 PolarHBondContact O-N 3.29Å; V361-L364 PolarHBondContact O-N 3.48Å; L362-L364 PolarHBondContact O-N 3.08Å; L364-V436 HydrophobicContact CD1-CG1 3.35Å; L364-I446 HydrophobicContact CB-CG2 3.81Å; L364-I446 HydrophobicContact CD1-CD1 4.01Å
365	V	98.7	Very high	97	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	16.3	176.6	-52.7	0	0	0	0	113.2	V361 L362 E363 I367 A413 I446 L449 I453	V361-V365 WeakPolarHBondContact O-CG2 3.28Å; V361-V365 PolarHBondContact O-N 3.1Å; V361-V365 VanDerWaalsContact O-N 3.12Å; L362-V365 CarbonylContact O-C 3.58Å; L362-V365 WeakPolarHBondContact O-CG2 3.32Å; L362-V365 PolarHBondContact O-N 3.13Å; E363-V365 PolarHBondContact O-N 2.61Å; V365-I367 VanDerWaalsContact C-N 3.35Å; V365-I367 HydrophobicContact CG2-CD1 4.07Å; V365-I367 HydrophobicContact CG2-CG1 4.17Å; V365-I367 PolarHBondContact O-N 2.81Å; V365-A413 HydrophobicContact CG2-CB 4.04Å; V365-I446 HydrophobicContact CG1-CB 4.27Å; V365-I446 HydrophobicContact CG1-CG1 4.4Å; V365-I446 HydrophobicContact CG1-CG2 3.84Å; V365-L449 HydrophobicContact CB-CD2 4.23Å; V365-L449 HydrophobicContact CB-CG 4.14Å; V365-L449 HydrophobicContact CG1-CB 4.17Å; V365-L449 HydrophobicContact CG1-CD2 4.04Å; V365-L449 HydrophobicContact CG1-CG 4.15Å; V365-L449 HydrophobicContact CG2-CD2 4.09Å; V365-L449 HydrophobicContact CG2-CG 4.38Å; V365-I453 HydrophobicContact CB-CD1 3.94Å; V365-I453 HydrophobicContact CG2-CD1 3.81Å; V365-I453 WeakPolarHBondContact O-CD1 3.44Å
366	R	98.4	Very high	96.5	Very high	87 Å²	87	30.5 Å²	30.5	33%	0.328	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	25.7	177.5	-53.3	-71.9	-158.5	178.2	5.7	115.2	G26 L27 L362 E363 K450 I453 E454	G26-R366 CarbonylContact C-O 3.55Å; G26-R366 VanDerWaalsContact CA-O 3.3Å; G26-R366 WeakPolarHBondContact CA-O 3.32Å; L27-R366 PolarHBondContact N-O 3.48Å; L362-R366 PolarHBondContact O-N 2.97Å; E363-R366 PolarHBondContact O-N 3.5Å; R366-K450 HydrophobicContact CG-CG 4.02Å; R366-I453 HydrophobicContact CB-CG2 4.23Å; R366-E454 HydrophobicContact CG-CG 3.97Å; R366-E454 IonicContact CZ-OE1 3.02Å; R366-E454 IonicContact NE-OE1 3.27Å; R366-E454 PolarHBondContact NE-OE1 2.94Å; R366-E454 IonicContact NH2-OE1 3.58Å; R366-E454 PolarHBondContact NH2-OE1 2.71Å
367	I	98.8	Very high	96.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107.5	167	-59.4	172.7	0	0	0	108.3	L27 L29 L362 E363 V365 A369 F409 I410 I453	L27-I367 HydrophobicContact CB-CG1 4.21Å; L27-I367 HydrophobicContact CD1-CG1 4.14Å; L29-I367 HydrophobicContact CD1-CG2 3.71Å; L29-I367 HydrophobicContact CG-CG2 4.49Å; L362-I367 CarbonylContact C-O 3.49Å; L362-I367 HydrophobicContact CB-CB 4.08Å; L362-I367 HydrophobicContact CB-CG2 4.38Å; L362-I367 WeakPolarHBondContact CB-O 3.36Å; L362-I367 HydrophobicContact CD2-CB 3.89Å; L362-I367 HydrophobicContact CD2-CD1 3.75Å; L362-I367 HydrophobicContact CD2-CG1 4.4Å; L362-I367 HydrophobicContact CD2-CG2 3.87Å; L362-I367 WeakPolarHBondContact O-CA 3.49Å; L362-I367 PolarHBondContact O-N 3.07Å; L362-I367 VanDerWaalsContact O-O 3.11Å; E363-I367 PolarHBondContact N-O 3.45Å; V365-I367 VanDerWaalsContact C-N 3.35Å; V365-I367 HydrophobicContact CG2-CD1 4.07Å; V365-I367 HydrophobicContact CG2-CG1 4.17Å; V365-I367 PolarHBondContact O-N 2.81Å; I367-A369 PolarHBondContact O-N 3.21Å; I367-F409 HydrophobicContact CD1-CB 4.02Å; I367-I410 HydrophobicContact CD1-CG1 4.32Å; I367-I453 HydrophobicContact CD1-CD1 3.82Å; I367-I453 HydrophobicContact CG1-CD1 3.94Å
368	A	98.6	Very high	95.1	Very high	20 Å²	20	37.3 Å²	37.3	17%	0.165	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.1	175.1	0	0	0	0	0	109.3	L27 E28 L29 I30	L27-A368 PolarHBondContact O-N 3.45Å; E28-A368 WeakPolarHBondContact OE1-CB 2.94Å; E28-A368 WeakPolarHBondContact OE2-CB 3.39Å; L29-A368 CarbonylContact C-O 3.51Å; L29-A368 VanDerWaalsContact CA-O 3.26Å; L29-A368 WeakPolarHBondContact CA-O 3.36Å; L29-A368 WeakPolarHBondContact CB-O 3.41Å; L29-A368 PolarHBondContact N-O 3.47Å; I30-A368 HydrophobicContact CD1-CB 4.24Å; I30-A368 HydrophobicContact CG1-CB 4.34Å; I30-A368 PolarHBondContact N-O 2.92Å
369	A	97.7	Very high	94.1	Very high	10 Å²	10	38.9 Å²	38.9	8%	0.083	21%	0.214	C	C	.	.			trans	-142.6	176.6	174.2	0	0	0	0	0	108.3	L362 I367 F388	L362-A369 HydrophobicContact CD1-CB 4.38Å; I367-A369 PolarHBondContact O-N 3.21Å; A369-F388 HydrophobicContact CB-CD1 3.69Å; A369-F388 HydrophobicContact CB-CE1 3.49Å; A369-F388 VanDerWaalsContact CB-CE1 3.49Å
370	N	95.8	Very high	93.1	Very high	30 Å²	30	39.2 Å²	39.2	16%	0.16	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.3	175.8	73.8	-96	0	0	0	111.6	R387	N370-R387 PolarHBondContact O-N 3.13Å; N370-R387 VanDerWaalsContact OD1-CZ 3.28Å; N370-R387 PolarHBondContact OD1-NE 3.22Å; N370-R387 PolarHBondContact OD1-NH2 2.64Å
371	K	96.6	Very high	92.3	Very high	83 Å²	83	44 Å²	44	36%	0.361	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	141.5	162.7	69.1	-167.6	154.1	-78.2	0	109.6	A356 E359 P383 G385	A356-K371 HydrophobicContact CB-CD 3.99Å; E359-K371 IonicContact OE1-NZ 2.89Å; E359-K371 PolarHBondContact OE1-NZ 3.45Å; E359-K371 WeakPolarHBondContact OE2-CB 3.31Å; E359-K371 WeakPolarHBondContact OE2-CD 3.17Å; E359-K371 WeakPolarHBondContact OE2-CG 3.37Å; E359-K371 PolarHBondContact OE2-N 3.27Å; E359-K371 IonicContact OE2-NZ 2.98Å; E359-K371 PolarHBondContact OE2-NZ 2.91Å; K371-P383 HydrophobicContact CB-CB 4.33Å; K371-P383 HydrophobicContact CB-CG 3.68Å; K371-P383 HydrophobicContact CD-CG 3.72Å; K371-P383 HydrophobicContact CG-CG 3.57Å; K371-G385 WeakPolarHBondContact CA-O 3.27Å
372	N	96.9	Very high	91.7	Very high	24 Å²	24	51.9 Å²	51.9	13%	0.128	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142.6	-177.1	-156.5	98.8	0	0	0	109.3	A184 L345 P383 G385 R387	A184-N372 WeakPolarHBondContact CB-ND2 3.34Å; A184-N372 WeakPolarHBondContact CB-OD1 3.32Å; L345-N372 HydrophobicContact CD1-CB 3.71Å; N372-P383 VanDerWaalsContact O-CB 3.25Å; N372-P383 WeakPolarHBondContact O-CB 3.37Å; N372-G385 PolarHBondContact N-O 2.86Å; N372-G385 CarbonylContact O-C 3.57Å; N372-G385 WeakPolarHBondContact O-CA 3.37Å; N372-G385 PolarHBondContact O-N 2.81Å; N372-G385 VanDerWaalsContact O-N 3.1Å; N372-R387 HydrophobicContact CB-CB 3.91Å
373	T	94.1	Very high	91.4	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.092	28%	0.283	C	S	.	.			trans	-61.3	144.7	171.9	46.1	0	0	0	0	109.8	P123 D377 A380 P383	P123-T373 VanDerWaalsContact C-OG1 3.29Å; P123-T373 WeakPolarHBondContact CA-OG1 3.41Å; P123-T373 HydrophobicContact CB-CG2 4.18Å; P123-T373 WeakPolarHBondContact O-CB 3.34Å; P123-T373 PolarHBondContact O-OG1 2.66Å; T373-D377 VanDerWaalsContact CA-OD2 3.25Å; T373-D377 WeakPolarHBondContact CA-OD2 3.32Å; T373-A380 HydrophobicContact CG2-CB 4.24Å; T373-P383 HydrophobicContact CG2-CB 4.3Å
374	C	93.2	Very high	91.2	Very high	1 Å²	1	47 Å²	47	1%	0.007	26%	0.259	C	S	.	.			trans	-106.6	154.7	168.3	-70.6	0	0	0	0	109.7	V335 G376 D377	V335-C374 HydrophobicContact CG2-CB 4.21Å; C374-G376 PolarHBondContact O-N 3.29Å; C374-D377 PolarHBondContact N-OD2 3.29Å; C374-D377 WeakPolarHBondContact O-CB 3.45Å; C374-D377 VanDerWaalsContact O-CG 3.26Å; C374-D377 PolarHBondContact O-N 3.31Å
375	P	91.3	Very high	91.1	Very high	9 Å²	9	43.8 Å²	43.8	6%	0.058	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	130.8	171.2	-26.9	36.5	0	0	0	111	V154 V335 R349	V154-P375 HydrophobicContact CG2-CB 3.79Å; V154-P375 HydrophobicContact CG2-CG 3.77Å; V335-P375 HydrophobicContact CG1-CG 3.66Å; R349-P375 PolarHBondContact NH1-O 3.43Å; R349-P375 PolarHBondContact NH2-O 2.92Å
376	G	85.7	Confident	91.1	Very high	48 Å²	48	43.8 Å²	43.8	50%	0.495	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-2.5	-175.9	0	0	0	0	0	115.9	C374 V378	C374-G376 PolarHBondContact O-N 3.29Å; G376-V378 PolarHBondContact O-N 3.35Å
377	D	87.9	Confident	91.1	Very high	32 Å²	32	40.6 Å²	40.6	17%	0.171	23%	0.23	C	C	.	.			trans	-63.8	128.6	173.2	-76.5	-6.7	0	0	0	111.5	R349 T373 C374 S379 G384	R349-D377 IonicContact CZ-OD1 3.76Å; R349-D377 IonicContact NE-OD1 3.7Å; R349-D377 IonicContact NH1-OD1 3.09Å; R349-D377 PolarHBondContact NH1-OD1 2.84Å; T373-D377 VanDerWaalsContact CA-OD2 3.25Å; T373-D377 WeakPolarHBondContact CA-OD2 3.32Å; C374-D377 PolarHBondContact N-OD2 3.29Å; C374-D377 WeakPolarHBondContact O-CB 3.45Å; C374-D377 VanDerWaalsContact O-CG 3.26Å; C374-D377 PolarHBondContact O-N 3.31Å; D377-S379 VanDerWaalsContact C-N 3.27Å; D377-S379 PolarHBondContact O-N 3.11Å; D377-G384 PolarHBondContact OD2-N 3.41Å
378	V	76.2	Confident	91.1	Very high	145 Å²	145	40.5 Å²	40.5	88%	0.879	23%	0.23	S	C	*	.	S	Bend	trans	-74.7	-15.5	-179.8	-63	0	0	0	0	113.4	G376	G376-V378 PolarHBondContact O-N 3.35Å
379	S	76.3	Confident	91.1	Very high	33 Å²	33	39.6 Å²	39.6	23%	0.231	22%	0.223	C	C	.	.			trans	-152.2	129.9	-176.7	178.5	0	0	0	0	112.2	D377 L381 R382	D377-S379 VanDerWaalsContact C-N 3.27Å; D377-S379 PolarHBondContact O-N 3.11Å; S379-L381 PolarHBondContact O-N 2.98Å; S379-L381 PolarHBondContact OG-N 3.21Å; S379-L381 VanDerWaalsContact OG-N 3.16Å; S379-R382 CarbonylContact O-C 3.56Å; S379-R382 PolarHBondContact O-N 3.09Å
380	A	77.9	Confident	91.2	Very high	45 Å²	45	39.1 Å²	39.1	37%	0.372	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.6	171.8	0	0	0	0	0	113.7	T373 R382	T373-A380 HydrophobicContact CG2-CB 4.24Å; A380-R382 VanDerWaalsContact C-N 3.34Å
381	L	80.7	Confident	91.3	Very high	159 Å²	159	37.8 Å²	37.8	83%	0.832	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-15.2	177.8	-63.2	174.4	0	0	0	113.1	S379 P383	S379-L381 PolarHBondContact O-N 2.98Å; S379-L381 PolarHBondContact OG-N 3.21Å; S379-L381 VanDerWaalsContact OG-N 3.16Å; L381-P383 VanDerWaalsContact C-CD 3.46Å
382	R	84.7	Confident	91.4	Very high	165 Å²	165	34 Å²	34	62%	0.623	20%	0.195	S	C	*	.	S	Bend	trans	-130.6	69.7	178.5	-69.2	-170.2	-63.7	-104.2	-0.8	110	S379 A380 G384	S379-R382 CarbonylContact O-C 3.56Å; S379-R382 PolarHBondContact O-N 3.09Å; A380-R382 VanDerWaalsContact C-N 3.34Å; R382-G384 PolarHBondContact O-N 2.88Å
383	P	93	Very high	91.5	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.058	19%	0.189	C	C	.	.			trans	-61	130.1	-179.7	22.5	-31.7	0	0	0	111.4	G355 K371 N372 T373 L381 G385	G355-P383 PolarHBondContact N-O 3.23Å; K371-P383 HydrophobicContact CB-CB 4.33Å; K371-P383 HydrophobicContact CB-CG 3.68Å; K371-P383 HydrophobicContact CD-CG 3.72Å; K371-P383 HydrophobicContact CG-CG 3.57Å; N372-P383 VanDerWaalsContact O-CB 3.25Å; N372-P383 WeakPolarHBondContact O-CB 3.37Å; T373-P383 HydrophobicContact CG2-CB 4.3Å; L381-P383 VanDerWaalsContact C-CD 3.46Å; P383-G385 VanDerWaalsContact C-N 3.3Å; P383-G385 PolarHBondContact O-N 3.49Å
384	G	94.6	Very high	91.8	Very high	4 Å²	4	32.3 Å²	32.3	4%	0.041	19%	0.186	C	C	.	.			trans	-81.1	-1.4	-179.4	0	0	0	0	0	114.8	L348 D377 R382	L348-G384 WeakPolarHBondContact CA-O 3.45Å; L348-G384 VanDerWaalsContact CB-O 3.31Å; L348-G384 WeakPolarHBondContact CB-O 3.49Å; L348-G384 PolarHBondContact N-O 2.91Å; D377-G384 PolarHBondContact OD2-N 3.41Å; R382-G384 PolarHBondContact O-N 2.88Å
385	G	96.9	Very high	92	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	-179.8	-173.6	0	0	0	0	0	116.1	L346 G355 K371 N372 P383	L346-G385 CarbonylContact O-C 3.59Å; L346-G385 WeakPolarHBondContact O-CA 3.27Å; G355-G385 WeakPolarHBondContact CA-O 3.31Å; K371-G385 WeakPolarHBondContact CA-O 3.27Å; N372-G385 PolarHBondContact N-O 2.86Å; N372-G385 CarbonylContact O-C 3.57Å; N372-G385 WeakPolarHBondContact O-CA 3.37Å; N372-G385 PolarHBondContact O-N 2.81Å; N372-G385 VanDerWaalsContact O-N 3.1Å; P383-G385 VanDerWaalsContact C-N 3.3Å; P383-G385 PolarHBondContact O-N 3.49Å
386	L	98.3	Very high	92.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.6	176.5	-72.3	168.3	0	0	0	110	L346 L348 A358 E359 L362 F388 I414	L346-L386 PolarHBondContact N-O 3.38Å; L346-L386 PolarHBondContact O-N 3.32Å; L348-L386 HydrophobicContact CD1-CD1 3.84Å; L348-L386 HydrophobicContact CD1-CG 3.84Å; A358-L386 HydrophobicContact CB-CD1 3.81Å; A358-L386 HydrophobicContact CB-CG 4.45Å; E359-L386 HydrophobicContact CB-CD2 4.08Å; L362-L386 HydrophobicContact CD1-CD1 3.52Å; L362-L386 HydrophobicContact CD1-CD2 4.13Å; L362-L386 HydrophobicContact CD1-CG 4.48Å; L386-F388 HydrophobicContact CB-CE1 4.49Å; L386-F388 HydrophobicContact CB-CE2 3.9Å; L386-F388 HydrophobicContact CB-CZ 3.84Å; L386-F388 HydrophobicContact CD1-CE2 4.44Å; L386-F388 HydrophobicContact CD1-CZ 3.83Å; L386-F388 HydrophobicContact CG-CZ 4.45Å; L386-I414 HydrophobicContact CD1-CD1 4.46Å
387	R	98.6	Very high	93	Very high	19 Å²	19	34.7 Å²	34.7	7%	0.072	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.1	173	-173.7	-176.5	68.9	164.6	0.1	109.4	A31 S183 C344 L345 N370 N372	A31-R387 HydrophobicContact CB-CG 4.28Å; S183-R387 PolarHBondContact O-NH1 2.86Å; C344-R387 WeakPolarHBondContact O-CA 3.28Å; L345-R387 HydrophobicContact CD1-CB 4.38Å; N370-R387 PolarHBondContact O-N 3.13Å; N370-R387 VanDerWaalsContact OD1-CZ 3.28Å; N370-R387 PolarHBondContact OD1-NE 3.22Å; N370-R387 PolarHBondContact OD1-NH2 2.64Å; N372-R387 HydrophobicContact CB-CB 3.91Å
388	F	98.8	Very high	93.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.8	174.6	-57.8	-67.7	0	0	0	110.4	L29 L323 L327 L343 C344 L346 L362 A369 L386 I410	L29-F388 HydrophobicContact CB-CB 4.49Å; L29-F388 HydrophobicContact CB-CD1 3.9Å; L29-F388 HydrophobicContact CD1-CD1 3.77Å; L29-F388 HydrophobicContact CD1-CE1 4.18Å; L29-F388 HydrophobicContact CG-CD1 4.47Å; L29-F388 CarbonylContact O-C 3.54Å; L29-F388 WeakPolarHBondContact O-CA 3.49Å; L323-F388 HydrophobicContact CD2-CB 4.01Å; L327-F388 HydrophobicContact CD1-CD2 4.39Å; L343-F388 CarbonylContact C-O 3.6Å; L343-F388 WeakPolarHBondContact CA-O 3Å; L343-F388 WeakPolarHBondContact CB-O 3.33Å; C344-F388 PolarHBondContact N-O 2.97Å; C344-F388 PolarHBondContact O-N 3.12Å; L346-F388 HydrophobicContact CB-CE2 4.19Å; L346-F388 HydrophobicContact CD1-CE2 4.25Å; L362-F388 HydrophobicContact CD1-CE1 4.26Å; L362-F388 HydrophobicContact CD1-CZ 4.3Å; A369-F388 HydrophobicContact CB-CD1 3.69Å; A369-F388 HydrophobicContact CB-CE1 3.49Å; A369-F388 VanDerWaalsContact CB-CE1 3.49Å; L386-F388 HydrophobicContact CB-CE1 4.49Å; L386-F388 HydrophobicContact CB-CE2 3.9Å; L386-F388 HydrophobicContact CB-CZ 3.84Å; L386-F388 HydrophobicContact CD1-CE2 4.44Å; L386-F388 HydrophobicContact CD1-CZ 3.83Å; L386-F388 HydrophobicContact CG-CZ 4.45Å; F388-I410 HydrophobicContact CD1-CD1 4.4Å; F388-I410 HydrophobicContact CE1-CD1 4.16Å; F388-I410 HydrophobicContact CE1-CG1 4.42Å; F388-I410 HydrophobicContact CE2-CG2 4.25Å; F388-I410 HydrophobicContact CZ-CD1 4.23Å; F388-I410 HydrophobicContact CZ-CG1 4.46Å; F388-I410 HydrophobicContact CZ-CG2 3.8Å
389	G	98.8	Very high	94.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155	171.1	0	0	0	0	0	112.5	L29 H342	L29-G389 WeakPolarHBondContact CD2-O 3.46Å; L29-G389 PolarHBondContact O-N 2.74Å; H342-G389 CarbonylContact O-C 3.54Å; H342-G389 WeakPolarHBondContact O-CA 3.5Å
390	S	98.9	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-98.3	-13.7	-174.4	52.6	0	0	0	0	114.1	V316 M320 H342 A392 T394	V316-S390 WeakPolarHBondContact CG1-OG 3.44Å; V316-S390 PolarHBondContact O-OG 2.99Å; M320-S390 VanDerWaalsContact CE-N 3.29Å; H342-S390 PolarHBondContact O-N 2.81Å; H342-S390 PolarHBondContact O-OG 2.87Å; S390-A392 PolarHBondContact O-N 3.03Å; S390-T394 VanDerWaalsContact O-CB 3.31Å; S390-T394 WeakPolarHBondContact O-CB 3.36Å; S390-T394 PolarHBondContact O-N 2.82Å; S390-T394 PolarHBondContact O-OG1 3.25Å
391	A	98.8	Very high	96.6	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-44.6	-165.2	0	0	0	0	0	114.2	T238 Y312 V316 S395	T238-A391 HydrophobicContact CG2-CB 4.34Å; Y312-A391 PolarHBondContact OH-O 3.11Å; V316-A391 HydrophobicContact CG1-CB 4.5Å; A391-S395 PolarHBondContact O-N 3.41Å; A391-S395 VanDerWaalsContact O-N 3.09Å; A391-S395 PolarHBondContact O-OG 2.96Å
392	A	98.8	Very high	97.5	Very high	2 Å²	2	30 Å²	30	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-68.1	-51.5	-176.9	0	0	0	0	0	112.2	E28 F35 S390 T394 S395 R396	E28-A392 HydrophobicContact CB-CB 4.02Å; E28-A392 HydrophobicContact CG-CB 3.98Å; F35-A392 HydrophobicContact CD2-CB 4.25Å; F35-A392 WeakPolarHBondContact CD2-O 3.16Å; F35-A392 HydrophobicContact CE2-CB 3.84Å; F35-A392 WeakPolarHBondContact CE2-O 3.24Å; S390-A392 PolarHBondContact O-N 3.03Å; A392-T394 VanDerWaalsContact C-N 3.3Å; A392-T394 PolarHBondContact O-N 2.9Å; A392-S395 WeakPolarHBondContact O-CB 3.41Å; A392-S395 PolarHBondContact O-N 2.81Å; A392-S395 VanDerWaalsContact O-N 3.09Å; A392-R396 PolarHBondContact O-N 3.42Å
393	L	98.9	Very high	98.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.8	-36.5	176	-66.1	-173.1	0	0	0	112.7	L27 L29 S395 R396 F398 F403 V406	L27-L393 HydrophobicContact CB-CD1 4.33Å; L27-L393 HydrophobicContact CD2-CD1 4.11Å; L27-L393 HydrophobicContact CD2-CD2 4.22Å; L29-L393 HydrophobicContact CD2-CD1 3.66Å; L29-L393 HydrophobicContact CD2-CG 4.39Å; L29-L393 HydrophobicContact CG-CD1 4.29Å; L393-S395 VanDerWaalsContact C-N 3.25Å; L393-S395 PolarHBondContact O-N 2.79Å; L393-R396 CarbonylContact O-C 3.58Å; L393-R396 WeakPolarHBondContact O-CA 3.5Å; L393-R396 WeakPolarHBondContact O-CB 3.38Å; L393-R396 PolarHBondContact O-N 3.26Å; L393-F398 HydrophobicContact CB-CB 4.13Å; L393-F398 HydrophobicContact CB-CD1 4.11Å; L393-F398 HydrophobicContact CB-CD2 4.1Å; L393-F398 HydrophobicContact CB-CG 3.87Å; L393-F398 HydrophobicContact CD1-CD1 4.13Å; L393-F398 HydrophobicContact CD1-CE1 4.09Å; L393-F398 HydrophobicContact CD2-CD2 4.49Å; L393-F398 HydrophobicContact CD2-CE1 4.31Å; L393-F398 HydrophobicContact CD2-CE2 4.11Å; L393-F398 HydrophobicContact CD2-CZ 4.04Å; L393-F398 WeakPolarHBondContact O-CB 3.33Å; L393-F398 WeakPolarHBondContact O-CD2 3.24Å; L393-F398 PolarHBondContact O-N 3.41Å; L393-F403 HydrophobicContact CB-CE2 4.2Å; L393-F403 HydrophobicContact CB-CZ 3.95Å; L393-F403 HydrophobicContact CD1-CZ 4.31Å; L393-V406 HydrophobicContact CD1-CG2 4.06Å
394	T	98.9	Very high	98.4	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-34.8	175.1	-51.3	0	0	0	0	111.4	Y312 Q315 V316 N319 S390 A392 R396 N397	Y312-T394 HydrophobicContact CD2-CG2 3.87Å; Y312-T394 HydrophobicContact CE2-CG2 3.87Å; Q315-T394 HydrophobicContact CB-CG2 3.77Å; Q315-T394 HydrophobicContact CG-CG2 3.74Å; V316-T394 HydrophobicContact CG2-CG2 3.74Å; N319-T394 PolarHBondContact ND2-OG1 2.89Å; S390-T394 VanDerWaalsContact O-CB 3.31Å; S390-T394 WeakPolarHBondContact O-CB 3.36Å; S390-T394 PolarHBondContact O-N 2.82Å; S390-T394 PolarHBondContact O-OG1 3.25Å; A392-T394 VanDerWaalsContact C-N 3.3Å; A392-T394 PolarHBondContact O-N 2.9Å; T394-R396 PolarHBondContact O-N 3.42Å; T394-N397 PolarHBondContact O-N 3.04Å
395	S	98.7	Very high	98.6	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.063	14%	0.136	C	C	.	.	H	α-helix	trans	-66.2	-16.1	172.9	-67.6	0	0	0	0	113.2	N34 R240 Y312 A391 A392 L393 N397 P463	N34-S395 WeakPolarHBondContact OD1-CB 3.27Å; N34-S395 PolarHBondContact OD1-OG 2.92Å; R240-S395 WeakPolarHBondContact CD-OG 3.24Å; R240-S395 PolarHBondContact NH1-OG 2.77Å; Y312-S395 VanDerWaalsContact CE2-OG 3.25Å; Y312-S395 WeakPolarHBondContact CE2-OG 3.37Å; Y312-S395 VanDerWaalsContact CZ-OG 3.32Å; Y312-S395 PolarHBondContact OH-OG 3.31Å; A391-S395 PolarHBondContact O-N 3.41Å; A391-S395 VanDerWaalsContact O-N 3.09Å; A391-S395 PolarHBondContact O-OG 2.96Å; A392-S395 WeakPolarHBondContact O-CB 3.41Å; A392-S395 PolarHBondContact O-N 2.81Å; A392-S395 VanDerWaalsContact O-N 3.09Å; L393-S395 VanDerWaalsContact C-N 3.25Å; L393-S395 PolarHBondContact O-N 2.79Å; S395-N397 VanDerWaalsContact C-N 3.34Å; S395-P463 VanDerWaalsContact O-CG 3.24Å; S395-P463 WeakPolarHBondContact O-CG 3.42Å
396	R	98.5	Very high	98.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	14.1	172.1	-60	-174	62.6	-167.7	-4.6	112.9	Q23 K24 G26 F35 A392 L393 T394 F398 A457 Y460 P461	Q23-R396 PolarHBondContact O-NH1 3.09Å; Q23-R396 VanDerWaalsContact O-NH1 3.1Å; K24-R396 VanDerWaalsContact O-CZ 3.31Å; K24-R396 PolarHBondContact O-NH1 3.29Å; K24-R396 PolarHBondContact O-NH2 3.06Å; G26-R396 PolarHBondContact O-NH1 3.48Å; G26-R396 VanDerWaalsContact O-NH1 3.15Å; F35-R396 HydrophobicContact CD2-CG 3.7Å; F35-R396 VanDerWaalsContact CE2-CD 3.47Å; F35-R396 HydrophobicContact CE2-CG 3.64Å; A392-R396 PolarHBondContact O-N 3.42Å; L393-R396 CarbonylContact O-C 3.58Å; L393-R396 WeakPolarHBondContact O-CA 3.5Å; L393-R396 WeakPolarHBondContact O-CB 3.38Å; L393-R396 PolarHBondContact O-N 3.26Å; T394-R396 PolarHBondContact O-N 3.42Å; R396-F398 HydrophobicContact CB-CD2 3.93Å; R396-F398 HydrophobicContact CB-CE2 4Å; R396-A457 PolarHBondContact NH2-O 3.19Å; R396-Y460 PolarHBondContact NH2-O 3.02Å; R396-P461 VanDerWaalsContact CB-O 3.31Å; R396-P461 WeakPolarHBondContact CB-O 3.49Å; R396-P461 WeakPolarHBondContact CG-O 3.36Å; R396-P461 PolarHBondContact NE-O 2.72Å; R396-P461 WeakPolarHBondContact O-CD 3.11Å
397	N	98.3	Very high	98.8	Very high	99 Å²	99	27.4 Å²	27.4	53%	0.529	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	27.2	-177.7	-57.9	-22.8	0	0	0	115.2	T394 S395 H399	T394-N397 PolarHBondContact O-N 3.04Å; S395-N397 VanDerWaalsContact C-N 3.34Å; N397-H399 PolarHBondContact O-CE1 3.42Å; N397-H399 VanDerWaalsContact O-CE1 3.24Å; N397-H399 PolarHBondContact O-ND1 3.02Å
398	F	98.8	Very high	98.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.			trans	-71	139.7	168.4	-75.8	-126.5	0	0	0	110.4	L27 N319 L393 R396 D402 F403 V406 F456 Y460	L27-F398 HydrophobicContact CD2-CE1 3.78Å; L27-F398 HydrophobicContact CD2-CZ 3.85Å; N319-F398 PolarHBondContact ND2-O 3.03Å; L393-F398 HydrophobicContact CB-CB 4.13Å; L393-F398 HydrophobicContact CB-CD1 4.11Å; L393-F398 HydrophobicContact CB-CD2 4.1Å; L393-F398 HydrophobicContact CB-CG 3.87Å; L393-F398 HydrophobicContact CD1-CD1 4.13Å; L393-F398 HydrophobicContact CD1-CE1 4.09Å; L393-F398 HydrophobicContact CD2-CD2 4.49Å; L393-F398 HydrophobicContact CD2-CE1 4.31Å; L393-F398 HydrophobicContact CD2-CE2 4.11Å; L393-F398 HydrophobicContact CD2-CZ 4.04Å; L393-F398 WeakPolarHBondContact O-CB 3.33Å; L393-F398 WeakPolarHBondContact O-CD2 3.24Å; L393-F398 PolarHBondContact O-N 3.41Å; R396-F398 HydrophobicContact CB-CD2 3.93Å; R396-F398 HydrophobicContact CB-CE2 4Å; F398-D402 VanDerWaalsContact CA-OD2 3.28Å; F398-D402 WeakPolarHBondContact CA-OD2 3.4Å; F398-D402 HydrophobicContact CB-CB 4.09Å; F398-D402 HydrophobicContact CD1-CB 3.6Å; F398-D402 HydrophobicContact CE1-CB 4.39Å; F398-D402 HydrophobicContact CG-CB 4.11Å; F398-F403 HydrophobicContact CB-CD2 4.2Å; F398-F403 HydrophobicContact CB-CE2 3.79Å; F398-V406 HydrophobicContact CD1-CG2 4.21Å; F398-V406 HydrophobicContact CE1-CG2 4.07Å; F398-F456 HydrophobicContact CD1-CE1 4.49Å; F398-F456 HydrophobicContact CE1-CD1 4.43Å; F398-F456 AromaticContact CE1-CE1 3.64Å; F398-F456 HydrophobicContact CE1-CE1 3.64Å; F398-F456 HydrophobicContact CE1-CZ 4.2Å; F398-F456 HydrophobicContact CZ-CE1 4.32Å; F398-Y460 AromaticContact CD2-CD1 3.5Å; F398-Y460 HydrophobicContact CD2-CD1 3.5Å; F398-Y460 VanDerWaalsContact CD2-CD1 3.5Å; F398-Y460 HydrophobicContact CD2-CD2 4.23Å; F398-Y460 AromaticContact CD2-CE1 3.88Å; F398-Y460 HydrophobicContact CD2-CE1 3.88Å; F398-Y460 AromaticContact CD2-CG 3.7Å; F398-Y460 HydrophobicContact CD2-CG 3.7Å; F398-Y460 HydrophobicContact CE1-CD2 4.34Å; F398-Y460 HydrophobicContact CE1-CE2 4.17Å; F398-Y460 AromaticContact CE2-CD1 3.51Å; F398-Y460 HydrophobicContact CE2-CD1 3.51Å; F398-Y460 AromaticContact CE2-CD2 3.42Å; F398-Y460 HydrophobicContact CE2-CD2 3.42Å; F398-Y460 VanDerWaalsContact CE2-CD2 3.42Å; F398-Y460 HydrophobicContact CE2-CE1 4.05Å; F398-Y460 AromaticContact CE2-CE2 3.97Å; F398-Y460 HydrophobicContact CE2-CE2 3.97Å; F398-Y460 AromaticContact CE2-CG 3.17Å; F398-Y460 HydrophobicContact CE2-CG 3.17Å; F398-Y460 HydrophobicContact CG-CD1 4.25Å; F398-Y460 HydrophobicContact CG-CE1 4.17Å; F398-Y460 HydrophobicContact CZ-CD1 4.26Å; F398-Y460 AromaticContact CZ-CD2 3.47Å; F398-Y460 HydrophobicContact CZ-CD2 3.47Å; F398-Y460 VanDerWaalsContact CZ-CD2 3.47Å; F398-Y460 HydrophobicContact CZ-CE1 4.46Å; F398-Y460 AromaticContact CZ-CE2 3.73Å; F398-Y460 HydrophobicContact CZ-CE2 3.73Å; F398-Y460 AromaticContact CZ-CG 3.78Å; F398-Y460 HydrophobicContact CZ-CG 3.78Å
399	H	98.7	Very high	98.8	Very high	83 Å²	83	29.8 Å²	29.8	38%	0.384	15%	0.148	S	C	.	.			trans	-120.6	-177.6	176.7	-63.6	77.9	0	0	0	111.2	N319 N397 E401 D402 F403	N319-H399 WeakPolarHBondContact OD1-CA 3.08Å; N397-H399 PolarHBondContact O-CE1 3.42Å; N397-H399 VanDerWaalsContact O-CE1 3.24Å; N397-H399 PolarHBondContact O-ND1 3.02Å; H399-E401 VanDerWaalsContact C-N 3.3Å; H399-E401 PolarHBondContact O-N 3.32Å; H399-D402 PolarHBondContact N-OD2 3.18Å; H399-D402 WeakPolarHBondContact O-CB 3.45Å; H399-D402 PolarHBondContact O-N 3.28Å; H399-F403 PolarHBondContact O-N 3.04Å
400	E	98.8	Very high	98.8	Very high	65 Å²	65	29.8 Å²	29.8	30%	0.304	15%	0.148	S	C	.	.	H	α-helix	trans	-57.4	-40.8	-172.3	-66.2	98.4	136.3	0	0	113	Q315 K318 N319 Q322 D402 F403 V404	Q315-E400 VanDerWaalsContact NE2-CD 3.35Å; Q315-E400 PolarHBondContact NE2-OE2 2.86Å; K318-E400 HydrophobicContact CB-CG 4.11Å; K318-E400 WeakPolarHBondContact CB-OE1 3.37Å; K318-E400 WeakPolarHBondContact CD-OE1 3.44Å; N319-E400 PolarHBondContact OD1-N 2.81Å; N319-E400 VanDerWaalsContact OD1-N 3.13Å; Q322-E400 HydrophobicContact CB-CB 4.05Å; Q322-E400 HydrophobicContact CB-CG 4.11Å; Q322-E400 HydrophobicContact CG-CB 3.95Å; Q322-E400 VanDerWaalsContact CG-O 3.29Å; Q322-E400 WeakPolarHBondContact CG-O 3.35Å; E400-D402 VanDerWaalsContact C-N 3.3Å; E400-D402 PolarHBondContact O-N 2.97Å; E400-F403 PolarHBondContact O-N 2.85Å; E400-F403 VanDerWaalsContact O-N 3.13Å; E400-V404 PolarHBondContact O-N 3.17Å
401	E	98.6	Very high	98.8	Very high	151 Å²	151	31.9 Å²	31.9	71%	0.706	16%	0.158	S	C	*	.	H	α-helix	trans	-61.7	-38.3	177.4	62.3	-173.9	-179.5	0	0	112.4	H399 F403 V404 K405	H399-E401 VanDerWaalsContact C-N 3.3Å; H399-E401 PolarHBondContact O-N 3.32Å; E401-F403 VanDerWaalsContact C-N 3.32Å; E401-F403 PolarHBondContact O-N 3.12Å; E401-V404 WeakPolarHBondContact O-CB 3.39Å; E401-V404 PolarHBondContact O-N 2.97Å; E401-K405 PolarHBondContact O-N 2.95Å
402	D	98.8	Very high	98.8	Very high	16 Å²	16	34.2 Å²	34.2	9%	0.086	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-38	175.9	-50.5	-44.8	0	0	0	110.3	F398 H399 E400 V404 K405 V406 F456 Y460	F398-D402 VanDerWaalsContact CA-OD2 3.28Å; F398-D402 WeakPolarHBondContact CA-OD2 3.4Å; F398-D402 HydrophobicContact CB-CB 4.09Å; F398-D402 HydrophobicContact CD1-CB 3.6Å; F398-D402 HydrophobicContact CE1-CB 4.39Å; F398-D402 HydrophobicContact CG-CB 4.11Å; H399-D402 PolarHBondContact N-OD2 3.18Å; H399-D402 WeakPolarHBondContact O-CB 3.45Å; H399-D402 PolarHBondContact O-N 3.28Å; E400-D402 VanDerWaalsContact C-N 3.3Å; E400-D402 PolarHBondContact O-N 2.97Å; D402-V404 VanDerWaalsContact C-N 3.28Å; D402-V404 PolarHBondContact O-N 3.29Å; D402-K405 CarbonylContact O-C 3.49Å; D402-K405 WeakPolarHBondContact O-CA 3.5Å; D402-K405 WeakPolarHBondContact O-CB 3.48Å; D402-K405 PolarHBondContact O-N 3.17Å; D402-V406 WeakPolarHBondContact O-CG2 3.32Å; D402-V406 PolarHBondContact O-N 3.17Å; D402-F456 HydrophobicContact CB-CZ 4.06Å; D402-Y460 PolarHBondContact OD1-OH 2.91Å
403	F	98.8	Very high	98.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.6	-21.5	175.5	-88.3	-92.4	0	0	0	113.8	L29 N319 Q322 L323 L393 F398 H399 E400 E401 S407	L29-F403 HydrophobicContact CD2-CE1 4.22Å; N319-F403 HydrophobicContact CB-CD1 4.4Å; N319-F403 HydrophobicContact CB-CD2 3.49Å; N319-F403 VanDerWaalsContact CB-CD2 3.49Å; N319-F403 HydrophobicContact CB-CE1 4.36Å; N319-F403 HydrophobicContact CB-CE2 3.47Å; N319-F403 VanDerWaalsContact CB-CE2 3.47Å; N319-F403 HydrophobicContact CB-CG 3.96Å; N319-F403 HydrophobicContact CB-CZ 3.91Å; N319-F403 VanDerWaalsContact CG-CE2 3.46Å; N319-F403 VanDerWaalsContact ND2-CE2 3.32Å; N319-F403 WeakPolarHBondContact ND2-CE2 3.4Å; Q322-F403 HydrophobicContact CG-CB 4.46Å; L323-F403 HydrophobicContact CB-CD1 3.89Å; L323-F403 HydrophobicContact CD1-CD1 4.38Å; L323-F403 HydrophobicContact CD2-CD1 4.28Å; L323-F403 HydrophobicContact CD2-CE1 4.32Å; L323-F403 HydrophobicContact CG-CD1 4.4Å; L393-F403 HydrophobicContact CB-CE2 4.2Å; L393-F403 HydrophobicContact CB-CZ 3.95Å; L393-F403 HydrophobicContact CD1-CZ 4.31Å; F398-F403 HydrophobicContact CB-CD2 4.2Å; F398-F403 HydrophobicContact CB-CE2 3.79Å; H399-F403 PolarHBondContact O-N 3.04Å; E400-F403 PolarHBondContact O-N 2.85Å; E400-F403 VanDerWaalsContact O-N 3.13Å; E401-F403 VanDerWaalsContact C-N 3.32Å; E401-F403 PolarHBondContact O-N 3.12Å; F403-S407 WeakPolarHBondContact O-CB 3.43Å; F403-S407 PolarHBondContact O-N 3.22Å; F403-S407 PolarHBondContact O-OG 3.38Å
404	V	98.9	Very high	98.8	Very high	63 Å²	63	34.1 Å²	34.1	38%	0.382	17%	0.171	S	C	.	.	H	α-helix	trans	-64.7	-48.4	164.4	179.4	0	0	0	0	109.5	Q322 E400 E401 D402 V406 S407 E408	Q322-V404 HydrophobicContact CG-CG2 3.96Å; E400-V404 PolarHBondContact O-N 3.17Å; E401-V404 WeakPolarHBondContact O-CB 3.39Å; E401-V404 PolarHBondContact O-N 2.97Å; D402-V404 VanDerWaalsContact C-N 3.28Å; D402-V404 PolarHBondContact O-N 3.29Å; V404-V406 PolarHBondContact O-N 2.98Å; V404-S407 PolarHBondContact O-N 2.69Å; V404-S407 VanDerWaalsContact O-N 3.16Å; V404-S407 PolarHBondContact O-OG 3.39Å; V404-E408 PolarHBondContact O-N 3.46Å
405	K	98.8	Very high	98.8	Very high	60 Å²	60	37.5 Å²	37.5	26%	0.261	19%	0.186	S	C	.	.	H	α-helix	trans	-65.7	-40.1	179.1	-171	62.9	-173.3	176	0	112.7	E401 D402 S407 E408 F409 F456	E401-K405 PolarHBondContact O-N 2.95Å; D402-K405 CarbonylContact O-C 3.49Å; D402-K405 WeakPolarHBondContact O-CA 3.5Å; D402-K405 WeakPolarHBondContact O-CB 3.48Å; D402-K405 PolarHBondContact O-N 3.17Å; K405-S407 VanDerWaalsContact C-N 3.28Å; K405-S407 PolarHBondContact O-N 3.25Å; K405-E408 VanDerWaalsContact CD-OE2 3.22Å; K405-E408 WeakPolarHBondContact CD-OE2 3.29Å; K405-E408 IonicContact NZ-OE1 2.6Å; K405-E408 PolarHBondContact NZ-OE1 3.4Å; K405-E408 IonicContact NZ-OE2 2.92Å; K405-E408 PolarHBondContact NZ-OE2 3.31Å; K405-E408 WeakPolarHBondContact O-CB 3.37Å; K405-E408 PolarHBondContact O-N 2.94Å; K405-E408 VanDerWaalsContact O-N 3.16Å; K405-F409 HydrophobicContact CD-CE2 4.33Å; K405-F409 HydrophobicContact CD-CZ 4.27Å; K405-F409 HydrophobicContact CG-CD2 4.19Å; K405-F409 HydrophobicContact CG-CE2 3.7Å; K405-F409 HydrophobicContact CG-CZ 4.08Å; K405-F409 WeakPolarHBondContact O-CD2 3.33Å; K405-F409 PolarHBondContact O-N 3.44Å; K405-F456 HydrophobicContact CB-CE1 4.36Å; K405-F456 HydrophobicContact CB-CE2 4.23Å; K405-F456 HydrophobicContact CB-CZ 3.9Å; K405-F456 HydrophobicContact CG-CD2 4.26Å; K405-F456 HydrophobicContact CG-CE1 4.26Å; K405-F456 HydrophobicContact CG-CE2 4Å; K405-F456 HydrophobicContact CG-CZ 4Å
406	V	98.9	Very high	98.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-42.7	172.5	171.9	0	0	0	0	110.7	L27 L29 L393 F398 D402 V404 E408 F409 I410 F456	L27-V406 HydrophobicContact CD1-CG2 4.25Å; L27-V406 HydrophobicContact CD2-CG2 4.31Å; L29-V406 HydrophobicContact CD1-CG1 3.9Å; L29-V406 HydrophobicContact CD2-CG1 4.19Å; L393-V406 HydrophobicContact CD1-CG2 4.06Å; F398-V406 HydrophobicContact CD1-CG2 4.21Å; F398-V406 HydrophobicContact CE1-CG2 4.07Å; D402-V406 WeakPolarHBondContact O-CG2 3.32Å; D402-V406 PolarHBondContact O-N 3.17Å; V404-V406 PolarHBondContact O-N 2.98Å; V406-E408 VanDerWaalsContact C-N 3.32Å; V406-E408 PolarHBondContact O-N 3.35Å; V406-F409 PolarHBondContact O-N 3.2Å; V406-I410 HydrophobicContact CG1-CD1 3.93Å; V406-I410 HydrophobicContact CG1-CG1 4.45Å; V406-I410 VanDerWaalsContact O-CG1 3.32Å; V406-I410 WeakPolarHBondContact O-CG1 3.48Å; V406-I410 PolarHBondContact O-N 3.23Å; V406-F456 HydrophobicContact CG2-CE1 4.2Å
407	S	98.8	Very high	98.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-33.9	177.7	75.5	0	0	0	0	113.4	S326 F403 V404 K405 H411	S326-S407 VanDerWaalsContact CB-CB 3.48Å; S326-S407 WeakPolarHBondContact CB-OG 3.1Å; F403-S407 WeakPolarHBondContact O-CB 3.43Å; F403-S407 PolarHBondContact O-N 3.22Å; F403-S407 PolarHBondContact O-OG 3.38Å; V404-S407 PolarHBondContact O-N 2.69Å; V404-S407 VanDerWaalsContact O-N 3.16Å; V404-S407 PolarHBondContact O-OG 3.39Å; K405-S407 VanDerWaalsContact C-N 3.28Å; K405-S407 PolarHBondContact O-N 3.25Å; S407-H411 WeakPolarHBondContact O-CB 3.31Å; S407-H411 PolarHBondContact O-N 3.46Å
408	E	98.9	Very high	98.7	Very high	66 Å²	66	33.5 Å²	33.5	31%	0.308	17%	0.165	S	C	.	.	H	α-helix	trans	-63.6	-47.3	172.7	-174.4	-167.7	151.3	0	0	110.4	Y330 V404 K405 V406 I410 H411 V412	Y330-E408 WeakPolarHBondContact OH-CB 3.39Å; V404-E408 PolarHBondContact O-N 3.46Å; K405-E408 VanDerWaalsContact CD-OE2 3.22Å; K405-E408 WeakPolarHBondContact CD-OE2 3.29Å; K405-E408 IonicContact NZ-OE1 2.6Å; K405-E408 PolarHBondContact NZ-OE1 3.4Å; K405-E408 IonicContact NZ-OE2 2.92Å; K405-E408 PolarHBondContact NZ-OE2 3.31Å; K405-E408 WeakPolarHBondContact O-CB 3.37Å; K405-E408 PolarHBondContact O-N 2.94Å; K405-E408 VanDerWaalsContact O-N 3.16Å; V406-E408 VanDerWaalsContact C-N 3.32Å; V406-E408 PolarHBondContact O-N 3.35Å; E408-I410 PolarHBondContact O-N 2.92Å; E408-H411 WeakPolarHBondContact O-CB 3.4Å; E408-H411 PolarHBondContact O-N 3.5Å; E408-H411 VanDerWaalsContact O-N 3.14Å; E408-V412 WeakPolarHBondContact O-CG2 3.23Å; E408-V412 PolarHBondContact O-N 2.9Å
409	F	98.9	Very high	98.7	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-42.2	177.3	-67.6	-43	0	0	0	112.9	L27 I367 K405 V406 H411 V412 A413 L449 E452 I453 F456	L27-F409 HydrophobicContact CD1-CD2 3.89Å; I367-F409 HydrophobicContact CD1-CB 4.02Å; K405-F409 HydrophobicContact CD-CE2 4.33Å; K405-F409 HydrophobicContact CD-CZ 4.27Å; K405-F409 HydrophobicContact CG-CD2 4.19Å; K405-F409 HydrophobicContact CG-CE2 3.7Å; K405-F409 HydrophobicContact CG-CZ 4.08Å; K405-F409 WeakPolarHBondContact O-CD2 3.33Å; K405-F409 PolarHBondContact O-N 3.44Å; V406-F409 PolarHBondContact O-N 3.2Å; F409-H411 VanDerWaalsContact C-N 3.31Å; F409-H411 PolarHBondContact O-N 3.19Å; F409-V412 PolarHBondContact O-N 3.41Å; F409-A413 WeakPolarHBondContact O-CB 3.44Å; F409-A413 PolarHBondContact O-N 3.03Å; F409-L449 HydrophobicContact CD1-CD1 3.54Å; F409-L449 HydrophobicContact CE1-CD1 4.1Å; F409-L449 HydrophobicContact CG-CD1 4.42Å; F409-E452 HydrophobicContact CE1-CB 4.01Å; F409-E452 HydrophobicContact CZ-CB 4.33Å; F409-I453 HydrophobicContact CB-CD1 4.05Å; F409-I453 HydrophobicContact CB-CG1 4.1Å; F409-I453 HydrophobicContact CD1-CD1 4.35Å; F409-I453 HydrophobicContact CD1-CG1 3.8Å; F409-I453 HydrophobicContact CD2-CG1 3.77Å; F409-I453 HydrophobicContact CE1-CG1 4Å; F409-I453 HydrophobicContact CE2-CG1 3.98Å; F409-I453 HydrophobicContact CG-CD1 4.14Å; F409-I453 HydrophobicContact CG-CG1 3.65Å; F409-I453 HydrophobicContact CZ-CG1 4.07Å; F409-F456 HydrophobicContact CD2-CD1 4.36Å; F409-F456 HydrophobicContact CE2-CB 3.89Å; F409-F456 AromaticContact CE2-CD1 3.61Å; F409-F456 HydrophobicContact CE2-CD1 3.61Å; F409-F456 HydrophobicContact CE2-CE1 4.28Å; F409-F456 AromaticContact CE2-CG 3.83Å; F409-F456 HydrophobicContact CE2-CG 3.83Å; F409-F456 HydrophobicContact CZ-CB 4.11Å; F409-F456 HydrophobicContact CZ-CG 4.4Å
410	I	98.9	Very high	98.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-45.6	172.9	-67.9	165	0	0	0	110.2	L29 L323 L327 I367 F388 V406 E408 A413 I414	L29-I410 HydrophobicContact CD1-CD1 3.63Å; L29-I410 HydrophobicContact CD1-CG1 4.14Å; L323-I410 HydrophobicContact CD1-CD1 3.92Å; L327-I410 HydrophobicContact CD2-CB 4.41Å; L327-I410 HydrophobicContact CD2-CG2 3.94Å; I367-I410 HydrophobicContact CD1-CG1 4.32Å; F388-I410 HydrophobicContact CD1-CD1 4.4Å; F388-I410 HydrophobicContact CE1-CD1 4.16Å; F388-I410 HydrophobicContact CE1-CG1 4.42Å; F388-I410 HydrophobicContact CE2-CG2 4.25Å; F388-I410 HydrophobicContact CZ-CD1 4.23Å; F388-I410 HydrophobicContact CZ-CG1 4.46Å; F388-I410 HydrophobicContact CZ-CG2 3.8Å; V406-I410 HydrophobicContact CG1-CD1 3.93Å; V406-I410 HydrophobicContact CG1-CG1 4.45Å; V406-I410 VanDerWaalsContact O-CG1 3.32Å; V406-I410 WeakPolarHBondContact O-CG1 3.48Å; V406-I410 PolarHBondContact O-N 3.23Å; E408-I410 PolarHBondContact O-N 2.92Å; I410-A413 PolarHBondContact O-N 3Å; I410-I414 HydrophobicContact CG2-CD1 3.67Å; I410-I414 HydrophobicContact CG2-CG1 4.4Å; I410-I414 WeakPolarHBondContact O-CG1 3.46Å; I410-I414 PolarHBondContact O-N 3.45Å
411	H	98.8	Very high	98.6	Very high	44 Å²	44	30.8 Å²	30.8	20%	0.204	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-52.5	179	172	66	0	0	0	111.3	Y330 Y332 S407 E408 F409 A413 I414 Q415	Y330-H411 HydrophobicContact CD1-CB 4.09Å; Y330-H411 AromaticContact CD1-CD2 3.56Å; Y330-H411 AromaticContact CD1-CE1 3.86Å; Y330-H411 AromaticContact CD1-CG 3.51Å; Y330-H411 AromaticContact CD1-ND1 3.72Å; Y330-H411 AromaticContact CD1-NE2 3.79Å; Y330-H411 HydrophobicContact CD2-CB 4.01Å; Y330-H411 HydrophobicContact CE1-CB 4.22Å; Y330-H411 AromaticContact CE1-CD2 3.57Å; Y330-H411 AromaticContact CE1-CG 3.83Å; Y330-H411 HydrophobicContact CE2-CB 4.15Å; Y330-H411 HydrophobicContact CG-CB 3.98Å; Y330-H411 AromaticContact CG-CG 3.78Å; Y330-H411 AromaticContact CG-ND1 3.88Å; Y332-H411 HydrophobicContact CE2-CB 4.14Å; Y332-H411 AromaticContact CE2-ND1 3.62Å; Y332-H411 AromaticContact CZ-ND1 3.69Å; Y332-H411 WeakPolarHBondContact OH-CA 3.35Å; Y332-H411 PolarHBondContact OH-ND1 3.43Å; S407-H411 WeakPolarHBondContact O-CB 3.31Å; S407-H411 PolarHBondContact O-N 3.46Å; E408-H411 WeakPolarHBondContact O-CB 3.4Å; E408-H411 PolarHBondContact O-N 3.5Å; E408-H411 VanDerWaalsContact O-N 3.14Å; F409-H411 VanDerWaalsContact C-N 3.31Å; F409-H411 PolarHBondContact O-N 3.19Å; H411-A413 VanDerWaalsContact C-N 3.33Å; H411-A413 PolarHBondContact O-N 2.85Å; H411-I414 PolarHBondContact O-N 2.98Å; H411-I414 VanDerWaalsContact O-N 3.17Å; H411-Q415 PolarHBondContact CE1-NE2 2.95Å; H411-Q415 WeakPolarHBondContact O-CG 3.29Å; H411-Q415 PolarHBondContact O-N 3.43Å
412	V	98.8	Very high	98.5	Very high	51 Å²	51	29.7 Å²	29.7	31%	0.309	15%	0.148	S	C	.	.	H	α-helix	trans	-60.1	-42.9	180	-178.6	0	0	0	0	111	E408 F409 I414 Q415 I416 L449	E408-V412 WeakPolarHBondContact O-CG2 3.23Å; E408-V412 PolarHBondContact O-N 2.9Å; F409-V412 PolarHBondContact O-N 3.41Å; V412-I414 PolarHBondContact O-N 3.31Å; V412-Q415 PolarHBondContact O-N 3.42Å; V412-I416 HydrophobicContact CG1-CD1 4.22Å; V412-I416 WeakPolarHBondContact O-CG1 3.28Å; V412-I416 PolarHBondContact O-N 3.05Å; V412-L449 HydrophobicContact CB-CD1 4.4Å; V412-L449 HydrophobicContact CB-CD2 4.07Å; V412-L449 HydrophobicContact CG1-CD1 4.31Å; V412-L449 HydrophobicContact CG1-CD2 3.86Å
413	A	98.8	Very high	98.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-42.9	176.4	0	0	0	0	0	112.3	V361 L362 V365 F409 I410 H411 I416 A417 L449	V361-A413 HydrophobicContact CG1-CB 4.28Å; V361-A413 WeakPolarHBondContact CG1-O 3.25Å; L362-A413 HydrophobicContact CD2-CB 3.55Å; L362-A413 HydrophobicContact CG-CB 4.31Å; V365-A413 HydrophobicContact CG2-CB 4.04Å; F409-A413 WeakPolarHBondContact O-CB 3.44Å; F409-A413 PolarHBondContact O-N 3.03Å; I410-A413 PolarHBondContact O-N 3Å; H411-A413 VanDerWaalsContact C-N 3.33Å; H411-A413 PolarHBondContact O-N 2.85Å; A413-I416 WeakPolarHBondContact O-CB 3.45Å; A413-I416 PolarHBondContact O-N 2.8Å; A413-A417 PolarHBondContact O-N 3.34Å; A413-L449 HydrophobicContact CB-CD2 3.95Å
414	I	98.8	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-38.7	175.8	-67.9	166.7	0	0	0	110.9	Y332 L348 L351 L386 I410 H411 V412 I416 A417 V418	Y332-I414 HydrophobicContact CE1-CB 4.4Å; Y332-I414 HydrophobicContact CE1-CD1 3.71Å; Y332-I414 HydrophobicContact CE1-CG2 3.88Å; Y332-I414 WeakPolarHBondContact OH-CB 3.43Å; L348-I414 HydrophobicContact CD2-CD1 4.15Å; L348-I414 HydrophobicContact CD2-CG2 4.16Å; L351-I414 HydrophobicContact CD1-CG2 4.04Å; L386-I414 HydrophobicContact CD1-CD1 4.46Å; I410-I414 HydrophobicContact CG2-CD1 3.67Å; I410-I414 HydrophobicContact CG2-CG1 4.4Å; I410-I414 WeakPolarHBondContact O-CG1 3.46Å; I410-I414 PolarHBondContact O-N 3.45Å; H411-I414 PolarHBondContact O-N 2.98Å; H411-I414 VanDerWaalsContact O-N 3.17Å; V412-I414 PolarHBondContact O-N 3.31Å; I414-I416 VanDerWaalsContact C-N 3.33Å; I414-I416 PolarHBondContact O-N 3.29Å; I414-A417 WeakPolarHBondContact O-CB 3.38Å; I414-A417 PolarHBondContact O-N 3.47Å; I414-A417 VanDerWaalsContact O-N 3.16Å; I414-V418 HydrophobicContact CG2-CG2 4.37Å; I414-V418 WeakPolarHBondContact O-CG2 3.45Å; I414-V418 PolarHBondContact O-N 3.13Å
415	Q	98.6	Very high	98.1	Very high	77 Å²	77	35.9 Å²	35.9	36%	0.36	19%	0.189	S	C	.	.	H	α-helix	trans	-64	-38.3	175.6	-63.6	-47.4	-54	0	0	112.3	Y332 H411 V412 A417 V418 K419	Y332-Q415 PolarHBondContact OH-NE2 2.81Å; H411-Q415 PolarHBondContact CE1-NE2 2.95Å; H411-Q415 WeakPolarHBondContact O-CG 3.29Å; H411-Q415 PolarHBondContact O-N 3.43Å; V412-Q415 PolarHBondContact O-N 3.42Å; Q415-A417 VanDerWaalsContact C-N 3.32Å; Q415-A417 PolarHBondContact O-N 3.28Å; Q415-V418 PolarHBondContact O-N 3.41Å; Q415-K419 WeakPolarHBondContact O-CB 3.48Å; Q415-K419 PolarHBondContact O-N 3.36Å
416	I	98.6	Very high	97.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-45.1	171.8	-67.8	165.7	0	0	0	110.2	V361 V412 A413 I414 V418 K419 A420 V442 M445 I446 L449	V361-I416 HydrophobicContact CG1-CB 4.02Å; V361-I416 HydrophobicContact CG1-CG2 3.82Å; V361-I416 HydrophobicContact CG2-CG2 4.42Å; V412-I416 HydrophobicContact CG1-CD1 4.22Å; V412-I416 WeakPolarHBondContact O-CG1 3.28Å; V412-I416 PolarHBondContact O-N 3.05Å; A413-I416 WeakPolarHBondContact O-CB 3.45Å; A413-I416 PolarHBondContact O-N 2.8Å; I414-I416 VanDerWaalsContact C-N 3.33Å; I414-I416 PolarHBondContact O-N 3.29Å; I416-V418 PolarHBondContact O-N 3.3Å; I416-K419 PolarHBondContact O-N 2.86Å; I416-A420 WeakPolarHBondContact O-CB 3.27Å; I416-A420 PolarHBondContact O-N 2.85Å; I416-V442 HydrophobicContact CG2-CG1 4.1Å; I416-M445 HydrophobicContact CD1-CB 3.81Å; I416-M445 HydrophobicContact CG1-CB 3.93Å; I416-M445 HydrophobicContact CG1-CE 3.69Å; I416-M445 HydrophobicContact CG1-SD 4.36Å; I416-I446 HydrophobicContact CG2-CD1 4.3Å; I416-I446 HydrophobicContact CG2-CG1 3.85Å; I416-L449 HydrophobicContact CD1-CB 4.46Å; I416-L449 HydrophobicContact CD1-CD2 3.85Å
417	A	98.4	Very high	97.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-42	178.1	0	0	0	0	0	112.3	I353 V361 A413 I414 Q415 A420 N421 Y432	I353-A417 VanDerWaalsContact CD1-C 3.42Å; I353-A417 HydrophobicContact CD1-CB 3.57Å; I353-A417 WeakPolarHBondContact CD1-O 3.47Å; V361-A417 HydrophobicContact CB-CB 4.12Å; V361-A417 HydrophobicContact CG2-CB 3.93Å; A413-A417 PolarHBondContact O-N 3.34Å; I414-A417 WeakPolarHBondContact O-CB 3.38Å; I414-A417 PolarHBondContact O-N 3.47Å; I414-A417 VanDerWaalsContact O-N 3.16Å; Q415-A417 VanDerWaalsContact C-N 3.32Å; Q415-A417 PolarHBondContact O-N 3.28Å; A417-A420 PolarHBondContact O-N 3.36Å; A417-N421 VanDerWaalsContact O-CB 3.32Å; A417-N421 WeakPolarHBondContact O-CB 3.37Å; A417-N421 PolarHBondContact O-N 2.91Å; A417-Y432 WeakPolarHBondContact CA-OH 3.38Å; A417-Y432 WeakPolarHBondContact CB-OH 3.37Å; A417-Y432 WeakPolarHBondContact O-CE2 3.22Å
418	V	98	Very high	97	Very high	22 Å²	22	49.5 Å²	49.5	13%	0.133	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-48.7	174.8	170.8	0	0	0	0	110.5	I353 I414 Q415 I416 A420 N421 E422	I353-V418 HydrophobicContact CD1-CG2 4.43Å; I353-V418 HydrophobicContact CG2-CG2 4.24Å; I414-V418 HydrophobicContact CG2-CG2 4.37Å; I414-V418 WeakPolarHBondContact O-CG2 3.45Å; I414-V418 PolarHBondContact O-N 3.13Å; Q415-V418 PolarHBondContact O-N 3.41Å; I416-V418 PolarHBondContact O-N 3.3Å; V418-A420 PolarHBondContact O-N 3.23Å; V418-N421 WeakPolarHBondContact O-CB 3.22Å; V418-N421 PolarHBondContact O-N 3.46Å; V418-N421 VanDerWaalsContact O-N 3.15Å; V418-E422 WeakPolarHBondContact O-CG 3.16Å; V418-E422 PolarHBondContact O-N 3.45Å
419	K	97.9	Very high	96.7	Very high	57 Å²	57	49.4 Å²	49.4	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-45.8	177.8	-179.9	169.3	-177.1	161.9	0	112.7	Q415 I416 N421 E422 L423 E441 M445	Q415-K419 WeakPolarHBondContact O-CB 3.48Å; Q415-K419 PolarHBondContact O-N 3.36Å; I416-K419 PolarHBondContact O-N 2.86Å; K419-N421 VanDerWaalsContact C-N 3.27Å; K419-N421 PolarHBondContact O-N 3.37Å; K419-E422 PolarHBondContact O-N 3.41Å; K419-L423 HydrophobicContact CG-CD1 4.11Å; K419-L423 WeakPolarHBondContact O-CB 3.46Å; K419-L423 WeakPolarHBondContact O-CG 3.36Å; K419-L423 PolarHBondContact O-N 3.41Å; K419-E441 WeakPolarHBondContact CE-OE2 3.3Å; K419-E441 IonicContact NZ-OE1 3.9Å; K419-E441 PolarHBondContact NZ-OE1 2.85Å; K419-E441 IonicContact NZ-OE2 2.83Å; K419-E441 PolarHBondContact NZ-OE2 3.17Å; K419-M445 HydrophobicContact CD-SD 4.12Å
420	A	98.1	Very high	96.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-36.5	176.7	0	0	0	0	0	111.7	I416 A417 V418 L423 A424 Y432 V435 V436 V442	I416-A420 WeakPolarHBondContact O-CB 3.27Å; I416-A420 PolarHBondContact O-N 2.85Å; A417-A420 PolarHBondContact O-N 3.36Å; V418-A420 PolarHBondContact O-N 3.23Å; A420-L423 PolarHBondContact O-N 3.42Å; A420-A424 WeakPolarHBondContact O-CB 3.29Å; A420-A424 PolarHBondContact O-N 3.44Å; A420-Y432 HydrophobicContact CB-CD2 4.18Å; A420-Y432 HydrophobicContact CB-CE2 3.6Å; A420-V435 HydrophobicContact CB-CG1 4.17Å; A420-V436 HydrophobicContact CB-CG2 3.87Å; A420-V442 HydrophobicContact CB-CG1 4.08Å; A420-V442 HydrophobicContact CB-CG2 4.15Å
421	N	97.1	Very high	96.5	Very high	34 Å²	34	59.3 Å²	59.3	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-39.7	175.7	-174.2	62.4	0	0	0	112.8	I353 R357 A417 V418 K419 A424 S425 Y432	I353-N421 HydrophobicContact CD1-CB 4.21Å; R357-N421 WeakPolarHBondContact CD-OD1 3.44Å; R357-N421 PolarHBondContact NE-OD1 3.5Å; A417-N421 VanDerWaalsContact O-CB 3.32Å; A417-N421 WeakPolarHBondContact O-CB 3.37Å; A417-N421 PolarHBondContact O-N 2.91Å; V418-N421 WeakPolarHBondContact O-CB 3.22Å; V418-N421 PolarHBondContact O-N 3.46Å; V418-N421 VanDerWaalsContact O-N 3.15Å; K419-N421 VanDerWaalsContact C-N 3.27Å; K419-N421 PolarHBondContact O-N 3.37Å; N421-A424 PolarHBondContact O-N 3.4Å; N421-S425 PolarHBondContact O-N 3.28Å; N421-Y432 HydrophobicContact CB-CD2 4.04Å; N421-Y432 HydrophobicContact CB-CE2 4.1Å
422	E	97	Very high	96.4	Very high	128 Å²	128	57.2 Å²	57.2	60%	0.598	30%	0.295	S	S	*	.	H	α-helix	trans	-63.2	-46.7	173.1	-70.6	173	171.3	0	0	111.5	V418 K419 A424 S425	V418-E422 WeakPolarHBondContact O-CG 3.16Å; V418-E422 PolarHBondContact O-N 3.45Å; K419-E422 PolarHBondContact O-N 3.41Å; E422-A424 VanDerWaalsContact C-N 3.32Å; E422-A424 PolarHBondContact O-N 2.82Å; E422-S425 PolarHBondContact O-N 2.82Å; E422-S425 VanDerWaalsContact O-N 3.08Å; E422-S425 PolarHBondContact O-OG 2.78Å
423	L	97.3	Very high	96.4	Very high	81 Å²	81	57.9 Å²	57.9	42%	0.424	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-36.5	177.7	-72.5	171.4	0	0	0	112.9	K419 A420 S425 V435 V442	K419-L423 HydrophobicContact CG-CD1 4.11Å; K419-L423 WeakPolarHBondContact O-CB 3.46Å; K419-L423 WeakPolarHBondContact O-CG 3.36Å; K419-L423 PolarHBondContact O-N 3.41Å; A420-L423 PolarHBondContact O-N 3.42Å; L423-S425 VanDerWaalsContact C-N 3.26Å; L423-S425 PolarHBondContact O-N 2.9Å; L423-V435 HydrophobicContact CB-CG1 3.84Å; L423-V435 HydrophobicContact CD1-CG1 4.36Å; L423-V442 HydrophobicContact CD1-CG2 3.79Å
424	A	96.5	Very high	96.3	Very high	18 Å²	18	61.2 Å²	61.2	15%	0.149	32%	0.315	C	S	.	.	H	α-helix	trans	-66.3	-31.7	175	0	0	0	0	0	112.1	A420 N421 E422 S426 V435	A420-A424 WeakPolarHBondContact O-CB 3.29Å; A420-A424 PolarHBondContact O-N 3.44Å; N421-A424 PolarHBondContact O-N 3.4Å; E422-A424 VanDerWaalsContact C-N 3.32Å; E422-A424 PolarHBondContact O-N 2.82Å; A424-S426 PolarHBondContact O-N 3.44Å; A424-V435 HydrophobicContact CB-CB 4.39Å; A424-V435 HydrophobicContact CB-CG2 3.83Å
425	S	93.4	Very high	96.3	Very high	110 Å²	110	62.2 Å²	62.2	77%	0.769	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	32.2	177.8	-75.9	0	0	0	0	113.3	N421 E422 L423	N421-S425 PolarHBondContact O-N 3.28Å; E422-S425 PolarHBondContact O-N 2.82Å; E422-S425 VanDerWaalsContact O-N 3.08Å; E422-S425 PolarHBondContact O-OG 2.78Å; L423-S425 VanDerWaalsContact C-N 3.26Å; L423-S425 PolarHBondContact O-N 2.9Å
426	S	92.6	Very high	96.2	Very high	34 Å²	34	58.8 Å²	58.8	24%	0.238	31%	0.305	C	S	.	.	S	Bend	trans	-141	147.4	-174	177.3	0	0	0	0	111.8	A424 L428 D431	A424-S426 PolarHBondContact O-N 3.44Å; S426-L428 VanDerWaalsContact C-N 3.28Å; S426-L428 PolarHBondContact OG-N 2.89Å; S426-L428 VanDerWaalsContact OG-N 3.11Å; S426-D431 WeakPolarHBondContact CB-OD2 3.45Å; S426-D431 PolarHBondContact OG-OD2 3.48Å
427	K	89.4	Confident	96.2	Very high	202 Å²	202	64.1 Å²	64.1	88%	0.878	33%	0.33	S	S	*	.	S	Bend	trans	-76.1	-18	173.7	-66.1	-175.8	179.5	178.7	0	112.5	R357	R357-K427 VanDerWaalsContact NH2-C 3.31Å; R357-K427 PolarHBondContact NH2-O 3.29Å
428	L	92.8	Very high	96.1	Very high	109 Å²	109	68.4 Å²	68.4	57%	0.571	36%	0.356	S	S	*	.			trans	-76.6	131.8	-177.5	-57.8	179.1	0	0	0	110.3	R357 S426 K430 D431 Y432	R357-L428 PolarHBondContact NH2-O 3.32Å; S426-L428 VanDerWaalsContact C-N 3.28Å; S426-L428 PolarHBondContact OG-N 2.89Å; S426-L428 VanDerWaalsContact OG-N 3.11Å; L428-K430 PolarHBondContact O-N 2.97Å; L428-D431 PolarHBondContact O-N 3.17Å; L428-Y432 PolarHBondContact O-N 2.98Å
429	L	93	Very high	96.1	Very high	64 Å²	64	69.6 Å²	69.6	34%	0.335	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-34.4	175.7	-176.9	63.1	0	0	0	111.4	A356 R357 D431 Y432 E433	A356-L429 HydrophobicContact CB-CD2 4.38Å; R357-L429 HydrophobicContact CG-CD1 3.61Å; L429-D431 VanDerWaalsContact C-N 3.33Å; L429-D431 PolarHBondContact O-N 3.05Å; L429-Y432 HydrophobicContact CD1-CD1 4Å; L429-Y432 VanDerWaalsContact O-CB 3.31Å; L429-Y432 WeakPolarHBondContact O-CB 3.41Å; L429-Y432 PolarHBondContact O-N 3.44Å; L429-E433 HydrophobicContact CG-CG 4.42Å; L429-E433 WeakPolarHBondContact O-CG 3.49Å; L429-E433 PolarHBondContact O-N 3Å
430	K	95.9	Very high	96.1	Very high	150 Å²	150	72.6 Å²	72.6	65%	0.652	39%	0.385	S	S	*	.	H	α-helix	trans	-60.3	-40.7	178.9	-171.9	177.9	-179.7	-178.5	0	112.8	L428 Y432 E433 V434	L428-K430 PolarHBondContact O-N 2.97Å; K430-Y432 VanDerWaalsContact C-N 3.31Å; K430-E433 PolarHBondContact O-N 2.98Å; K430-V434 WeakPolarHBondContact O-CG2 3.33Å; K430-V434 PolarHBondContact O-N 3.06Å
431	D	96.8	Very high	96.1	Very high	62 Å²	62	77.5 Å²	77.5	33%	0.332	41%	0.408	S	S	.	.	H	α-helix	trans	-69.3	-35.8	179.6	-59.1	-20.1	0	0	0	110.7	S426 L428 L429 V434 V435	S426-D431 WeakPolarHBondContact CB-OD2 3.45Å; S426-D431 PolarHBondContact OG-OD2 3.48Å; L428-D431 PolarHBondContact O-N 3.17Å; L429-D431 VanDerWaalsContact C-N 3.33Å; L429-D431 PolarHBondContact O-N 3.05Å; D431-V434 PolarHBondContact O-N 2.84Å; D431-V435 PolarHBondContact O-N 3.01Å
432	Y	97.4	Very high	96.2	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-61.7	-46.6	170.9	169.6	-93.9	0	0	0	112.2	R357 K360 V361 A417 A420 N421 L428 L429 K430 V434 V435 V436	R357-Y432 HydrophobicContact CB-CD1 4.16Å; R357-Y432 HydrophobicContact CB-CD2 4.45Å; R357-Y432 HydrophobicContact CB-CE1 3.7Å; R357-Y432 HydrophobicContact CB-CE2 4.01Å; R357-Y432 HydrophobicContact CB-CG 4.49Å; R357-Y432 HydrophobicContact CG-CD1 3.66Å; R357-Y432 HydrophobicContact CG-CD2 4.02Å; R357-Y432 HydrophobicContact CG-CE1 3.74Å; R357-Y432 HydrophobicContact CG-CE2 4.09Å; R357-Y432 HydrophobicContact CG-CG 3.77Å; R357-Y432 PolarHBondContact O-OH 3.03Å; K360-Y432 HydrophobicContact CB-CE1 4.41Å; V361-Y432 WeakPolarHBondContact CG2-OH 3.21Å; A417-Y432 WeakPolarHBondContact CA-OH 3.38Å; A417-Y432 WeakPolarHBondContact CB-OH 3.37Å; A417-Y432 WeakPolarHBondContact O-CE2 3.22Å; A420-Y432 HydrophobicContact CB-CD2 4.18Å; A420-Y432 HydrophobicContact CB-CE2 3.6Å; N421-Y432 HydrophobicContact CB-CD2 4.04Å; N421-Y432 HydrophobicContact CB-CE2 4.1Å; L428-Y432 PolarHBondContact O-N 2.98Å; L429-Y432 HydrophobicContact CD1-CD1 4Å; L429-Y432 VanDerWaalsContact O-CB 3.31Å; L429-Y432 WeakPolarHBondContact O-CB 3.41Å; L429-Y432 PolarHBondContact O-N 3.44Å; K430-Y432 VanDerWaalsContact C-N 3.31Å; Y432-V434 VanDerWaalsContact C-N 3.31Å; Y432-V434 PolarHBondContact O-N 2.84Å; Y432-V435 PolarHBondContact O-N 3.34Å; Y432-V435 VanDerWaalsContact O-N 3.13Å; Y432-V436 HydrophobicContact CD1-CG2 4.17Å; Y432-V436 HydrophobicContact CD2-CG2 4.47Å; Y432-V436 HydrophobicContact CE1-CG2 3.71Å; Y432-V436 HydrophobicContact CE2-CG2 4.05Å; Y432-V436 WeakPolarHBondContact O-CG2 3.18Å; Y432-V436 PolarHBondContact O-N 3.29Å
433	E	97	Very high	96.3	Very high	66 Å²	66	76.8 Å²	76.8	31%	0.308	40%	0.397	S	S	.	.	H	α-helix	trans	-59.5	-42.9	177.9	-71.7	171.1	159.3	0	0	111.4	L429 K430 V435 V436 E437	L429-E433 HydrophobicContact CG-CG 4.42Å; L429-E433 WeakPolarHBondContact O-CG 3.49Å; L429-E433 PolarHBondContact O-N 3Å; K430-E433 PolarHBondContact O-N 2.98Å; E433-V435 VanDerWaalsContact C-N 3.31Å; E433-V435 PolarHBondContact O-N 3.36Å; E433-V436 PolarHBondContact O-N 3.27Å; E433-E437 WeakPolarHBondContact O-CB 3.45Å; E433-E437 WeakPolarHBondContact O-CG 3.37Å; E433-E437 PolarHBondContact O-N 2.86Å
434	V	97.9	Very high	96.3	Very high	69 Å²	69	76.7 Å²	76.7	42%	0.418	40%	0.403	S	S	.	.	H	α-helix	trans	-58.1	-43.6	174.9	171.6	0	0	0	0	111.3	K430 D431 Y432 E437 T438	K430-V434 WeakPolarHBondContact O-CG2 3.33Å; K430-V434 PolarHBondContact O-N 3.06Å; D431-V434 PolarHBondContact O-N 2.84Å; Y432-V434 VanDerWaalsContact C-N 3.31Å; Y432-V434 PolarHBondContact O-N 2.84Å; V434-E437 PolarHBondContact O-N 3.22Å; V434-T438 HydrophobicContact CG1-CG2 4.35Å; V434-T438 WeakPolarHBondContact O-CB 3.25Å; V434-T438 WeakPolarHBondContact O-CG2 3.48Å; V434-T438 PolarHBondContact O-N 2.71Å; V434-T438 PolarHBondContact O-OG1 3.05Å
435	V	98.1	Very high	96.4	Very high	21 Å²	21	78.9 Å²	78.9	13%	0.127	41%	0.411	C	S	.	.	H	α-helix	trans	-63.2	-46.3	176.6	169.8	0	0	0	0	111.4	A420 L423 A424 D431 Y432 E433 E437 T438 N439 V442	A420-V435 HydrophobicContact CB-CG1 4.17Å; L423-V435 HydrophobicContact CB-CG1 3.84Å; L423-V435 HydrophobicContact CD1-CG1 4.36Å; A424-V435 HydrophobicContact CB-CB 4.39Å; A424-V435 HydrophobicContact CB-CG2 3.83Å; D431-V435 PolarHBondContact O-N 3.01Å; Y432-V435 PolarHBondContact O-N 3.34Å; Y432-V435 VanDerWaalsContact O-N 3.13Å; E433-V435 VanDerWaalsContact C-N 3.31Å; E433-V435 PolarHBondContact O-N 3.36Å; V435-E437 PolarHBondContact O-N 3.12Å; V435-T438 PolarHBondContact O-N 2.81Å; V435-N439 HydrophobicContact CG1-CB 3.94Å; V435-N439 WeakPolarHBondContact O-CB 3.45Å; V435-N439 PolarHBondContact O-N 2.96Å; V435-V442 HydrophobicContact CG1-CG2 4.39Å
436	V	98	Very high	96.7	Very high	5 Å²	5	74.2 Å²	74.2	3%	0.03	38%	0.377	C	S	.	.	H	α-helix	trans	-58.5	-37.2	177.8	171.8	0	0	0	0	111.5	V361 L364 A420 Y432 E433 R443 I446	V361-V436 HydrophobicContact CG2-CG2 4.37Å; L364-V436 HydrophobicContact CD1-CG1 3.35Å; A420-V436 HydrophobicContact CB-CG2 3.87Å; Y432-V436 HydrophobicContact CD1-CG2 4.17Å; Y432-V436 HydrophobicContact CD2-CG2 4.47Å; Y432-V436 HydrophobicContact CE1-CG2 3.71Å; Y432-V436 HydrophobicContact CE2-CG2 4.05Å; Y432-V436 WeakPolarHBondContact O-CG2 3.18Å; Y432-V436 PolarHBondContact O-N 3.29Å; E433-V436 PolarHBondContact O-N 3.27Å; V436-R443 WeakPolarHBondContact O-CG 3.49Å; V436-I446 HydrophobicContact CG1-CD1 3.86Å
437	E	96.9	Very high	97	Very high	114 Å²	114	77.1 Å²	77.1	53%	0.533	39%	0.387	S	S	.	.	H	α-helix	trans	-84.7	-23.4	-176.8	-71.4	175.1	-176.5	0	0	114.9	E433 V434 V435 R443	E433-E437 WeakPolarHBondContact O-CB 3.45Å; E433-E437 WeakPolarHBondContact O-CG 3.37Å; E433-E437 PolarHBondContact O-N 2.86Å; V434-E437 PolarHBondContact O-N 3.22Å; V435-E437 PolarHBondContact O-N 3.12Å; E437-R443 VanDerWaalsContact O-CD 3.28Å; E437-R443 WeakPolarHBondContact O-CD 3.3Å; E437-R443 PolarHBondContact O-NH1 2.85Å
438	T	97.5	Very high	97.4	Very high	91 Å²	91	73.9 Å²	73.9	56%	0.558	37%	0.373	S	S	*	.	H	α-helix	trans	-122.2	-24.4	-169.6	65.9	0	0	0	0	114.5	V434 V435 V440	V434-T438 HydrophobicContact CG1-CG2 4.35Å; V434-T438 WeakPolarHBondContact O-CB 3.25Å; V434-T438 WeakPolarHBondContact O-CG2 3.48Å; V434-T438 PolarHBondContact O-N 2.71Å; V434-T438 PolarHBondContact O-OG1 3.05Å; V435-T438 PolarHBondContact O-N 2.81Å; T438-V440 PolarHBondContact O-N 2.81Å
439	N	98.3	Very high	97.7	Very high	46 Å²	46	69 Å²	69	25%	0.246	35%	0.347	C	S	.	.			trans	-72.9	119.6	-179.7	-175.7	-75.9	0	0	0	110.7	V435 E441 V442 R443	V435-N439 HydrophobicContact CG1-CB 3.94Å; V435-N439 WeakPolarHBondContact O-CB 3.45Å; V435-N439 PolarHBondContact O-N 2.96Å; N439-E441 VanDerWaalsContact C-N 3.31Å; N439-E441 PolarHBondContact O-N 3.3Å; N439-E441 WeakPolarHBondContact OD1-CB 3.27Å; N439-E441 PolarHBondContact OD1-N 3.24Å; N439-E441 VanDerWaalsContact OD1-N 3.08Å; N439-V442 HydrophobicContact CB-CB 4.16Å; N439-V442 HydrophobicContact CB-CG2 4.14Å; N439-V442 PolarHBondContact O-N 3.23Å; N439-V442 PolarHBondContact OD1-N 3Å; N439-R443 WeakPolarHBondContact O-CB 3.49Å; N439-R443 VanDerWaalsContact O-CG 3.31Å; N439-R443 WeakPolarHBondContact O-CG 3.2Å; N439-R443 PolarHBondContact O-N 3Å
440	V	98.1	Very high	98	Very high	121 Å²	121	68.1 Å²	68.1	73%	0.733	34%	0.341	S	S	*	.	H	α-helix	trans	-59.2	-41.4	-174.4	178	0	0	0	0	112.2	T438 S444	T438-V440 PolarHBondContact O-N 2.81Å; V440-S444 WeakPolarHBondContact O-CB 3.38Å; V440-S444 PolarHBondContact O-N 3.09Å
441	E	98.1	Very high	98.1	Very high	103 Å²	103	65.6 Å²	65.6	48%	0.481	33%	0.334	S	S	.	.	H	α-helix	trans	-68.8	-49.5	-178.3	-170.7	-176.8	-168	0	0	111.1	K419 N439 R443 S444 M445	K419-E441 WeakPolarHBondContact CE-OE2 3.3Å; K419-E441 IonicContact NZ-OE1 3.9Å; K419-E441 PolarHBondContact NZ-OE1 2.85Å; K419-E441 IonicContact NZ-OE2 2.83Å; K419-E441 PolarHBondContact NZ-OE2 3.17Å; N439-E441 VanDerWaalsContact C-N 3.31Å; N439-E441 PolarHBondContact O-N 3.3Å; N439-E441 WeakPolarHBondContact OD1-CB 3.27Å; N439-E441 PolarHBondContact OD1-N 3.24Å; N439-E441 VanDerWaalsContact OD1-N 3.08Å; E441-R443 VanDerWaalsContact C-N 3.32Å; E441-R443 PolarHBondContact O-N 3.34Å; E441-S444 PolarHBondContact O-N 2.93Å; E441-M445 HydrophobicContact CG-SD 4.48Å; E441-M445 WeakPolarHBondContact O-CG 3.28Å; E441-M445 PolarHBondContact O-N 3.12Å
442	V	98.6	Very high	98.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.4	-45.5	178.4	173.5	0	0	0	0	110.8	I416 A420 L423 V435 N439 S444 M445 I446	I416-V442 HydrophobicContact CG2-CG1 4.1Å; A420-V442 HydrophobicContact CB-CG1 4.08Å; A420-V442 HydrophobicContact CB-CG2 4.15Å; L423-V442 HydrophobicContact CD1-CG2 3.79Å; V435-V442 HydrophobicContact CG1-CG2 4.39Å; N439-V442 HydrophobicContact CB-CB 4.16Å; N439-V442 HydrophobicContact CB-CG2 4.14Å; N439-V442 PolarHBondContact O-N 3.23Å; N439-V442 PolarHBondContact OD1-N 3Å; V442-S444 PolarHBondContact O-N 3.43Å; V442-M445 PolarHBondContact O-N 2.9Å; V442-I446 HydrophobicContact CG1-CD1 3.89Å; V442-I446 HydrophobicContact CG1-CG1 4.5Å; V442-I446 WeakPolarHBondContact O-CG1 3.33Å; V442-I446 PolarHBondContact O-N 3.39Å
443	R	98.5	Very high	98.3	Very high	146 Å²	146	66.1 Å²	66.1	55%	0.551	34%	0.335	S	S	*	.	H	α-helix	trans	-62	-41.5	177.3	-72.6	-179.5	70.4	171.1	-7.4	112.9	V436 E437 N439 E441 M445 I446 E447	V436-R443 WeakPolarHBondContact O-CG 3.49Å; E437-R443 VanDerWaalsContact O-CD 3.28Å; E437-R443 WeakPolarHBondContact O-CD 3.3Å; E437-R443 PolarHBondContact O-NH1 2.85Å; N439-R443 WeakPolarHBondContact O-CB 3.49Å; N439-R443 VanDerWaalsContact O-CG 3.31Å; N439-R443 WeakPolarHBondContact O-CG 3.2Å; N439-R443 PolarHBondContact O-N 3Å; E441-R443 VanDerWaalsContact C-N 3.32Å; E441-R443 PolarHBondContact O-N 3.34Å; R443-M445 VanDerWaalsContact C-N 3.31Å; R443-M445 PolarHBondContact O-N 3.5Å; R443-I446 PolarHBondContact O-N 3Å; R443-E447 WeakPolarHBondContact O-CB 3.04Å; R443-E447 PolarHBondContact O-N 3.44Å
444	S	98.5	Very high	98.4	Very high	79 Å²	79	64.5 Å²	64.5	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-63.4	-39.7	177.3	-179	0	0	0	0	111.5	V440 E441 V442 K448	V440-S444 WeakPolarHBondContact O-CB 3.38Å; V440-S444 PolarHBondContact O-N 3.09Å; E441-S444 PolarHBondContact O-N 2.93Å; V442-S444 PolarHBondContact O-N 3.43Å; S444-K448 WeakPolarHBondContact O-CB 3.33Å; S444-K448 PolarHBondContact O-N 3.07Å
445	M	98.7	Very high	98.4	Very high	64 Å²	64	66.8 Å²	66.8	32%	0.315	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-43.6	174.8	-64.8	174.8	78.5	0	0	112	I416 K419 E441 V442 R443 L449	I416-M445 HydrophobicContact CD1-CB 3.81Å; I416-M445 HydrophobicContact CG1-CB 3.93Å; I416-M445 HydrophobicContact CG1-CE 3.69Å; I416-M445 HydrophobicContact CG1-SD 4.36Å; K419-M445 HydrophobicContact CD-SD 4.12Å; E441-M445 HydrophobicContact CG-SD 4.48Å; E441-M445 WeakPolarHBondContact O-CG 3.28Å; E441-M445 PolarHBondContact O-N 3.12Å; V442-M445 PolarHBondContact O-N 2.9Å; R443-M445 VanDerWaalsContact C-N 3.31Å; R443-M445 PolarHBondContact O-N 3.5Å; M445-L449 WeakPolarHBondContact O-CB 3.12Å; M445-L449 PolarHBondContact O-N 3.29Å
446	I	98.7	Very high	98.4	Very high	13 Å²	13	67.1 Å²	67.1	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-49.7	177.1	-71.7	173.3	0	0	0	110.7	V361 L364 V365 I416 V436 V442 R443 K448 L449 K450	V361-I446 HydrophobicContact CG1-CG1 4.45Å; L364-I446 HydrophobicContact CB-CG2 3.81Å; L364-I446 HydrophobicContact CD1-CD1 4.01Å; V365-I446 HydrophobicContact CG1-CB 4.27Å; V365-I446 HydrophobicContact CG1-CG1 4.4Å; V365-I446 HydrophobicContact CG1-CG2 3.84Å; I416-I446 HydrophobicContact CG2-CD1 4.3Å; I416-I446 HydrophobicContact CG2-CG1 3.85Å; V436-I446 HydrophobicContact CG1-CD1 3.86Å; V442-I446 HydrophobicContact CG1-CD1 3.89Å; V442-I446 HydrophobicContact CG1-CG1 4.5Å; V442-I446 WeakPolarHBondContact O-CG1 3.33Å; V442-I446 PolarHBondContact O-N 3.39Å; R443-I446 PolarHBondContact O-N 3Å; I446-K448 PolarHBondContact O-N 2.92Å; I446-L449 PolarHBondContact O-N 2.97Å; I446-K450 VanDerWaalsContact O-CB 3.26Å; I446-K450 WeakPolarHBondContact O-CB 3.47Å; I446-K450 PolarHBondContact O-N 3.47Å
447	E	98.6	Very high	98.5	Very high	94 Å²	94	66.9 Å²	66.9	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-42.4	-177.9	-171.6	60.3	-153.6	0	0	111.6	R443 K450 L451	R443-E447 WeakPolarHBondContact O-CB 3.04Å; R443-E447 PolarHBondContact O-N 3.44Å; E447-K450 PolarHBondContact O-N 3.28Å; E447-L451 WeakPolarHBondContact O-CG 3.45Å; E447-L451 PolarHBondContact O-N 3.4Å; E447-L451 VanDerWaalsContact O-N 3.09Å
448	K	98.7	Very high	98.5	Very high	135 Å²	135	63.9 Å²	63.9	59%	0.587	32%	0.323	S	S	*	.	H	α-helix	trans	-59.9	-50.2	175.5	-178.4	-178.3	172.4	-174.7	0	111.4	S444 I446 K450 L451 E452	S444-K448 WeakPolarHBondContact O-CB 3.33Å; S444-K448 PolarHBondContact O-N 3.07Å; I446-K448 PolarHBondContact O-N 2.92Å; K448-K450 VanDerWaalsContact C-N 3.33Å; K448-K450 PolarHBondContact O-N 2.87Å; K448-L451 PolarHBondContact O-N 2.64Å; K448-E452 WeakPolarHBondContact CE-OE1 3.27Å; K448-E452 PolarHBondContact O-N 3.14Å
449	L	98.8	Very high	98.5	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-39.3	-178.7	-179.5	58	0	0	0	111.7	V365 F409 V412 A413 I416 M445 I446 L451 E452 I453	V365-L449 HydrophobicContact CB-CD2 4.23Å; V365-L449 HydrophobicContact CB-CG 4.14Å; V365-L449 HydrophobicContact CG1-CB 4.17Å; V365-L449 HydrophobicContact CG1-CD2 4.04Å; V365-L449 HydrophobicContact CG1-CG 4.15Å; V365-L449 HydrophobicContact CG2-CD2 4.09Å; V365-L449 HydrophobicContact CG2-CG 4.38Å; F409-L449 HydrophobicContact CD1-CD1 3.54Å; F409-L449 HydrophobicContact CE1-CD1 4.1Å; F409-L449 HydrophobicContact CG-CD1 4.42Å; V412-L449 HydrophobicContact CB-CD1 4.4Å; V412-L449 HydrophobicContact CB-CD2 4.07Å; V412-L449 HydrophobicContact CG1-CD1 4.31Å; V412-L449 HydrophobicContact CG1-CD2 3.86Å; A413-L449 HydrophobicContact CB-CD2 3.95Å; I416-L449 HydrophobicContact CD1-CB 4.46Å; I416-L449 HydrophobicContact CD1-CD2 3.85Å; M445-L449 WeakPolarHBondContact O-CB 3.12Å; M445-L449 PolarHBondContact O-N 3.29Å; I446-L449 PolarHBondContact O-N 2.97Å; L449-L451 PolarHBondContact O-N 3.08Å; L449-E452 PolarHBondContact O-N 3.48Å; L449-I453 HydrophobicContact CD1-CD1 3.88Å; L449-I453 HydrophobicContact CD1-CG1 4.22Å; L449-I453 HydrophobicContact CD2-CD1 4.44Å; L449-I453 HydrophobicContact CG-CD1 3.73Å; L449-I453 HydrophobicContact CG-CG1 4.49Å; L449-I453 WeakPolarHBondContact O-CB 3.3Å; L449-I453 VanDerWaalsContact O-CG1 3.3Å; L449-I453 WeakPolarHBondContact O-CG1 3.48Å; L449-I453 PolarHBondContact O-N 2.79Å
450	K	98.8	Very high	98.5	Very high	47 Å²	47	65.5 Å²	65.5	20%	0.204	32%	0.319	C	S	.	.	H	α-helix	trans	-56.4	-49.3	174.6	179.1	-175.9	169.9	-162.1	0	111.3	R366 I446 E447 K448 E452 I453 E454	R366-K450 HydrophobicContact CG-CG 4.02Å; I446-K450 VanDerWaalsContact O-CB 3.26Å; I446-K450 WeakPolarHBondContact O-CB 3.47Å; I446-K450 PolarHBondContact O-N 3.47Å; E447-K450 PolarHBondContact O-N 3.28Å; K448-K450 VanDerWaalsContact C-N 3.33Å; K448-K450 PolarHBondContact O-N 2.87Å; K450-E452 PolarHBondContact O-N 3.14Å; K450-I453 PolarHBondContact O-N 3.05Å; K450-E454 WeakPolarHBondContact CE-OE1 3.47Å; K450-E454 HydrophobicContact CG-CG 4.33Å; K450-E454 WeakPolarHBondContact O-CG 3.38Å; K450-E454 PolarHBondContact O-N 3.23Å
451	L	98.7	Very high	98.5	Very high	96 Å²	96	63 Å²	63	50%	0.503	31%	0.306	S	S	.	.	H	α-helix	trans	-61.7	-42.8	179.6	-70.2	171.1	0	0	0	112.2	E447 K448 L449 I453 E454 E455	E447-L451 WeakPolarHBondContact O-CG 3.45Å; E447-L451 PolarHBondContact O-N 3.4Å; E447-L451 VanDerWaalsContact O-N 3.09Å; K448-L451 PolarHBondContact O-N 2.64Å; L449-L451 PolarHBondContact O-N 3.08Å; L451-I453 VanDerWaalsContact C-N 3.3Å; L451-I453 PolarHBondContact O-N 3.13Å; L451-E454 PolarHBondContact O-N 3.17Å; L451-E455 WeakPolarHBondContact O-CB 3.39Å; L451-E455 PolarHBondContact O-N 3.38Å
452	E	98.8	Very high	98.5	Very high	74 Å²	74	59.8 Å²	59.8	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-39.1	176.4	-69.2	177.3	-164.4	0	0	112	F409 K448 L449 K450 F456	F409-E452 HydrophobicContact CE1-CB 4.01Å; F409-E452 HydrophobicContact CZ-CB 4.33Å; K448-E452 WeakPolarHBondContact CE-OE1 3.27Å; K448-E452 PolarHBondContact O-N 3.14Å; L449-E452 PolarHBondContact O-N 3.48Å; K450-E452 PolarHBondContact O-N 3.14Å; E452-F456 WeakPolarHBondContact O-CB 3.23Å; E452-F456 PolarHBondContact O-N 2.68Å
453	I	98.8	Very high	98.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-70	-46.4	177.6	-72.1	165.3	0	0	0	111.3	L27 V365 R366 I367 F409 L449 K450 L451 E455 F456 A457	L27-I453 HydrophobicContact CD1-CG1 4.42Å; L27-I453 HydrophobicContact CD1-CG2 3.81Å; L27-I453 HydrophobicContact CG-CG2 3.83Å; V365-I453 HydrophobicContact CB-CD1 3.94Å; V365-I453 HydrophobicContact CG2-CD1 3.81Å; V365-I453 WeakPolarHBondContact O-CD1 3.44Å; R366-I453 HydrophobicContact CB-CG2 4.23Å; I367-I453 HydrophobicContact CD1-CD1 3.82Å; I367-I453 HydrophobicContact CG1-CD1 3.94Å; F409-I453 HydrophobicContact CB-CD1 4.05Å; F409-I453 HydrophobicContact CB-CG1 4.1Å; F409-I453 HydrophobicContact CD1-CD1 4.35Å; F409-I453 HydrophobicContact CD1-CG1 3.8Å; F409-I453 HydrophobicContact CD2-CG1 3.77Å; F409-I453 HydrophobicContact CE1-CG1 4Å; F409-I453 HydrophobicContact CE2-CG1 3.98Å; F409-I453 HydrophobicContact CG-CD1 4.14Å; F409-I453 HydrophobicContact CG-CG1 3.65Å; F409-I453 HydrophobicContact CZ-CG1 4.07Å; L449-I453 HydrophobicContact CD1-CD1 3.88Å; L449-I453 HydrophobicContact CD1-CG1 4.22Å; L449-I453 HydrophobicContact CD2-CD1 4.44Å; L449-I453 HydrophobicContact CG-CD1 3.73Å; L449-I453 HydrophobicContact CG-CG1 4.49Å; L449-I453 WeakPolarHBondContact O-CB 3.3Å; L449-I453 VanDerWaalsContact O-CG1 3.3Å; L449-I453 WeakPolarHBondContact O-CG1 3.48Å; L449-I453 PolarHBondContact O-N 2.79Å; K450-I453 PolarHBondContact O-N 3.05Å; L451-I453 VanDerWaalsContact C-N 3.3Å; L451-I453 PolarHBondContact O-N 3.13Å; I453-E455 VanDerWaalsContact C-N 3.31Å; I453-E455 PolarHBondContact O-N 2.73Å; I453-F456 PolarHBondContact O-N 2.79Å; I453-A457 WeakPolarHBondContact O-CB 3.06Å; I453-A457 PolarHBondContact O-N 3.36Å
454	E	98.7	Very high	98.1	Very high	32 Å²	32	55.8 Å²	55.8	15%	0.15	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-42.3	178.6	-69.4	-174.7	164.5	0	0	110.4	L25 R366 K450 L451 S458	L25-E454 HydrophobicContact CB-CB 4.32Å; L25-E454 HydrophobicContact CB-CG 4.03Å; R366-E454 HydrophobicContact CG-CG 3.97Å; R366-E454 IonicContact CZ-OE1 3.02Å; R366-E454 IonicContact NE-OE1 3.27Å; R366-E454 PolarHBondContact NE-OE1 2.94Å; R366-E454 IonicContact NH2-OE1 3.58Å; R366-E454 PolarHBondContact NH2-OE1 2.71Å; K450-E454 WeakPolarHBondContact CE-OE1 3.47Å; K450-E454 HydrophobicContact CG-CG 4.33Å; K450-E454 WeakPolarHBondContact O-CG 3.38Å; K450-E454 PolarHBondContact O-N 3.23Å; L451-E454 PolarHBondContact O-N 3.17Å; E454-S458 VanDerWaalsContact O-CB 3.22Å; E454-S458 WeakPolarHBondContact O-CB 3.49Å; E454-S458 PolarHBondContact O-N 3.34Å; E454-S458 PolarHBondContact O-OG 2.93Å
455	E	98.7	Very high	97.7	Very high	117 Å²	117	54.6 Å²	54.6	55%	0.547	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-46.4	174.6	-165.1	-154.5	131.4	0	0	111.3	L451 I453 S458 K459	L451-E455 WeakPolarHBondContact O-CB 3.39Å; L451-E455 PolarHBondContact O-N 3.38Å; I453-E455 VanDerWaalsContact C-N 3.31Å; I453-E455 PolarHBondContact O-N 2.73Å; E455-S458 PolarHBondContact O-OG 2.99Å; E455-K459 WeakPolarHBondContact O-CE 3.38Å; E455-K459 IonicContact OE1-NZ 2.81Å; E455-K459 PolarHBondContact OE1-NZ 3.27Å
456	F	98.7	Very high	96.9	Very high	27 Å²	27	58.1 Å²	58.1	12%	0.118	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-51.2	178.5	179.1	-111.8	0	0	0	112.2	L27 F398 D402 K405 V406 F409 E452 I453 S458 K459 Y460	L27-F456 HydrophobicContact CD2-CD1 4.25Å; L27-F456 HydrophobicContact CD2-CE1 4.43Å; F398-F456 HydrophobicContact CD1-CE1 4.49Å; F398-F456 HydrophobicContact CE1-CD1 4.43Å; F398-F456 AromaticContact CE1-CE1 3.64Å; F398-F456 HydrophobicContact CE1-CE1 3.64Å; F398-F456 HydrophobicContact CE1-CZ 4.2Å; F398-F456 HydrophobicContact CZ-CE1 4.32Å; D402-F456 HydrophobicContact CB-CZ 4.06Å; K405-F456 HydrophobicContact CB-CE1 4.36Å; K405-F456 HydrophobicContact CB-CE2 4.23Å; K405-F456 HydrophobicContact CB-CZ 3.9Å; K405-F456 HydrophobicContact CG-CD2 4.26Å; K405-F456 HydrophobicContact CG-CE1 4.26Å; K405-F456 HydrophobicContact CG-CE2 4Å; K405-F456 HydrophobicContact CG-CZ 4Å; V406-F456 HydrophobicContact CG2-CE1 4.2Å; F409-F456 HydrophobicContact CD2-CD1 4.36Å; F409-F456 HydrophobicContact CE2-CB 3.89Å; F409-F456 AromaticContact CE2-CD1 3.61Å; F409-F456 HydrophobicContact CE2-CD1 3.61Å; F409-F456 HydrophobicContact CE2-CE1 4.28Å; F409-F456 AromaticContact CE2-CG 3.83Å; F409-F456 HydrophobicContact CE2-CG 3.83Å; F409-F456 HydrophobicContact CZ-CB 4.11Å; F409-F456 HydrophobicContact CZ-CG 4.4Å; E452-F456 WeakPolarHBondContact O-CB 3.23Å; E452-F456 PolarHBondContact O-N 2.68Å; I453-F456 PolarHBondContact O-N 2.79Å; F456-S458 VanDerWaalsContact C-N 3.31Å; F456-S458 PolarHBondContact O-N 2.85Å; F456-K459 WeakPolarHBondContact O-CB 2.9Å; F456-K459 PolarHBondContact O-N 3.39Å; F456-Y460 HydrophobicContact CD2-CE2 4.44Å; F456-Y460 HydrophobicContact CE1-CE2 4.38Å; F456-Y460 HydrophobicContact CE2-CE2 4.09Å; F456-Y460 HydrophobicContact CZ-CE2 4.07Å; F456-Y460 WeakPolarHBondContact O-CD2 3.38Å; F456-Y460 WeakPolarHBondContact O-CE2 3.38Å
457	A	98.6	Very high	95.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-32	-177.9	0	0	0	0	0	112.6	L25 L27 R396 I453 K459 Y460	L25-A457 WeakPolarHBondContact O-CB 3.44Å; L27-A457 HydrophobicContact CD2-CB 4.13Å; R396-A457 PolarHBondContact NH2-O 3.19Å; I453-A457 WeakPolarHBondContact O-CB 3.06Å; I453-A457 PolarHBondContact O-N 3.36Å; A457-K459 PolarHBondContact O-N 2.89Å; A457-K459 VanDerWaalsContact O-N 3.14Å; A457-Y460 PolarHBondContact O-N 3.38Å
458	S	97.7	Very high	95.6	Very high	51 Å²	51	61 Å²	61	36%	0.357	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-21.2	-179.2	74.2	0	0	0	0	114.4	E454 E455 F456 Y460	E454-S458 VanDerWaalsContact O-CB 3.22Å; E454-S458 WeakPolarHBondContact O-CB 3.49Å; E454-S458 PolarHBondContact O-N 3.34Å; E454-S458 PolarHBondContact O-OG 2.93Å; E455-S458 PolarHBondContact O-OG 2.99Å; F456-S458 VanDerWaalsContact C-N 3.31Å; F456-S458 PolarHBondContact O-N 2.85Å; S458-Y460 PolarHBondContact O-N 3.18Å
459	K	98.2	Very high	95.4	Very high	134 Å²	134	57.1 Å²	57.1	58%	0.583	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.4	-178.5	-64.6	167.7	-172.7	171.5	0	112.8	E455 F456 A457	E455-K459 WeakPolarHBondContact O-CE 3.38Å; E455-K459 IonicContact OE1-NZ 2.81Å; E455-K459 PolarHBondContact OE1-NZ 3.27Å; F456-K459 WeakPolarHBondContact O-CB 2.9Å; F456-K459 PolarHBondContact O-N 3.39Å; A457-K459 PolarHBondContact O-N 2.89Å; A457-K459 VanDerWaalsContact O-N 3.14Å
460	Y	98.2	Very high	95.2	Very high	37 Å²	37	59.9 Å²	59.9	15%	0.145	31%	0.308	C	S	.	.	S	Bend	trans	-103.8	143.9	-174.3	-62.1	-94.3	0	0	0	112.1	R396 F398 D402 F456 A457 S458	R396-Y460 PolarHBondContact NH2-O 3.02Å; F398-Y460 AromaticContact CD2-CD1 3.5Å; F398-Y460 HydrophobicContact CD2-CD1 3.5Å; F398-Y460 VanDerWaalsContact CD2-CD1 3.5Å; F398-Y460 HydrophobicContact CD2-CD2 4.23Å; F398-Y460 AromaticContact CD2-CE1 3.88Å; F398-Y460 HydrophobicContact CD2-CE1 3.88Å; F398-Y460 AromaticContact CD2-CG 3.7Å; F398-Y460 HydrophobicContact CD2-CG 3.7Å; F398-Y460 HydrophobicContact CE1-CD2 4.34Å; F398-Y460 HydrophobicContact CE1-CE2 4.17Å; F398-Y460 AromaticContact CE2-CD1 3.51Å; F398-Y460 HydrophobicContact CE2-CD1 3.51Å; F398-Y460 AromaticContact CE2-CD2 3.42Å; F398-Y460 HydrophobicContact CE2-CD2 3.42Å; F398-Y460 VanDerWaalsContact CE2-CD2 3.42Å; F398-Y460 HydrophobicContact CE2-CE1 4.05Å; F398-Y460 AromaticContact CE2-CE2 3.97Å; F398-Y460 HydrophobicContact CE2-CE2 3.97Å; F398-Y460 AromaticContact CE2-CG 3.17Å; F398-Y460 HydrophobicContact CE2-CG 3.17Å; F398-Y460 HydrophobicContact CG-CD1 4.25Å; F398-Y460 HydrophobicContact CG-CE1 4.17Å; F398-Y460 HydrophobicContact CZ-CD1 4.26Å; F398-Y460 AromaticContact CZ-CD2 3.47Å; F398-Y460 HydrophobicContact CZ-CD2 3.47Å; F398-Y460 VanDerWaalsContact CZ-CD2 3.47Å; F398-Y460 HydrophobicContact CZ-CE1 4.46Å; F398-Y460 AromaticContact CZ-CE2 3.73Å; F398-Y460 HydrophobicContact CZ-CE2 3.73Å; F398-Y460 AromaticContact CZ-CG 3.78Å; F398-Y460 HydrophobicContact CZ-CG 3.78Å; D402-Y460 PolarHBondContact OD1-OH 2.91Å; F456-Y460 HydrophobicContact CD2-CE2 4.44Å; F456-Y460 HydrophobicContact CE1-CE2 4.38Å; F456-Y460 HydrophobicContact CE2-CE2 4.09Å; F456-Y460 HydrophobicContact CZ-CE2 4.07Å; F456-Y460 WeakPolarHBondContact O-CD2 3.38Å; F456-Y460 WeakPolarHBondContact O-CE2 3.38Å; A457-Y460 PolarHBondContact O-N 3.38Å; S458-Y460 PolarHBondContact O-N 3.18Å
461	P	97.2	Very high	95	Very high	70 Å²	70	60.7 Å²	60.7	46%	0.455	31%	0.314	S	S	.	.			trans	-61	156.6	176.2	28.3	-36.1	0	0	0	111.6	R396	R396-P461 VanDerWaalsContact CB-O 3.31Å; R396-P461 WeakPolarHBondContact CB-O 3.49Å; R396-P461 WeakPolarHBondContact CG-O 3.36Å; R396-P461 PolarHBondContact NE-O 2.72Å; R396-P461 WeakPolarHBondContact O-CD 3.11Å
462	L	97.4	Very high	94.8	Very high	34 Å²	34	58.5 Å²	58.5	18%	0.178	30%	0.303	C	S	.	.			trans	-118.8	110.2	170.5	-177.9	67.7	0	0	0	108.3	K20 Q23 K24 F35	K20-L462 HydrophobicContact CG-CD2 3.84Å; Q23-L462 HydrophobicContact CB-CD1 4.04Å; Q23-L462 HydrophobicContact CB-CD2 3.93Å; K24-L462 HydrophobicContact CB-CD2 4.13Å; F35-L462 HydrophobicContact CD1-CD1 3.63Å; F35-L462 HydrophobicContact CD2-CD1 4.35Å; F35-L462 HydrophobicContact CE1-CD1 3.52Å; F35-L462 HydrophobicContact CE2-CD1 4.25Å; F35-L462 HydrophobicContact CG-CD1 4.06Å; F35-L462 HydrophobicContact CZ-CD1 3.84Å
463	P	96.4	Very high	94.5	Very high	42 Å²	42	57.5 Å²	57.5	27%	0.273	30%	0.3	S	S	.	.			trans	-60.3	138.8	175	-21.5	32	0	0	0	111.5	F35 S395	F35-P463 HydrophobicContact CB-CB 3.96Å; F35-P463 HydrophobicContact CB-CG 3.94Å; S395-P463 VanDerWaalsContact O-CG 3.24Å; S395-P463 WeakPolarHBondContact O-CG 3.42Å
464	G	94.3	Very high	94.2	Very high	20 Å²	20	61.6 Å²	61.6	21%	0.206	32%	0.321	C	S	.	.	S	Bend	trans	151.2	-158.8	176.2	0	0	0	0	0	113.4	Q38	Q38-G464 WeakPolarHBondContact CB-O 3.34Å
465	L	89.9	Confident	93.9	Very high	54 Å²	54	63.8 Å²	63.8	28%	0.283	33%	0.334	S	S	.	.			trans	-89.2	148.8	173.7	-70.6	164.7	0	0	0	110.8	K20 Q38 L41 Q42 F467	K20-L465 PolarHBondContact NZ-O 2.84Å; Q38-L465 HydrophobicContact CG-CD2 3.64Å; Q38-L465 HydrophobicContact CG-CG 4.34Å; L41-L465 HydrophobicContact CB-CD1 3.86Å; L41-L465 HydrophobicContact CB-CG 4.05Å; L41-L465 HydrophobicContact CD1-CD1 4.19Å; L41-L465 HydrophobicContact CD1-CG 3.95Å; Q42-L465 HydrophobicContact CG-CD2 4.2Å; L465-F467 HydrophobicContact CB-CD1 4.08Å; L465-F467 HydrophobicContact CB-CE1 4.31Å
466	D	81.8	Confident	93.5	Very high	139 Å²	139	59.4 Å²	59.4	74%	0.743	32%	0.317	S	S	*	.			trans	-93	125.2	169.8	-68.1	-37.9	0	0	0	111.2	K20	K20-D466 IonicContact NZ-OD1 2.71Å; K20-D466 PolarHBondContact NZ-OD1 3.07Å
467	F	73.4	Confident	93	Very high	105 Å²	105	62.4 Å²	62.4	46%	0.461	34%	0.335	S	S	.	.			trans	-158.1	0	178.1	56.4	-108.1	0	0	0	111.7	M13 C16 R17 K20 L465	M13-F467 HydrophobicContact CE-CB 3.8Å; M13-F467 HydrophobicContact CE-CD2 4.39Å; M13-F467 HydrophobicContact CE-CG 4.46Å; C16-F467 HydrophobicContact CB-CD2 4.47Å; C16-F467 HydrophobicContact CB-CE2 3.74Å; C16-F467 HydrophobicContact CB-CZ 4.09Å; C16-F467 WeakPolarHBondContact O-CE2 3.29Å; R17-F467 HydrophobicContact CG-CD2 4.07Å; R17-F467 HydrophobicContact CG-CE2 4.31Å; R17-F467 PolarHBondContact NE-OXT 3.3Å; R17-F467 VanDerWaalsContact NE-OXT 3.13Å; R17-F467 PolarHBondContact NH2-OXT 2.75Å; R17-F467 VanDerWaalsContact NH2-OXT 3.1Å; K20-F467 HydrophobicContact CB-CE2 4.21Å; K20-F467 HydrophobicContact CB-CZ 4.27Å; K20-F467 HydrophobicContact CD-CE2 4.07Å; K20-F467 HydrophobicContact CD-CZ 4.07Å; L465-F467 HydrophobicContact CB-CD1 4.08Å; L465-F467 HydrophobicContact CB-CE1 4.31Å

Retrieved 467 of 467 residues in 198 ms (Link to these results)

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