A0A061IDS5_CRIGR Loading...

Esterase, SGNH hydrolase-type, subgroup containing protein

AlphaFold DB , UniProt , Accession A0A061IDS5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pced1b, Length 432 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	68.8	Low	91.6	Very high	85 Å²	85	52.1 Å²	52.1	42%	0.419	26%	0.26	S	S	.	.				0	129.9	0	-176.2	167.8	-71.7	0	0	109	R242 Y245 L246 R391	M1-R242 HydrophobicContact CE-CG 3.41Å; M1-R242 VanDerWaalsContact CE-CG 3.41Å; M1-R242 HydrophobicContact SD-CB 4.28Å; M1-R242 HydrophobicContact SD-CG 3.55Å; M1-R242 VanDerWaalsContact SD-CG 3.55Å; M1-Y245 HydrophobicContact SD-CD2 4.32Å; M1-L246 HydrophobicContact CE-CD1 4.1Å; M1-L246 HydrophobicContact CE-CD2 3.49Å; M1-L246 VanDerWaalsContact CE-CD2 3.49Å; M1-L246 HydrophobicContact CE-CG 3.52Å; M1-R391 VanDerWaalsContact C-NH1 3.32Å; M1-R391 VanDerWaalsContact N-CZ 3.3Å; M1-R391 PolarHBondContact O-NH1 3.5Å; M1-R391 PolarHBondContact O-NH2 2.87Å
2	V	80.4	Confident	92.2	Very high	34 Å²	34	49.2 Å²	49.2	21%	0.206	25%	0.246	C	C	.	.			trans	-78.7	129.9	173.3	-179.8	0	0	0	0	107.4	L4 L259 P260	V2-L4 HydrophobicContact CG1-CD2 3.97Å; V2-L259 HydrophobicContact CB-CD1 4.25Å; V2-L259 HydrophobicContact CG1-CB 4.18Å; V2-L259 HydrophobicContact CG1-CD1 4.36Å; V2-L259 HydrophobicContact CG2-CD1 4.4Å; V2-P260 HydrophobicContact CG1-CG 4.35Å
3	R	87.5	Confident	92.7	Very high	104 Å²	104	45.7 Å²	45.7	39%	0.392	23%	0.228	S	C	.	.			trans	-89.4	138.3	169.5	-58.8	-172.7	-170.8	-163.8	15.9	107.3	Y245 R262 D268 W272	R3-Y245 HydrophobicContact CB-CE2 3.91Å; R3-Y245 HydrophobicContact CG-CE2 4.01Å; R3-R262 PolarHBondContact O-NH1 2.65Å; R3-D268 IonicContact CZ-OD1 2.99Å; R3-D268 IonicContact CZ-OD2 3.34Å; R3-D268 IonicContact NE-OD1 3.77Å; R3-D268 IonicContact NH1-OD1 2.71Å; R3-D268 PolarHBondContact NH1-OD1 3.03Å; R3-D268 IonicContact NH1-OD2 2.62Å; R3-D268 PolarHBondContact NH1-OD2 3.27Å; R3-D268 IonicContact NH2-OD1 3.08Å; R3-D268 PolarHBondContact NH2-OD1 3.46Å; R3-D268 VanDerWaalsContact NH2-OD1 3.08Å; R3-D268 IonicContact NH2-OD2 3.02Å; R3-D268 PolarHBondContact NH2-OD2 3.31Å; R3-W272 HydrophobicContact CB-CH2 4.06Å
4	L	91.8	Very high	93	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.233	C	C	.	.			trans	-114.7	139.5	177.9	-59.2	172.9	0	0	0	110.2	V2 E8 V9 Y245 L248 L259 P260	V2-L4 HydrophobicContact CG1-CD2 3.97Å; L4-E8 WeakPolarHBondContact CA-OE2 3.35Å; L4-E8 HydrophobicContact CD2-CB 4.5Å; L4-V9 HydrophobicContact CB-CG2 3.75Å; L4-V9 HydrophobicContact CD1-CG2 4.27Å; L4-Y245 HydrophobicContact CB-CD1 4.17Å; L4-Y245 HydrophobicContact CB-CE1 3.82Å; L4-Y245 HydrophobicContact CG-CD1 4.35Å; L4-Y245 HydrophobicContact CG-CE1 4.47Å; L4-Y245 WeakPolarHBondContact O-CE1 3.37Å; L4-Y245 PolarHBondContact O-OH 3.03Å; L4-L248 HydrophobicContact CD1-CB 3.6Å; L4-L248 HydrophobicContact CD1-CD1 4.06Å; L4-L248 HydrophobicContact CD1-CG 4.41Å; L4-L259 HydrophobicContact CD1-CD2 4.28Å; L4-L259 HydrophobicContact CD2-CD2 3.91Å; L4-P260 HydrophobicContact CD2-CG 3.76Å
5	L	95.4	Very high	93.3	Very high	39 Å²	39	50.4 Å²	50.4	20%	0.204	25%	0.253	C	S	.	.			trans	-83.5	161	170.4	-62.6	176.9	0	0	0	110.8	S7 E8 V9 D40 R262 P269 W272	L5-S7 VanDerWaalsContact C-N 3.29Å; L5-S7 PolarHBondContact O-N 3.32Å; L5-E8 HydrophobicContact CB-CG 4.35Å; L5-E8 PolarHBondContact N-OE2 3.38Å; L5-E8 WeakPolarHBondContact O-CB 3.42Å; L5-E8 PolarHBondContact O-N 3.41Å; L5-V9 WeakPolarHBondContact O-CG2 3.45Å; L5-V9 PolarHBondContact O-N 3.4Å; L5-D40 WeakPolarHBondContact CA-OD1 3.45Å; L5-R262 VanDerWaalsContact CG-NH2 3.34Å; L5-P269 HydrophobicContact CD2-CG 4.4Å; L5-W272 HydrophobicContact CD2-CH2 4.41Å
6	A	96.6	Very high	93.6	Very high	6 Å²	6	50.1 Å²	50.1	5%	0.05	25%	0.249	C	C	.	.	H	α-helix	trans	-55.3	-43.5	179.2	0	0	0	0	0	112.2	E8 V9 Q10 L36 D40	A6-E8 VanDerWaalsContact C-N 3.29Å; A6-E8 PolarHBondContact O-N 3.33Å; A6-V9 PolarHBondContact O-N 3.09Å; A6-Q10 WeakPolarHBondContact O-CB 3.34Å; A6-Q10 VanDerWaalsContact O-CG 3.23Å; A6-Q10 WeakPolarHBondContact O-CG 3.44Å; A6-Q10 PolarHBondContact O-N 3.36Å; A6-L36 WeakPolarHBondContact CA-O 3.4Å; A6-L36 WeakPolarHBondContact CB-O 3.3Å; A6-D40 PolarHBondContact N-OD1 2.82Å
7	S	96.9	Very high	93.9	Very high	70 Å²	70	47.9 Å²	47.9	49%	0.49	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-35.2	177.3	55.5	0	0	0	0	113.3	L5 Q11	L5-S7 VanDerWaalsContact C-N 3.29Å; L5-S7 PolarHBondContact O-N 3.32Å; S7-Q11 WeakPolarHBondContact O-CB 3.4Å; S7-Q11 PolarHBondContact O-N 3.01Å
8	E	96.9	Very high	94.2	Very high	46 Å²	46	45.3 Å²	45.3	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-75.4	-36.3	178.8	-61.7	166.4	157.5	0	0	111	L4 L5 A6 Q11 L12 P260 R262	L4-E8 WeakPolarHBondContact CA-OE2 3.35Å; L4-E8 HydrophobicContact CD2-CB 4.5Å; L5-E8 HydrophobicContact CB-CG 4.35Å; L5-E8 PolarHBondContact N-OE2 3.38Å; L5-E8 WeakPolarHBondContact O-CB 3.42Å; L5-E8 PolarHBondContact O-N 3.41Å; A6-E8 VanDerWaalsContact C-N 3.29Å; A6-E8 PolarHBondContact O-N 3.33Å; E8-Q11 PolarHBondContact O-N 3.42Å; E8-L12 VanDerWaalsContact O-CB 3.28Å; E8-L12 WeakPolarHBondContact O-CB 3.25Å; E8-L12 PolarHBondContact O-N 3.25Å; E8-P260 WeakPolarHBondContact OE1-CB 3.37Å; E8-P260 VanDerWaalsContact OE1-CG 3.3Å; E8-P260 WeakPolarHBondContact OE1-CG 3.45Å; E8-R262 VanDerWaalsContact CD-NH2 3.31Å; E8-R262 IonicContact OE1-CZ 3.41Å; E8-R262 IonicContact OE1-NH1 3.33Å; E8-R262 PolarHBondContact OE1-NH1 3.47Å; E8-R262 IonicContact OE1-NH2 2.7Å; E8-R262 PolarHBondContact OE1-NH2 3.02Å; E8-R262 IonicContact OE2-CZ 3.48Å; E8-R262 IonicContact OE2-NH1 2.74Å; E8-R262 PolarHBondContact OE2-NH1 3Å; E8-R262 IonicContact OE2-NH2 3.27Å; E8-R262 PolarHBondContact OE2-NH2 2.66Å
9	V	97.9	Very high	94.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-42.7	174.5	177.8	0	0	0	0	111.1	L4 L5 A6 Q11 L12 L13 L36 L37 L248	L4-V9 HydrophobicContact CB-CG2 3.75Å; L4-V9 HydrophobicContact CD1-CG2 4.27Å; L5-V9 WeakPolarHBondContact O-CG2 3.45Å; L5-V9 PolarHBondContact O-N 3.4Å; A6-V9 PolarHBondContact O-N 3.09Å; V9-Q11 VanDerWaalsContact C-N 3.34Å; V9-Q11 PolarHBondContact O-N 2.87Å; V9-L12 PolarHBondContact O-N 3.44Å; V9-L13 HydrophobicContact CG1-CD1 3.94Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CB 3.14Å; V9-L13 WeakPolarHBondContact O-CG 3.15Å; V9-L13 PolarHBondContact O-N 3.42Å; V9-L36 HydrophobicContact CB-CG 4.36Å; V9-L36 HydrophobicContact CG1-CG 4.45Å; V9-L36 HydrophobicContact CG2-CD2 3.78Å; V9-L36 HydrophobicContact CG2-CG 3.89Å; V9-L37 HydrophobicContact CG1-CD2 3.99Å; V9-L37 HydrophobicContact CG1-CG 4.29Å; V9-L248 HydrophobicContact CG1-CD1 4.2Å; V9-L248 HydrophobicContact CG1-CD2 3.99Å; V9-L248 HydrophobicContact CG2-CD1 3.73Å
10	Q	98.1	Very high	94.7	Very high	73 Å²	73	40.8 Å²	40.8	34%	0.341	20%	0.202	S	C	.	.	H	α-helix	trans	-56.6	-48.8	171.9	-73.8	169.5	-13.9	0	0	110.6	A6 L12 L13 H14 L37 H87	A6-Q10 WeakPolarHBondContact O-CB 3.34Å; A6-Q10 VanDerWaalsContact O-CG 3.23Å; A6-Q10 WeakPolarHBondContact O-CG 3.44Å; A6-Q10 PolarHBondContact O-N 3.36Å; Q10-L12 PolarHBondContact O-N 3.38Å; Q10-L13 CarbonylContact O-C 3.53Å; Q10-L13 PolarHBondContact O-N 2.94Å; Q10-H14 WeakPolarHBondContact O-CA 3.23Å; Q10-H14 WeakPolarHBondContact O-CB 3.39Å; Q10-H14 PolarHBondContact O-N 2.95Å; Q10-L37 HydrophobicContact CG-CD2 4.27Å; Q10-L37 WeakPolarHBondContact CG-O 3.46Å; Q10-L37 PolarHBondContact NE2-O 3.17Å; Q10-H87 WeakPolarHBondContact CA-NE2 3.28Å; Q10-H87 PolarHBondContact O-NE2 3.32Å
11	Q	97.9	Very high	94.9	Very high	114 Å²	114	38.8 Å²	38.8	53%	0.533	19%	0.193	S	C	.	.	H	α-helix	trans	-63.4	-42.2	179	-174.5	59.5	37.4	0	0	112.5	S7 E8 V9 L13 H14	S7-Q11 WeakPolarHBondContact O-CB 3.4Å; S7-Q11 PolarHBondContact O-N 3.01Å; E8-Q11 PolarHBondContact O-N 3.42Å; V9-Q11 VanDerWaalsContact C-N 3.34Å; V9-Q11 PolarHBondContact O-N 2.87Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; Q11-H14 WeakPolarHBondContact O-CB 3.46Å; Q11-H14 PolarHBondContact O-N 2.99Å
12	L	98.1	Very high	96.2	Very high	17 Å²	17	34.8 Å²	34.8	9%	0.089	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-39.3	179.1	178	61.8	0	0	0	111.9	E8 V9 Q10 L248 A252 W255 V257	E8-L12 VanDerWaalsContact O-CB 3.28Å; E8-L12 WeakPolarHBondContact O-CB 3.25Å; E8-L12 PolarHBondContact O-N 3.25Å; V9-L12 PolarHBondContact O-N 3.44Å; Q10-L12 PolarHBondContact O-N 3.38Å; L12-L248 HydrophobicContact CD2-CB 4.21Å; L12-L248 HydrophobicContact CD2-CD2 4.08Å; L12-L248 WeakPolarHBondContact CD2-O 3.16Å; L12-A252 HydrophobicContact CD1-CB 3.84Å; L12-A252 HydrophobicContact CD2-CB 4.08Å; L12-W255 HydrophobicContact CD1-CE3 3.77Å; L12-W255 HydrophobicContact CD1-CZ3 4.01Å; L12-W255 HydrophobicContact CG-CE3 4.45Å; L12-W255 HydrophobicContact CG-CZ3 4.19Å; L12-W255 WeakPolarHBondContact O-CZ3 3.37Å; L12-V257 HydrophobicContact CD1-CB 4.13Å; L12-V257 HydrophobicContact CD1-CG1 4.13Å; L12-V257 HydrophobicContact CD1-CG2 4.2Å
13	L	98.3	Very high	97	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	13.1	-177.7	-59.9	-177.3	0	0	0	113.3	V9 Q10 Q11 N15 K16 V18 L37 H87 L248 M251 W255	V9-L13 HydrophobicContact CG1-CD1 3.94Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CB 3.14Å; V9-L13 WeakPolarHBondContact O-CG 3.15Å; V9-L13 PolarHBondContact O-N 3.42Å; Q10-L13 CarbonylContact O-C 3.53Å; Q10-L13 PolarHBondContact O-N 2.94Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; L13-N15 PolarHBondContact O-N 3.45Å; L13-K16 HydrophobicContact CB-CB 4.43Å; L13-K16 WeakPolarHBondContact O-CB 3.11Å; L13-K16 WeakPolarHBondContact O-CG 3.47Å; L13-K16 PolarHBondContact O-N 3.45Å; L13-V18 HydrophobicContact CD1-CG2 4.46Å; L13-V18 HydrophobicContact CD2-CG2 4.09Å; L13-L37 HydrophobicContact CB-CD2 4.34Å; L13-L37 HydrophobicContact CD1-CD2 4.17Å; L13-H87 PolarHBondContact O-CD2 2.86Å; L13-H87 VanDerWaalsContact O-CD2 3.29Å; L13-L248 HydrophobicContact CD1-CD2 3.97Å; L13-L248 HydrophobicContact CD2-CD2 4.41Å; L13-L248 HydrophobicContact CG-CD2 4.26Å; L13-M251 HydrophobicContact CD2-SD 4.06Å; L13-W255 HydrophobicContact CD2-CH2 4.03Å; L13-W255 HydrophobicContact CD2-CZ3 4.02Å
14	H	98.1	Very high	97.4	Very high	62 Å²	62	29.3 Å²	29.3	29%	0.287	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	126.4	-178.2	-175.5	-80.4	0	0	0	111.6	Q10 Q11 K16 H86	Q10-H14 WeakPolarHBondContact O-CA 3.23Å; Q10-H14 WeakPolarHBondContact O-CB 3.39Å; Q10-H14 PolarHBondContact O-N 2.95Å; Q11-H14 WeakPolarHBondContact O-CB 3.46Å; Q11-H14 PolarHBondContact O-N 2.99Å; H14-K16 PolarHBondContact O-N 3.21Å; H14-H86 AromaticContact CD2-CG 3.79Å; H14-H86 AromaticContact CE1-ND1 3.84Å; H14-H86 AromaticContact NE2-CD2 3.73Å; H14-H86 AromaticContact NE2-CE1 3.86Å; H14-H86 AromaticContact NE2-CG 3.37Å; H14-H86 AromaticContact NE2-ND1 3.46Å; H14-H86 PolarHBondContact NE2-ND1 3.34Å
15	N	97.6	Very high	97.6	Very high	100 Å²	100	29.9 Å²	29.9	54%	0.535	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	38	-170.9	-63.8	-20.4	0	0	0	113.2	L13 H86	L13-N15 PolarHBondContact O-N 3.45Å; N15-H86 WeakPolarHBondContact CA-O 3.42Å; N15-H86 PolarHBondContact N-O 2.87Å; N15-H86 PolarHBondContact OD1-ND1 3.25Å
16	K	97.9	Very high	97.7	Very high	45 Å²	45	28.1 Å²	28.1	20%	0.196	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.7	175.8	-60.3	-57	-173.2	-172.7	0	112.4	L13 H14 V18 L88 D117 W255	L13-K16 HydrophobicContact CB-CB 4.43Å; L13-K16 WeakPolarHBondContact O-CB 3.11Å; L13-K16 WeakPolarHBondContact O-CG 3.47Å; L13-K16 PolarHBondContact O-N 3.45Å; H14-K16 PolarHBondContact O-N 3.21Å; K16-V18 HydrophobicContact CB-CG2 4.49Å; K16-L88 PolarHBondContact O-N 3.02Å; K16-L88 VanDerWaalsContact O-N 3.15Å; K16-D117 WeakPolarHBondContact CA-OD2 3.39Å; K16-D117 HydrophobicContact CB-CB 4.45Å; K16-D117 HydrophobicContact CD-CB 3.84Å; K16-D117 VanDerWaalsContact CD-CG 3.41Å; K16-D117 WeakPolarHBondContact CD-OD1 3.24Å; K16-D117 IonicContact NZ-OD1 3.65Å; K16-D117 PolarHBondContact NZ-OD1 2.89Å; K16-W255 HydrophobicContact CD-CH2 4.1Å; K16-W255 HydrophobicContact CD-CZ2 4.28Å; K16-W255 HydrophobicContact CG-CH2 3.89Å; K16-W255 HydrophobicContact CG-CZ3 4.31Å
17	Y	98.4	Very high	97.8	Very high	13 Å²	13	28.6 Å²	28.6	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.7	166.2	-178.4	-162.2	0	0	0	110.3	V19 L88 R90 L109 P116 D117 V118	Y17-V19 HydrophobicContact CD2-CG2 3.98Å; Y17-V19 HydrophobicContact CE1-CG2 4.02Å; Y17-V19 HydrophobicContact CE2-CG2 3.34Å; Y17-V19 WeakPolarHBondContact OH-CG2 3.48Å; Y17-L88 CarbonylContact C-O 3.58Å; Y17-L88 WeakPolarHBondContact CA-O 3.25Å; Y17-L88 HydrophobicContact CD1-CD2 4.17Å; Y17-L88 HydrophobicContact CD2-CB 3.95Å; Y17-L88 HydrophobicContact CD2-CD2 3.51Å; Y17-L88 HydrophobicContact CD2-CG 3.46Å; Y17-L88 VanDerWaalsContact CD2-CG 3.46Å; Y17-L88 HydrophobicContact CE1-CD2 4.35Å; Y17-L88 HydrophobicContact CE2-CD2 3.71Å; Y17-L88 HydrophobicContact CE2-CG 3.72Å; Y17-L88 HydrophobicContact CG-CB 4.44Å; Y17-L88 HydrophobicContact CG-CD2 3.77Å; Y17-L88 HydrophobicContact CG-CG 4.15Å; Y17-R90 HydrophobicContact CE2-CB 3.83Å; Y17-R90 PolarHBondContact OH-NH1 3.08Å; Y17-L109 HydrophobicContact CE1-CD2 4.33Å; Y17-P116 HydrophobicContact CD1-CB 4.08Å; Y17-P116 HydrophobicContact CE1-CB 4.29Å; Y17-D117 PolarHBondContact N-OD2 3.15Å; Y17-D117 PolarHBondContact O-N 3.42Å; Y17-V118 PolarHBondContact O-N 3.43Å
18	V	98.8	Very high	97.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.8	178.2	-178.4	0	0	0	0	110	L13 K16 V20 L88 V89 R90 V118 I120	L13-V18 HydrophobicContact CD1-CG2 4.46Å; L13-V18 HydrophobicContact CD2-CG2 4.09Å; K16-V18 HydrophobicContact CB-CG2 4.49Å; V18-V20 HydrophobicContact CG1-CG2 4.49Å; V18-L88 PolarHBondContact N-O 2.69Å; V18-V89 HydrophobicContact CB-CG1 4.24Å; V18-V89 HydrophobicContact CB-CG2 4.35Å; V18-V89 HydrophobicContact CG1-CG1 4.36Å; V18-V89 CarbonylContact O-C 3.57Å; V18-V89 VanDerWaalsContact O-CA 3.24Å; V18-V89 WeakPolarHBondContact O-CA 3.22Å; V18-R90 PolarHBondContact O-N 2.74Å; V18-V118 HydrophobicContact CG1-CB 4.49Å; V18-V118 HydrophobicContact CG2-CB 4.47Å; V18-I120 HydrophobicContact CG1-CD1 3.79Å
19	V	98.9	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.2	177.1	177.1	0	0	0	0	109.9	Y17 L21 R90 Y92 L109 P116 V118 I119 I120	Y17-V19 HydrophobicContact CD2-CG2 3.98Å; Y17-V19 HydrophobicContact CE1-CG2 4.02Å; Y17-V19 HydrophobicContact CE2-CG2 3.34Å; Y17-V19 WeakPolarHBondContact OH-CG2 3.48Å; V19-L21 HydrophobicContact CG1-CD2 4.02Å; V19-L21 HydrophobicContact CG1-CG 4.02Å; V19-R90 CarbonylContact C-O 3.57Å; V19-R90 WeakPolarHBondContact CA-O 3.35Å; V19-Y92 HydrophobicContact CG1-CD2 3.95Å; V19-Y92 HydrophobicContact CG1-CE2 3.83Å; V19-L109 HydrophobicContact CG1-CD2 4.44Å; V19-L109 HydrophobicContact CG2-CD2 3.89Å; V19-P116 HydrophobicContact CG2-CB 3.86Å; V19-V118 PolarHBondContact N-O 2.96Å; V19-I119 HydrophobicContact CB-CD1 3.64Å; V19-I119 HydrophobicContact CG1-CD1 3.73Å; V19-I119 HydrophobicContact CG2-CD1 4.33Å; V19-I119 CarbonylContact O-C 3.59Å; V19-I119 WeakPolarHBondContact O-CA 3.49Å; V19-I120 PolarHBondContact O-N 2.93Å
20	V	98.9	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.4	177.8	-173.6	0	0	0	0	109.5	V18 H26 L33 V89 R90 F91 Y92 I120	V18-V20 HydrophobicContact CG1-CG2 4.49Å; V20-H26 HydrophobicContact CG1-CB 4.03Å; V20-L33 HydrophobicContact CG2-CD1 4.44Å; V20-V89 HydrophobicContact CG2-CG1 4.48Å; V20-R90 PolarHBondContact N-O 3.33Å; V20-F91 HydrophobicContact CB-CD2 4.1Å; V20-F91 HydrophobicContact CG1-CD2 4.02Å; V20-F91 CarbonylContact O-C 3.59Å; V20-F91 VanDerWaalsContact O-CA 3.29Å; V20-F91 WeakPolarHBondContact O-CA 3.39Å; V20-F91 WeakPolarHBondContact O-CD2 3.12Å; V20-Y92 PolarHBondContact O-N 3.27Å; V20-I120 CarbonylContact C-O 3.57Å; V20-I120 WeakPolarHBondContact CA-O 3.28Å; V20-I120 HydrophobicContact CG2-CB 4.48Å; V20-I120 HydrophobicContact CG2-CD1 4.02Å
21	L	98.8	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.1	-177.7	-63.2	173.7	0	0	0	109.2	V19 Y92 L94 M102 V105 I119 I120 M121 N122 M150	V19-L21 HydrophobicContact CG1-CD2 4.02Å; V19-L21 HydrophobicContact CG1-CG 4.02Å; L21-Y92 HydrophobicContact CD2-CD2 3.52Å; L21-Y92 HydrophobicContact CD2-CE2 4.43Å; L21-Y92 HydrophobicContact CD2-CG 3.89Å; L21-L94 HydrophobicContact CB-CD1 3.87Å; L21-M102 HydrophobicContact CD1-CE 4.05Å; L21-M102 HydrophobicContact CD2-CE 4.44Å; L21-V105 HydrophobicContact CD2-CG1 4.12Å; L21-I119 HydrophobicContact CD1-CD1 4.15Å; L21-I119 HydrophobicContact CD1-CG2 3.91Å; L21-I120 PolarHBondContact N-O 2.75Å; L21-M121 HydrophobicContact CB-CB 4.06Å; L21-M121 HydrophobicContact CB-CE 4.48Å; L21-M121 HydrophobicContact CB-CG 3.74Å; L21-M121 HydrophobicContact CB-SD 4.2Å; L21-M121 HydrophobicContact CD1-CB 4.47Å; L21-M121 HydrophobicContact CD1-CE 4.45Å; L21-M121 HydrophobicContact CD1-CG 4.3Å; L21-M121 HydrophobicContact CD1-SD 3.78Å; L21-M121 VanDerWaalsContact O-CA 3.3Å; L21-M121 WeakPolarHBondContact O-CA 3.35Å; L21-N122 PolarHBondContact O-N 3.21Å; L21-M150 HydrophobicContact CD1-CE 3.82Å
22	G	98	Very high	98	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.4	-161.4	173.1	0	0	0	0	0	115.1	Y92 F93 L94 N122	G22-Y92 PolarHBondContact N-O 2.7Å; G22-Y92 VanDerWaalsContact N-O 3.15Å; G22-F93 CarbonylContact O-C 3.54Å; G22-F93 VanDerWaalsContact O-CA 3.27Å; G22-F93 WeakPolarHBondContact O-CA 3.5Å; G22-L94 PolarHBondContact O-N 3.09Å; G22-N122 WeakPolarHBondContact CA-O 3.44Å
23	D	95.9	Very high	98.1	Very high	8 Å²	8	13.8 Å²	13.8	4%	0.043	7%	0.069	C	C	.	.	S	Bend	trans	-87.5	-158.9	-176.8	67.1	24	0	0	0	112.5	V25 H26 R27 F93	D23-V25 PolarHBondContact O-N 2.81Å; D23-V25 WeakPolarHBondContact OD1-CB 3.4Å; D23-V25 PolarHBondContact OD1-N 2.8Å; D23-H26 CarbonylContact O-C 3.53Å; D23-H26 PolarHBondContact O-N 2.71Å; D23-H26 VanDerWaalsContact O-N 3.09Å; D23-R27 PolarHBondContact O-N 3.28Å; D23-F93 HydrophobicContact CB-CZ 4.32Å
24	S	95.4	Very high	98.1	Very high	15 Å²	15	13.6 Å²	13.6	11%	0.105	7%	0.068	C	C	.	.	H	α-helix	trans	-64.3	-24.7	-179.7	47.5	0	0	0	0	114.1	R27 A28 F93 H234	S24-R27 VanDerWaalsContact CB-NH2 3.3Å; S24-A28 PolarHBondContact O-N 3.46Å; S24-F93 VanDerWaalsContact N-CE2 3.33Å; S24-H234 VanDerWaalsContact CB-NE2 3.32Å; S24-H234 WeakPolarHBondContact CB-NE2 3.35Å; S24-H234 PolarHBondContact OG-NE2 3.34Å
25	V	96.8	Very high	98.1	Very high	14 Å²	14	10.6 Å²	10.6	9%	0.085	6%	0.055	C	C	.	.	H	α-helix	trans	-67.7	-42.7	172.3	178.6	0	0	0	0	109.2	D23 A28 V29 M166 H240	D23-V25 PolarHBondContact O-N 2.81Å; D23-V25 WeakPolarHBondContact OD1-CB 3.4Å; D23-V25 PolarHBondContact OD1-N 2.8Å; V25-A28 WeakPolarHBondContact O-CB 3.47Å; V25-A28 PolarHBondContact O-N 2.8Å; V25-V29 PolarHBondContact O-N 3.4Å; V25-V29 VanDerWaalsContact O-N 3.12Å; V25-M166 HydrophobicContact CG1-SD 3.77Å; V25-H240 PolarHBondContact O-CE1 3.04Å; V25-H240 VanDerWaalsContact O-CE1 3.23Å
26	H	98	Very high	98.1	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.009	3%	0.029	C	C	.	.	H	α-helix	trans	-75.2	-26.8	177.5	-81	52.5	0	0	0	113.2	V20 D23 A28 V29 Y30 F91 N122 N163	V20-H26 HydrophobicContact CG1-CB 4.03Å; D23-H26 CarbonylContact O-C 3.53Å; D23-H26 PolarHBondContact O-N 2.71Å; D23-H26 VanDerWaalsContact O-N 3.09Å; H26-A28 VanDerWaalsContact C-N 3.27Å; H26-A28 PolarHBondContact O-N 3.02Å; H26-V29 WeakPolarHBondContact O-CB 3.23Å; H26-V29 PolarHBondContact O-N 2.92Å; H26-Y30 PolarHBondContact O-N 3.48Å; H26-F91 HydrophobicContact CB-CE2 4.43Å; H26-N122 WeakPolarHBondContact CE1-CB 3.31Å; H26-N122 VanDerWaalsContact NE2-CB 3.26Å; H26-N122 WeakPolarHBondContact NE2-CB 3.46Å; H26-N122 PolarHBondContact NE2-N 3.15Å; H26-N163 PolarHBondContact NE2-ND2 3.3Å
27	R	98.3	Very high	98.1	Very high	17 Å²	17	4 Å²	4	6%	0.064	2%	0.021	C	C	.	.	H	α-helix	trans	-58	-43.2	165.6	-174.4	172.4	57.8	-121.9	-10.8	110.9	D23 S24 V29 Y30 K31 K51 E78 F91	D23-R27 PolarHBondContact O-N 3.28Å; S24-R27 VanDerWaalsContact CB-NH2 3.3Å; R27-V29 VanDerWaalsContact C-N 3.34Å; R27-Y30 WeakPolarHBondContact O-CB 3.37Å; R27-Y30 PolarHBondContact O-N 3.49Å; R27-K31 HydrophobicContact CG-CD 4.21Å; R27-K31 VanDerWaalsContact O-CG 3.31Å; R27-K31 WeakPolarHBondContact O-CG 3.3Å; R27-K31 PolarHBondContact O-N 3.23Å; R27-K51 VanDerWaalsContact CZ-CB 3.45Å; R27-E78 VanDerWaalsContact CD-OE1 3.32Å; R27-E78 WeakPolarHBondContact CD-OE1 3.45Å; R27-E78 WeakPolarHBondContact CD-OE2 3.45Å; R27-E78 IonicContact CZ-OE2 2.7Å; R27-E78 IonicContact NE-OE2 3.22Å; R27-E78 IonicContact NH1-OE2 3.09Å; R27-E78 PolarHBondContact NH1-OE2 2.83Å; R27-F91 HydrophobicContact CB-CE1 3.84Å; R27-F91 HydrophobicContact CB-CE2 4.08Å; R27-F91 HydrophobicContact CB-CZ 3.54Å; R27-F91 HydrophobicContact CG-CD1 4.39Å; R27-F91 HydrophobicContact CG-CE1 3.88Å; R27-F91 HydrophobicContact CG-CZ 4.13Å
28	A	98.3	Very high	98	Very high	5 Å²	5	5.7 Å²	5.7	4%	0.041	3%	0.03	C	C	.	.	H	α-helix	trans	-68.4	-31.9	176.6	0	0	0	0	0	112.8	S24 V25 H26 K31 D32 L48 H240	S24-A28 PolarHBondContact O-N 3.46Å; V25-A28 WeakPolarHBondContact O-CB 3.47Å; V25-A28 PolarHBondContact O-N 2.8Å; H26-A28 VanDerWaalsContact C-N 3.27Å; H26-A28 PolarHBondContact O-N 3.02Å; A28-K31 PolarHBondContact O-N 3Å; A28-D32 WeakPolarHBondContact O-CB 3.22Å; A28-D32 PolarHBondContact O-N 3.47Å; A28-L48 HydrophobicContact CB-CD2 3.76Å; A28-H240 WeakPolarHBondContact CB-CE1 3.27Å
29	V	98.3	Very high	97.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62	-48.2	169.6	177	0	0	0	0	111.1	V25 H26 R27 K31 D32 L33 L243 L247	V25-V29 PolarHBondContact O-N 3.4Å; V25-V29 VanDerWaalsContact O-N 3.12Å; H26-V29 WeakPolarHBondContact O-CB 3.23Å; H26-V29 PolarHBondContact O-N 2.92Å; R27-V29 VanDerWaalsContact C-N 3.34Å; V29-K31 PolarHBondContact O-N 3.33Å; V29-D32 PolarHBondContact O-N 3.34Å; V29-L33 HydrophobicContact CG1-CD1 4.23Å; V29-L33 WeakPolarHBondContact O-CG 3.16Å; V29-L33 PolarHBondContact O-N 3.45Å; V29-L243 HydrophobicContact CB-CD2 4.45Å; V29-L243 HydrophobicContact CG1-CD2 3.98Å; V29-L243 HydrophobicContact CG2-CD1 3.62Å; V29-L243 HydrophobicContact CG2-CD2 3.55Å; V29-L243 HydrophobicContact CG2-CG 4.15Å; V29-L247 HydrophobicContact CG1-CD1 3.74Å
30	Y	98.8	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-56.3	-50.3	175.1	163.7	-95.5	0	0	0	111.4	H26 R27 D32 L33 V34 D59 R80 E81 F82 V89 F91	H26-Y30 PolarHBondContact O-N 3.48Å; R27-Y30 WeakPolarHBondContact O-CB 3.37Å; R27-Y30 PolarHBondContact O-N 3.49Å; Y30-D32 VanDerWaalsContact C-N 3.3Å; Y30-D32 PolarHBondContact O-N 2.86Å; Y30-L33 PolarHBondContact O-N 2.83Å; Y30-V34 HydrophobicContact CD2-CG2 4.14Å; Y30-V34 HydrophobicContact CE1-CG2 4.07Å; Y30-V34 HydrophobicContact CE2-CG2 3.69Å; Y30-V34 WeakPolarHBondContact O-CG2 3.5Å; Y30-V34 PolarHBondContact O-N 3.05Å; Y30-D59 WeakPolarHBondContact CE1-OD2 3.31Å; Y30-D59 WeakPolarHBondContact OH-CB 3.42Å; Y30-D59 PolarHBondContact OH-OD2 3.32Å; Y30-R80 HydrophobicContact CE1-CB 3.74Å; Y30-R80 HydrophobicContact CE1-CG 4.41Å; Y30-E81 PolarHBondContact OH-N 3Å; Y30-F82 PolarHBondContact OH-N 3.18Å; Y30-V89 HydrophobicContact CD2-CB 4.49Å; Y30-V89 HydrophobicContact CD2-CG1 3.64Å; Y30-V89 HydrophobicContact CE2-CB 4.16Å; Y30-V89 HydrophobicContact CE2-CG1 3.8Å; Y30-F91 HydrophobicContact CD1-CB 3.93Å; Y30-F91 HydrophobicContact CD1-CG 4.38Å; Y30-F91 HydrophobicContact CD2-CB 3.47Å; Y30-F91 VanDerWaalsContact CD2-CB 3.47Å; Y30-F91 HydrophobicContact CE1-CB 4.33Å; Y30-F91 HydrophobicContact CE2-CB 3.88Å; Y30-F91 HydrophobicContact CG-CB 3.48Å; Y30-F91 VanDerWaalsContact CG-CB 3.48Å; Y30-F91 HydrophobicContact CG-CG 4.1Å
31	K	98.8	Very high	97.5	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.009	7%	0.069	C	C	.	.	H	α-helix	trans	-61.9	-38.8	-179.9	-68.8	178.5	89.4	165.4	0	112	R27 A28 V29 L35 L43 Q47 T50 E53 F56	R27-K31 HydrophobicContact CG-CD 4.21Å; R27-K31 VanDerWaalsContact O-CG 3.31Å; R27-K31 WeakPolarHBondContact O-CG 3.3Å; R27-K31 PolarHBondContact O-N 3.23Å; A28-K31 PolarHBondContact O-N 3Å; V29-K31 PolarHBondContact O-N 3.33Å; K31-L35 VanDerWaalsContact O-CB 3.31Å; K31-L35 WeakPolarHBondContact O-CB 3.32Å; K31-L35 PolarHBondContact O-N 3.34Å; K31-L43 HydrophobicContact CB-CD1 4.19Å; K31-L43 HydrophobicContact CB-CD2 4Å; K31-Q47 WeakPolarHBondContact CE-O 3.44Å; K31-Q47 PolarHBondContact NZ-O 2.84Å; K31-T50 PolarHBondContact NZ-O 3.04Å; K31-T50 VanDerWaalsContact NZ-O 3.1Å; K31-E53 WeakPolarHBondContact CE-OE1 3.44Å; K31-E53 IonicContact NZ-OE1 3.33Å; K31-E53 PolarHBondContact NZ-OE1 3.1Å; K31-E53 IonicContact NZ-OE2 2.75Å; K31-F56 HydrophobicContact CB-CD1 4.14Å; K31-F56 HydrophobicContact CB-CE1 3.58Å; K31-F56 HydrophobicContact CB-CE2 4.37Å; K31-F56 HydrophobicContact CB-CZ 3.72Å; K31-F56 VanDerWaalsContact CE-CG 3.47Å; K31-F56 HydrophobicContact CG-CD1 3.87Å; K31-F56 HydrophobicContact CG-CE1 3.86Å; K31-F56 HydrophobicContact CG-CG 4.29Å; K31-F56 HydrophobicContact CG-CZ 4.24Å; K31-F56 VanDerWaalsContact O-CE1 3.22Å; K31-F56 WeakPolarHBondContact O-CE1 3.39Å; K31-F56 WeakPolarHBondContact O-CZ 3.34Å
32	D	98.7	Very high	97.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67.5	-40	177.4	-170	67.8	0	0	0	111.7	A28 V29 Y30 L35 L36 L43 R241 S244	A28-D32 WeakPolarHBondContact O-CB 3.22Å; A28-D32 PolarHBondContact O-N 3.47Å; V29-D32 PolarHBondContact O-N 3.34Å; Y30-D32 VanDerWaalsContact C-N 3.3Å; Y30-D32 PolarHBondContact O-N 2.86Å; D32-L35 PolarHBondContact O-N 2.73Å; D32-L36 WeakPolarHBondContact O-CB 3.44Å; D32-L36 PolarHBondContact O-N 3.3Å; D32-L43 HydrophobicContact CB-CD1 3.78Å; D32-L43 HydrophobicContact CB-CG 4.34Å; D32-R241 IonicContact OD1-CZ 3.5Å; D32-R241 IonicContact OD1-NE 2.73Å; D32-R241 PolarHBondContact OD1-NE 3.4Å; D32-R241 VanDerWaalsContact OD1-NE 3.08Å; D32-R241 IonicContact OD1-NH2 3.35Å; D32-R241 PolarHBondContact OD1-NH2 3.37Å; D32-R241 WeakPolarHBondContact OD2-CA 3.31Å; D32-R241 IonicContact OD2-CZ 2.82Å; D32-R241 IonicContact OD2-NE 3.92Å; D32-R241 PolarHBondContact OD2-NE 3.04Å; D32-R241 IonicContact OD2-NH2 3.94Å; D32-S244 WeakPolarHBondContact OD2-CB 3.42Å; D32-S244 PolarHBondContact OD2-OG 2.92Å
33	L	98.5	Very high	97.4	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-63.7	-45.7	174.1	-72.8	174.1	0	0	0	112.1	V20 V29 Y30 L35 L36 L37 I120 L248	V20-L33 HydrophobicContact CG2-CD1 4.44Å; V29-L33 HydrophobicContact CG1-CD1 4.23Å; V29-L33 WeakPolarHBondContact O-CG 3.16Å; V29-L33 PolarHBondContact O-N 3.45Å; Y30-L33 PolarHBondContact O-N 2.83Å; L33-L35 VanDerWaalsContact C-N 3.32Å; L33-L35 PolarHBondContact O-N 3.46Å; L33-L36 PolarHBondContact O-N 3.43Å; L33-L37 WeakPolarHBondContact O-CB 3.45Å; L33-L37 WeakPolarHBondContact O-CG 3.19Å; L33-L37 PolarHBondContact O-N 3.42Å; L33-I120 HydrophobicContact CD1-CD1 3.93Å; L33-L248 HydrophobicContact CD2-CD1 4.2Å; L33-L248 HydrophobicContact CD2-CD2 4.2Å; L33-L248 HydrophobicContact CD2-CG 4.22Å
34	V	98.6	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61	-41.4	176.9	168.3	0	0	0	0	111.4	Y30 Q38 F56 E57 D59 F82 V89	Y30-V34 HydrophobicContact CD2-CG2 4.14Å; Y30-V34 HydrophobicContact CE1-CG2 4.07Å; Y30-V34 HydrophobicContact CE2-CG2 3.69Å; Y30-V34 WeakPolarHBondContact O-CG2 3.5Å; Y30-V34 PolarHBondContact O-N 3.05Å; V34-Q38 PolarHBondContact O-NE2 2.91Å; V34-F56 HydrophobicContact CB-CD1 4.5Å; V34-F56 HydrophobicContact CB-CE1 4.04Å; V34-F56 HydrophobicContact CG1-CD1 4.12Å; V34-F56 HydrophobicContact CG1-CE1 3.91Å; V34-E57 HydrophobicContact CG1-CB 4.17Å; V34-D59 HydrophobicContact CG1-CB 4.43Å; V34-F82 HydrophobicContact CB-CB 4.46Å; V34-F82 HydrophobicContact CB-CG 4.48Å; V34-F82 HydrophobicContact CG1-CB 4.09Å; V34-F82 HydrophobicContact CG1-CD2 3.73Å; V34-F82 HydrophobicContact CG1-CE2 4.33Å; V34-F82 HydrophobicContact CG1-CG 3.9Å; V34-F82 HydrophobicContact CG2-CB 3.56Å; V34-F82 HydrophobicContact CG2-CD1 4.45Å; V34-F82 HydrophobicContact CG2-CG 4Å; V34-V89 HydrophobicContact CG2-CB 4.48Å
35	L	98.4	Very high	97.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-47.8	175.6	-172.6	75.1	0	0	0	111.3	K31 D32 L33 L37 Q38 K39 C41 L42 L43 F56 E57	K31-L35 VanDerWaalsContact O-CB 3.31Å; K31-L35 WeakPolarHBondContact O-CB 3.32Å; K31-L35 PolarHBondContact O-N 3.34Å; D32-L35 PolarHBondContact O-N 2.73Å; L33-L35 VanDerWaalsContact C-N 3.32Å; L33-L35 PolarHBondContact O-N 3.46Å; L35-L37 VanDerWaalsContact C-N 3.28Å; L35-L37 PolarHBondContact O-N 3.18Å; L35-Q38 PolarHBondContact O-N 2.83Å; L35-K39 HydrophobicContact CD1-CD 4.39Å; L35-K39 HydrophobicContact CD1-CG 4.21Å; L35-K39 HydrophobicContact CG-CG 4.48Å; L35-K39 PolarHBondContact O-N 2.76Å; L35-C41 WeakPolarHBondContact CD2-O 3.34Å; L35-L42 VanDerWaalsContact CD2-C 3.45Å; L35-L43 HydrophobicContact CB-CD2 4.41Å; L35-L43 HydrophobicContact CD2-CD2 3.93Å; L35-L43 HydrophobicContact CD2-CG 4.05Å; L35-F56 HydrophobicContact CB-CZ 4.32Å; L35-E57 HydrophobicContact CD1-CG 3.7Å; L35-E57 WeakPolarHBondContact CD1-OE1 3.5Å
36	L	97.1	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69	-26.2	-176.6	-171.2	59.9	0	0	0	112.5	A6 V9 D32 L33 Q38 Y245 L248	A6-L36 WeakPolarHBondContact CA-O 3.4Å; A6-L36 WeakPolarHBondContact CB-O 3.3Å; V9-L36 HydrophobicContact CB-CG 4.36Å; V9-L36 HydrophobicContact CG1-CG 4.45Å; V9-L36 HydrophobicContact CG2-CD2 3.78Å; V9-L36 HydrophobicContact CG2-CG 3.89Å; D32-L36 WeakPolarHBondContact O-CB 3.44Å; D32-L36 PolarHBondContact O-N 3.3Å; L33-L36 PolarHBondContact O-N 3.43Å; L36-Q38 PolarHBondContact O-N 2.77Å; L36-Y245 HydrophobicContact CD2-CE1 3.95Å; L36-L248 HydrophobicContact CD2-CD1 3.91Å
37	L	98.1	Very high	97.3	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.7	168.9	-80.9	168	0	0	0	113.4	V9 Q10 L13 L33 L35 F82 H87 V89	V9-L37 HydrophobicContact CG1-CD2 3.99Å; V9-L37 HydrophobicContact CG1-CG 4.29Å; Q10-L37 HydrophobicContact CG-CD2 4.27Å; Q10-L37 WeakPolarHBondContact CG-O 3.46Å; Q10-L37 PolarHBondContact NE2-O 3.17Å; L13-L37 HydrophobicContact CB-CD2 4.34Å; L13-L37 HydrophobicContact CD1-CD2 4.17Å; L33-L37 WeakPolarHBondContact O-CB 3.45Å; L33-L37 WeakPolarHBondContact O-CG 3.19Å; L33-L37 PolarHBondContact O-N 3.42Å; L35-L37 VanDerWaalsContact C-N 3.28Å; L35-L37 PolarHBondContact O-N 3.18Å; L37-F82 HydrophobicContact CB-CE1 4.32Å; L37-F82 HydrophobicContact CD1-CD1 4.2Å; L37-F82 HydrophobicContact CD1-CE1 4.03Å; L37-H87 HydrophobicContact CD1-CB 4.41Å; L37-V89 HydrophobicContact CD1-CG2 3.66Å
38	Q	96.8	Very high	97.1	Very high	49 Å²	49	30.1 Å²	30.1	23%	0.229	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-38.1	-174.7	-66.5	177.7	78.2	0	0	113.4	V34 L35 L36 E57 F82	V34-Q38 PolarHBondContact O-NE2 2.91Å; L35-Q38 PolarHBondContact O-N 2.83Å; L36-Q38 PolarHBondContact O-N 2.77Å; Q38-E57 PolarHBondContact NE2-O 3.01Å; Q38-E57 PolarHBondContact OE1-O 3.22Å; Q38-F82 HydrophobicContact CG-CE2 4.3Å; Q38-F82 HydrophobicContact CG-CZ 4.11Å
39	K	95.4	Very high	96.8	Very high	82 Å²	82	38.6 Å²	38.6	36%	0.357	18%	0.179	S	C	.	.			trans	-158.7	153.7	-174.6	57.5	-171	-179.2	-156.7	0	113.7	L35 C41 E57	L35-K39 HydrophobicContact CD1-CD 4.39Å; L35-K39 HydrophobicContact CD1-CG 4.21Å; L35-K39 HydrophobicContact CG-CG 4.48Å; L35-K39 PolarHBondContact O-N 2.76Å; K39-C41 VanDerWaalsContact C-N 3.26Å; K39-C41 VanDerWaalsContact CE-SG 3.52Å; K39-C41 PolarHBondContact O-N 3.5Å; K39-E57 WeakPolarHBondContact CE-OE1 3.36Å; K39-E57 WeakPolarHBondContact CE-OE2 3.43Å; K39-E57 IonicContact NZ-OE1 3.03Å; K39-E57 PolarHBondContact NZ-OE1 2.61Å; K39-E57 IonicContact NZ-OE2 2.79Å; K39-E57 PolarHBondContact NZ-OE2 2.84Å
40	D	95.2	Very high	96.7	Very high	51 Å²	51	40.7 Å²	40.7	27%	0.273	19%	0.192	S	C	.	.	S	Bend	trans	-82.9	47.4	-177.2	-68.7	-61.9	0	0	0	114.1	L5 A6 W272	L5-D40 WeakPolarHBondContact CA-OD1 3.45Å; A6-D40 PolarHBondContact N-OD1 2.82Å; D40-W272 PolarHBondContact O-NE1 2.86Å
41	C	94.8	Very high	96.4	Very high	30 Å²	30	42.9 Å²	42.9	20%	0.203	20%	0.201	C	C	.	.			trans	-122.4	162.1	177	74.5	0	0	0	0	111.5	L35 K39 R241	L35-C41 WeakPolarHBondContact CD2-O 3.34Å; K39-C41 VanDerWaalsContact C-N 3.26Å; K39-C41 VanDerWaalsContact CE-SG 3.52Å; K39-C41 PolarHBondContact O-N 3.5Å; C41-R241 PolarHBondContact O-NH1 2.99Å; C41-R241 PolarHBondContact O-NH2 2.94Å
42	L	97	Very high	96.2	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.131	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-81.4	159	172	-67.4	171.6	0	0	0	110.7	L35 T44 E237 H238 R241	L35-L42 VanDerWaalsContact CD2-C 3.45Å; L42-T44 PolarHBondContact O-N 2.89Å; L42-E237 HydrophobicContact CB-CB 4.2Å; L42-E237 HydrophobicContact CB-CG 4.09Å; L42-E237 HydrophobicContact CD1-CG 4.12Å; L42-H238 WeakPolarHBondContact CD1-CE1 3.41Å; L42-H238 WeakPolarHBondContact CD1-ND1 3.23Å; L42-R241 HydrophobicContact CD2-CB 3.52Å; L42-R241 HydrophobicContact CD2-CG 3.73Å
43	L	97.6	Very high	96.1	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-60.5	137.2	166.6	-72.4	168.5	0	0	0	109.7	K31 D32 L35 Q47 L48 F56 E237	K31-L43 HydrophobicContact CB-CD1 4.19Å; K31-L43 HydrophobicContact CB-CD2 4Å; D32-L43 HydrophobicContact CB-CD1 3.78Å; D32-L43 HydrophobicContact CB-CG 4.34Å; L35-L43 HydrophobicContact CB-CD2 4.41Å; L35-L43 HydrophobicContact CD2-CD2 3.93Å; L35-L43 HydrophobicContact CD2-CG 4.05Å; L43-Q47 HydrophobicContact CD2-CB 4.04Å; L43-L48 HydrophobicContact CB-CD2 4.28Å; L43-L48 HydrophobicContact CB-CG 4.03Å; L43-L48 HydrophobicContact CD1-CD2 3.6Å; L43-L48 HydrophobicContact CD1-CG 4.24Å; L43-F56 HydrophobicContact CD2-CE2 3.86Å; L43-F56 HydrophobicContact CD2-CZ 3.51Å; L43-E237 HydrophobicContact CB-CB 4.3Å; L43-E237 WeakPolarHBondContact O-CB 3.14Å
44	T	97	Very high	96.1	Very high	57 Å²	57	48.2 Å²	48.2	35%	0.35	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-72.2	155.4	167.9	63.7	0	0	0	0	110.4	L42 K46 Q47 L48	L42-T44 PolarHBondContact O-N 2.89Å; T44-K46 PolarHBondContact O-N 2.85Å; T44-Q47 PolarHBondContact O-N 3.34Å; T44-Q47 WeakPolarHBondContact OG1-CB 3.31Å; T44-Q47 VanDerWaalsContact OG1-CG 3.22Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.42Å; T44-Q47 PolarHBondContact OG1-N 3.07Å; T44-Q47 VanDerWaalsContact OG1-N 3.15Å; T44-Q47 PolarHBondContact OG1-OE1 3.45Å; T44-L48 PolarHBondContact O-N 3.12Å
45	H	94.2	Very high	96.1	Very high	97 Å²	97	52.1 Å²	52.1	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-56.7	-34.3	173.5	177.1	-106.3	0	0	0	112.8	L48 R49	H45-L48 PolarHBondContact O-N 3.44Å; H45-R49 WeakPolarHBondContact CE1-CD 3.42Å; H45-R49 WeakPolarHBondContact NE2-CD 3.45Å; H45-R49 WeakPolarHBondContact O-CG 3.47Å; H45-R49 PolarHBondContact O-N 2.94Å
46	K	95.9	Very high	96.1	Very high	163 Å²	163	52.6 Å²	52.6	71%	0.709	26%	0.255	S	S	*	.	H	α-helix	trans	-61.8	-51.9	173.1	-175.8	179.7	177.8	-176.4	0	110.2	T44 L48 R49 T50	T44-K46 PolarHBondContact O-N 2.85Å; K46-L48 VanDerWaalsContact C-N 3.29Å; K46-L48 PolarHBondContact O-N 3.07Å; K46-R49 PolarHBondContact O-N 2.91Å; K46-T50 PolarHBondContact O-N 3.32Å; K46-T50 PolarHBondContact O-OG1 3.45Å
47	Q	97.1	Very high	96	Very high	34 Å²	34	54.8 Å²	54.8	16%	0.159	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-37.4	178.9	-73.1	166.2	-43.6	0	0	112.5	K31 L43 T44 R49 F56 E57	K31-Q47 WeakPolarHBondContact CE-O 3.44Å; K31-Q47 PolarHBondContact NZ-O 2.84Å; L43-Q47 HydrophobicContact CD2-CB 4.04Å; T44-Q47 PolarHBondContact O-N 3.34Å; T44-Q47 WeakPolarHBondContact OG1-CB 3.31Å; T44-Q47 VanDerWaalsContact OG1-CG 3.22Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.42Å; T44-Q47 PolarHBondContact OG1-N 3.07Å; T44-Q47 VanDerWaalsContact OG1-N 3.15Å; T44-Q47 PolarHBondContact OG1-OE1 3.45Å; Q47-R49 VanDerWaalsContact C-N 3.31Å; Q47-R49 PolarHBondContact O-N 3.21Å; Q47-F56 HydrophobicContact CB-CE2 3.96Å; Q47-F56 HydrophobicContact CG-CD2 4.26Å; Q47-F56 HydrophobicContact CG-CE2 3.77Å; Q47-E57 PolarHBondContact NE2-OE1 3.41Å
48	L	94.8	Very high	96	Very high	28 Å²	28	62.4 Å²	62.4	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-36.1	174.5	-76.8	170	0	0	0	113.3	A28 L43 T44 H45 K46 E237	A28-L48 HydrophobicContact CB-CD2 3.76Å; L43-L48 HydrophobicContact CB-CD2 4.28Å; L43-L48 HydrophobicContact CB-CG 4.03Å; L43-L48 HydrophobicContact CD1-CD2 3.6Å; L43-L48 HydrophobicContact CD1-CG 4.24Å; T44-L48 PolarHBondContact O-N 3.12Å; H45-L48 PolarHBondContact O-N 3.44Å; K46-L48 VanDerWaalsContact C-N 3.29Å; K46-L48 PolarHBondContact O-N 3.07Å; L48-E237 HydrophobicContact CD1-CB 3.91Å
49	R	92.2	Very high	96	Very high	183 Å²	183	60.1 Å²	60.1	69%	0.691	29%	0.287	S	S	*	.	H	α-helix	trans	-84.9	-31.4	-176	-72.9	-173.9	64.1	-171.1	-0.2	113.8	H45 K46 Q47 K51	H45-R49 WeakPolarHBondContact CE1-CD 3.42Å; H45-R49 WeakPolarHBondContact NE2-CD 3.45Å; H45-R49 WeakPolarHBondContact O-CG 3.47Å; H45-R49 PolarHBondContact O-N 2.94Å; K46-R49 PolarHBondContact O-N 2.91Å; Q47-R49 VanDerWaalsContact C-N 3.31Å; Q47-R49 PolarHBondContact O-N 3.21Å; R49-K51 PolarHBondContact O-N 2.95Å
50	T	94.9	Very high	96.2	Very high	44 Å²	44	62.3 Å²	62.3	27%	0.27	30%	0.299	S	S	.	.			trans	-64.5	132.7	179	-47	0	0	0	0	109.9	K31 K46 E53	K31-T50 PolarHBondContact NZ-O 3.04Å; K31-T50 VanDerWaalsContact NZ-O 3.1Å; K46-T50 PolarHBondContact O-N 3.32Å; K46-T50 PolarHBondContact O-OG1 3.45Å; T50-E53 WeakPolarHBondContact CB-OE1 3.31Å; T50-E53 HydrophobicContact CG2-CB 3.86Å; T50-E53 HydrophobicContact CG2-CG 4.07Å; T50-E53 WeakPolarHBondContact CG2-OE1 3.42Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.37Å
51	K	93.7	Very high	96.3	Very high	46 Å²	46	60.5 Å²	60.5	20%	0.2	29%	0.289	C	S	.	.			trans	-132.5	144.5	175.5	61.3	166.8	-171.7	154.3	0	109	R27 R49 E53 L70 H71 N72	R27-K51 VanDerWaalsContact CZ-CB 3.45Å; R49-K51 PolarHBondContact O-N 2.95Å; K51-E53 VanDerWaalsContact C-OE2 3.26Å; K51-E53 WeakPolarHBondContact CA-OE2 3.46Å; K51-E53 PolarHBondContact N-OE2 3.06Å; K51-E53 PolarHBondContact O-N 3.24Å; K51-L70 HydrophobicContact CD-CD1 4.34Å; K51-L70 HydrophobicContact CG-CD1 4.24Å; K51-L70 HydrophobicContact CG-CD2 4.41Å; K51-H71 PolarHBondContact NZ-O 3.29Å; K51-N72 PolarHBondContact NZ-OD1 3.2Å
52	G	94.9	Very high	96.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	69.1	13.4	175.2	0	0	0	0	0	115.5	L61 G65 E66 E78	G52-L61 VanDerWaalsContact O-CD2 3.24Å; G52-L61 WeakPolarHBondContact O-CD2 3.32Å; G52-G65 VanDerWaalsContact CA-CA 3.44Å; G52-G65 CarbonylContact O-C 3.58Å; G52-E66 VanDerWaalsContact O-CB 3.29Å; G52-E66 WeakPolarHBondContact O-CB 3.49Å; G52-E66 VanDerWaalsContact O-CG 3.22Å; G52-E66 WeakPolarHBondContact O-CG 3.37Å; G52-E66 PolarHBondContact O-N 3.42Å; G52-E78 PolarHBondContact N-OE1 2.96Å
53	E	96.9	Very high	96.4	Very high	19 Å²	19	67.7 Å²	67.7	9%	0.089	32%	0.318	C	S	.	.			trans	-63.5	146.2	174.7	61.3	-92.3	-129.4	0	0	111.9	K31 T50 K51 T55 F56 R80	K31-E53 WeakPolarHBondContact CE-OE1 3.44Å; K31-E53 IonicContact NZ-OE1 3.33Å; K31-E53 PolarHBondContact NZ-OE1 3.1Å; K31-E53 IonicContact NZ-OE2 2.75Å; T50-E53 WeakPolarHBondContact CB-OE1 3.31Å; T50-E53 HydrophobicContact CG2-CB 3.86Å; T50-E53 HydrophobicContact CG2-CG 4.07Å; T50-E53 WeakPolarHBondContact CG2-OE1 3.42Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.37Å; K51-E53 VanDerWaalsContact C-OE2 3.26Å; K51-E53 WeakPolarHBondContact CA-OE2 3.46Å; K51-E53 PolarHBondContact N-OE2 3.06Å; K51-E53 PolarHBondContact O-N 3.24Å; E53-T55 VanDerWaalsContact CG-O 3.32Å; E53-T55 WeakPolarHBondContact CG-O 3.44Å; E53-T55 PolarHBondContact O-N 3.48Å; E53-F56 HydrophobicContact CG-CB 4.27Å; E53-R80 PolarHBondContact O-NH1 2.9Å; E53-R80 PolarHBondContact O-NH2 2.91Å; E53-R80 IonicContact OE2-NH1 3.23Å
54	L	97.8	Very high	96.3	Very high	95 Å²	95	67.7 Å²	67.7	50%	0.497	32%	0.319	S	S	.	.	S	Bend	trans	-54.7	-37.5	178.2	-71.5	176.9	0	0	0	113.8	L61 E66 L67	L54-L61 WeakPolarHBondContact O-CB 3.3Å; L54-L61 PolarHBondContact O-N 3.35Å; L54-E66 HydrophobicContact CD2-CB 4.13Å; L54-E66 HydrophobicContact CG-CB 4.21Å; L54-E66 WeakPolarHBondContact CG-OE2 3.49Å; L54-E66 PolarHBondContact N-OE2 3.01Å; L54-E66 VanDerWaalsContact N-OE2 3.1Å; L54-L67 HydrophobicContact CD2-CD2 3.69Å; L54-L67 HydrophobicContact CD2-CG 4.18Å
55	T	97.9	Very high	96.1	Very high	83 Å²	83	65 Å²	65	51%	0.509	30%	0.303	S	S	.	.			trans	-146.3	145.2	179	-175.8	0	0	0	0	111.6	E53 D59	E53-T55 VanDerWaalsContact CG-O 3.32Å; E53-T55 WeakPolarHBondContact CG-O 3.44Å; E53-T55 PolarHBondContact O-N 3.48Å; T55-D59 WeakPolarHBondContact CB-O 3.38Å; T55-D59 PolarHBondContact OG1-O 3.37Å
56	F	97.9	Very high	96.1	Very high	9 Å²	9	66.1 Å²	66.1	4%	0.039	31%	0.308	C	S	.	.	S	Bend	trans	-136.9	116.3	172	164.4	-96.1	0	0	0	107.9	K31 V34 L35 L43 Q47 E53 K58 D59	K31-F56 HydrophobicContact CB-CD1 4.14Å; K31-F56 HydrophobicContact CB-CE1 3.58Å; K31-F56 HydrophobicContact CB-CE2 4.37Å; K31-F56 HydrophobicContact CB-CZ 3.72Å; K31-F56 VanDerWaalsContact CE-CG 3.47Å; K31-F56 HydrophobicContact CG-CD1 3.87Å; K31-F56 HydrophobicContact CG-CE1 3.86Å; K31-F56 HydrophobicContact CG-CG 4.29Å; K31-F56 HydrophobicContact CG-CZ 4.24Å; K31-F56 VanDerWaalsContact O-CE1 3.22Å; K31-F56 WeakPolarHBondContact O-CE1 3.39Å; K31-F56 WeakPolarHBondContact O-CZ 3.34Å; V34-F56 HydrophobicContact CB-CD1 4.5Å; V34-F56 HydrophobicContact CB-CE1 4.04Å; V34-F56 HydrophobicContact CG1-CD1 4.12Å; V34-F56 HydrophobicContact CG1-CE1 3.91Å; L35-F56 HydrophobicContact CB-CZ 4.32Å; L43-F56 HydrophobicContact CD2-CE2 3.86Å; L43-F56 HydrophobicContact CD2-CZ 3.51Å; Q47-F56 HydrophobicContact CB-CE2 3.96Å; Q47-F56 HydrophobicContact CG-CD2 4.26Å; Q47-F56 HydrophobicContact CG-CE2 3.77Å; E53-F56 HydrophobicContact CG-CB 4.27Å; F56-K58 VanDerWaalsContact C-N 3.35Å; F56-K58 PolarHBondContact O-N 2.99Å; F56-D59 WeakPolarHBondContact CA-OD1 3.37Å; F56-D59 WeakPolarHBondContact CB-OD1 3.46Å; F56-D59 PolarHBondContact N-OD1 3.38Å; F56-D59 VanDerWaalsContact O-CB 3.24Å; F56-D59 WeakPolarHBondContact O-CB 3.3Å; F56-D59 PolarHBondContact O-N 3.45Å; F56-D59 VanDerWaalsContact O-OD1 3.07Å
57	E	96.4	Very high	96	Very high	47 Å²	47	63.1 Å²	63.1	22%	0.22	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	55.2	176	-60.4	-74.5	173.1	0	0	112.4	V34 L35 Q38 K39 Q47 D59	V34-E57 HydrophobicContact CG1-CB 4.17Å; L35-E57 HydrophobicContact CD1-CG 3.7Å; L35-E57 WeakPolarHBondContact CD1-OE1 3.5Å; Q38-E57 PolarHBondContact NE2-O 3.01Å; Q38-E57 PolarHBondContact OE1-O 3.22Å; K39-E57 WeakPolarHBondContact CE-OE1 3.36Å; K39-E57 WeakPolarHBondContact CE-OE2 3.43Å; K39-E57 IonicContact NZ-OE1 3.03Å; K39-E57 PolarHBondContact NZ-OE1 2.61Å; K39-E57 IonicContact NZ-OE2 2.79Å; K39-E57 PolarHBondContact NZ-OE2 2.84Å; Q47-E57 PolarHBondContact NE2-OE1 3.41Å; E57-D59 PolarHBondContact O-N 2.96Å; E57-D59 VanDerWaalsContact O-N 3.13Å
58	K	96.9	Very high	95.8	Very high	165 Å²	165	66.7 Å²	66.7	72%	0.717	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	5.2	-179.8	-48.7	177.2	-173.9	170.8	0	116	F56 F82	F56-K58 VanDerWaalsContact C-N 3.35Å; F56-K58 PolarHBondContact O-N 2.99Å; K58-F82 HydrophobicContact CB-CE2 4.43Å
59	D	98.2	Very high	95.6	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	34%	0.338	C	S	.	.			trans	-73.6	171.2	165.5	95.9	-16.1	0	0	0	111.3	Y30 V34 T55 F56 E57 R80 E81 F82	Y30-D59 WeakPolarHBondContact CE1-OD2 3.31Å; Y30-D59 WeakPolarHBondContact OH-CB 3.42Å; Y30-D59 PolarHBondContact OH-OD2 3.32Å; V34-D59 HydrophobicContact CG1-CB 4.43Å; T55-D59 WeakPolarHBondContact CB-O 3.38Å; T55-D59 PolarHBondContact OG1-O 3.37Å; F56-D59 WeakPolarHBondContact CA-OD1 3.37Å; F56-D59 WeakPolarHBondContact CB-OD1 3.46Å; F56-D59 PolarHBondContact N-OD1 3.38Å; F56-D59 VanDerWaalsContact O-CB 3.24Å; F56-D59 WeakPolarHBondContact O-CB 3.3Å; F56-D59 PolarHBondContact O-N 3.45Å; F56-D59 VanDerWaalsContact O-OD1 3.07Å; E57-D59 PolarHBondContact O-N 2.96Å; E57-D59 VanDerWaalsContact O-N 3.13Å; D59-R80 IonicContact OD1-CZ 2.77Å; D59-R80 IonicContact OD1-NE 2.72Å; D59-R80 IonicContact OD1-NH2 3.03Å; D59-R80 PolarHBondContact OD1-NH2 3.42Å; D59-R80 IonicContact OD2-CZ 2.7Å; D59-R80 IonicContact OD2-NE 3.93Å; D59-R80 PolarHBondContact OD2-NE 2.97Å; D59-R80 IonicContact OD2-NH2 3.81Å; D59-R80 PolarHBondContact OD2-NH2 2.91Å; D59-E81 CarbonylContact C-O 3.58Å; D59-E81 WeakPolarHBondContact CA-O 3.16Å; D59-E81 WeakPolarHBondContact CB-O 3.4Å; D59-F82 HydrophobicContact CB-CB 3.9Å; D59-F82 HydrophobicContact CB-CD2 4.41Å
60	Q	98.4	Very high	95.5	Very high	127 Å²	127	65 Å²	65	59%	0.593	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.4	175.6	-61	-177.6	21.4	0	0	110.5	M62 R80 E81	Q60-M62 HydrophobicContact CB-SD 4.17Å; Q60-R80 WeakPolarHBondContact O-CA 3.38Å; Q60-E81 PolarHBondContact N-O 3.19Å; Q60-E81 PolarHBondContact O-N 2.88Å
61	L	98.5	Very high	95.2	Very high	13 Å²	13	64.1 Å²	64.1	7%	0.068	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	118.2	166.1	-178.1	62.7	0	0	0	108.9	G52 L54 K63 G64 E66 L67 E78 R80	G52-L61 VanDerWaalsContact O-CD2 3.24Å; G52-L61 WeakPolarHBondContact O-CD2 3.32Å; L54-L61 WeakPolarHBondContact O-CB 3.3Å; L54-L61 PolarHBondContact O-N 3.35Å; L61-K63 WeakPolarHBondContact CD1-O 3.4Å; L61-G64 WeakPolarHBondContact CD2-O 3.33Å; L61-E66 HydrophobicContact CD2-CB 4.44Å; L61-L67 HydrophobicContact CD2-CD1 4.45Å; L61-L67 HydrophobicContact CD2-CG 4Å; L61-L67 HydrophobicContact CG-CD1 4.1Å; L61-L67 HydrophobicContact CG-CG 4.2Å; L61-L67 VanDerWaalsContact O-CD1 3.29Å; L61-L67 WeakPolarHBondContact O-CD1 3.45Å; L61-E78 HydrophobicContact CD1-CG 3.98Å; L61-R80 HydrophobicContact CD1-CG 4.14Å
62	M	97.6	Very high	94.8	Very high	95 Å²	95	66.6 Å²	66.6	47%	0.468	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-30	-178	-56	-57	-71.9	0	0	112.1	Q60 V79 E81	Q60-M62 HydrophobicContact CB-SD 4.17Å; M62-V79 HydrophobicContact CB-CB 4.16Å; M62-V79 HydrophobicContact CB-CG1 4.05Å; M62-V79 HydrophobicContact CG-CG1 4.49Å; M62-V79 PolarHBondContact N-O 3.43Å; M62-E81 HydrophobicContact CG-CB 3.88Å; M62-E81 HydrophobicContact SD-CB 4.23Å
63	K	96.4	Very high	94.5	Very high	112 Å²	112	72.9 Å²	72.9	49%	0.487	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	147.2	-179.5	-173.4	171.2	-177.6	172	0	111.5	L61 E78 V79	L61-K63 WeakPolarHBondContact CD1-O 3.4Å; K63-E78 VanDerWaalsContact O-CA 3.31Å; K63-E78 WeakPolarHBondContact O-CA 3.41Å; K63-V79 HydrophobicContact CB-CB 4.02Å; K63-V79 HydrophobicContact CB-CG2 4.04Å; K63-V79 PolarHBondContact N-O 2.99Å; K63-V79 PolarHBondContact O-N 2.73Å
64	G	95.3	Very high	94.1	Very high	4 Å²	4	74.8 Å²	74.8	4%	0.041	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.2	-158.5	175.7	0	0	0	0	0	112.7	L61 E66 L67 R77	L61-G64 WeakPolarHBondContact CD2-O 3.33Å; G64-E66 PolarHBondContact O-N 2.93Å; G64-L67 WeakPolarHBondContact O-CB 3.48Å; G64-L67 PolarHBondContact O-N 3.31Å; G64-R77 WeakPolarHBondContact CA-O 3.36Å
65	G	92.1	Very high	93.8	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	60	-129.4	179.9	0	0	0	0	0	112.3	G52 L67 D68	G52-G65 VanDerWaalsContact CA-CA 3.44Å; G52-G65 CarbonylContact O-C 3.58Å; G65-L67 VanDerWaalsContact C-N 3.28Å; G65-L67 PolarHBondContact O-N 2.7Å; G65-D68 CarbonylContact O-C 3.31Å; G65-D68 VanDerWaalsContact O-C 3.31Å; G65-D68 PolarHBondContact O-N 3.29Å
66	E	94.6	Very high	93.5	Very high	120 Å²	120	70.2 Å²	70.2	56%	0.561	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-73.8	-11.6	175.9	-76.5	170.4	-168.6	0	0	113.8	G52 L54 L61 G64	G52-E66 VanDerWaalsContact O-CB 3.29Å; G52-E66 WeakPolarHBondContact O-CB 3.49Å; G52-E66 VanDerWaalsContact O-CG 3.22Å; G52-E66 WeakPolarHBondContact O-CG 3.37Å; G52-E66 PolarHBondContact O-N 3.42Å; L54-E66 HydrophobicContact CD2-CB 4.13Å; L54-E66 HydrophobicContact CG-CB 4.21Å; L54-E66 WeakPolarHBondContact CG-OE2 3.49Å; L54-E66 PolarHBondContact N-OE2 3.01Å; L54-E66 VanDerWaalsContact N-OE2 3.1Å; L61-E66 HydrophobicContact CD2-CB 4.44Å; G64-E66 PolarHBondContact O-N 2.93Å
67	L	94.6	Very high	93.3	Very high	101 Å²	101	72.6 Å²	72.6	53%	0.529	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-79.8	-6.7	169.4	-62.4	179.4	0	0	0	112.6	L54 L61 G64 G65	L54-L67 HydrophobicContact CD2-CD2 3.69Å; L54-L67 HydrophobicContact CD2-CG 4.18Å; L61-L67 HydrophobicContact CD2-CD1 4.45Å; L61-L67 HydrophobicContact CD2-CG 4Å; L61-L67 HydrophobicContact CG-CD1 4.1Å; L61-L67 HydrophobicContact CG-CG 4.2Å; L61-L67 VanDerWaalsContact O-CD1 3.29Å; L61-L67 WeakPolarHBondContact O-CD1 3.45Å; G64-L67 WeakPolarHBondContact O-CB 3.48Å; G64-L67 PolarHBondContact O-N 3.31Å; G65-L67 VanDerWaalsContact C-N 3.28Å; G65-L67 PolarHBondContact O-N 2.7Å
68	D	92.9	Very high	93.4	Very high	108 Å²	108	70.3 Å²	70.3	58%	0.578	34%	0.343	S	S	*	.	S	Bend	trans	-145.4	-168.2	179.5	-160.8	-11.5	0	0	0	109.1	G65	G65-D68 CarbonylContact O-C 3.31Å; G65-D68 VanDerWaalsContact O-C 3.31Å; G65-D68 PolarHBondContact O-N 3.29Å
69	T	89.5	Confident	93.4	Very high	88 Å²	88	63 Å²	63	54%	0.54	31%	0.312	S	S	.	.			trans	-78.5	126	173.6	-56.1	0	0	0	0	110	H71	T69-H71 PolarHBondContact O-CD2 3.07Å; T69-H71 PolarHBondContact O-N 3.22Å
70	L	90.2	Very high	93.4	Very high	88 Å²	88	63 Å²	63	46%	0.461	31%	0.312	S	S	.	.			trans	-75.7	116.4	175.5	-162.3	79.3	0	0	0	110.7	K51 Y76	K51-L70 HydrophobicContact CD-CD1 4.34Å; K51-L70 HydrophobicContact CG-CD1 4.24Å; K51-L70 HydrophobicContact CG-CD2 4.41Å; L70-Y76 HydrophobicContact CD1-CE2 4.29Å
71	H	88.7	Confident	93.4	Very high	26 Å²	26	58.7 Å²	58.7	12%	0.12	29%	0.292	C	S	.	.			trans	-138.4	178.3	176.1	59.8	90.6	0	0	0	112.5	K51 T69 R73 D75 Y76	K51-H71 PolarHBondContact NZ-O 3.29Å; T69-H71 PolarHBondContact O-CD2 3.07Å; T69-H71 PolarHBondContact O-N 3.22Å; H71-R73 PolarHBondContact CD2-NH2 3.03Å; H71-R73 VanDerWaalsContact CD2-NH2 3.33Å; H71-R73 PolarHBondContact ND1-N 3.25Å; H71-R73 PolarHBondContact NE2-NH2 3.08Å; H71-D75 IonicContact CE1-OD1 3.13Å; H71-D75 PolarHBondContact CE1-OD1 2.89Å; H71-D75 IonicContact CE1-OD2 3.75Å; H71-D75 IonicContact ND1-OD1 3.55Å; H71-Y76 WeakPolarHBondContact CE1-CA 3.37Å; H71-Y76 PolarHBondContact CE1-N 3.23Å
72	N	85.6	Confident	93.5	Very high	97 Å²	97	58.5 Å²	58.5	52%	0.519	29%	0.29	S	S	.	.			trans	-124.9	31.7	-179.1	-65.9	-43.9	0	0	0	112	K51 R130	K51-N72 PolarHBondContact NZ-OD1 3.2Å; N72-R130 PolarHBondContact O-NH1 2.9Å
73	R	88.5	Confident	93.5	Very high	133 Å²	133	57.8 Å²	57.8	50%	0.502	29%	0.294	S	S	.	.	S	Bend	trans	-95.5	170.8	-178.9	-62.4	-176.3	-56.9	-102.7	2	110.8	H71 D75 Y76	H71-R73 PolarHBondContact CD2-NH2 3.03Å; H71-R73 VanDerWaalsContact CD2-NH2 3.33Å; H71-R73 PolarHBondContact ND1-N 3.25Å; H71-R73 PolarHBondContact NE2-NH2 3.08Å; R73-D75 WeakPolarHBondContact CB-OD1 3.2Å; R73-D75 IonicContact CZ-OD2 3.93Å; R73-D75 IonicContact NE-OD1 3.71Å; R73-D75 PolarHBondContact NE-OD1 2.68Å; R73-D75 IonicContact NE-OD2 3.11Å; R73-D75 PolarHBondContact NE-OD2 3.21Å; R73-D75 IonicContact NH2-OD2 3.41Å; R73-D75 PolarHBondContact NH2-OD2 3.39Å; R73-D75 PolarHBondContact O-N 3.31Å; R73-Y76 WeakPolarHBondContact O-CB 3.43Å; R73-Y76 PolarHBondContact O-N 2.73Å
74	T	88.9	Confident	93.5	Very high	58 Å²	58	54.5 Å²	54.5	36%	0.356	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.3	-176.6	45.9	0	0	0	0	113.9	Y76 R77 T95 W126 R130 Y131	T74-Y76 VanDerWaalsContact C-N 3.33Å; T74-R77 PolarHBondContact O-NH1 2.97Å; T74-T95 WeakPolarHBondContact O-CB 3.26Å; T74-T95 PolarHBondContact O-OG1 3.23Å; T74-W126 HydrophobicContact CG2-CE3 4.45Å; T74-W126 HydrophobicContact CG2-CZ3 4.33Å; T74-R130 HydrophobicContact CG2-CB 4.21Å; T74-Y131 HydrophobicContact CG2-CE1 4.2Å; T74-Y131 HydrophobicContact CG2-CE2 4.34Å
75	D	90.3	Very high	93.5	Very high	77 Å²	77	61.6 Å²	61.6	41%	0.412	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.7	172	60.7	-28.5	0	0	0	113	H71 R73 R77	H71-D75 IonicContact CE1-OD1 3.13Å; H71-D75 PolarHBondContact CE1-OD1 2.89Å; H71-D75 IonicContact CE1-OD2 3.75Å; H71-D75 IonicContact ND1-OD1 3.55Å; R73-D75 WeakPolarHBondContact CB-OD1 3.2Å; R73-D75 IonicContact CZ-OD2 3.93Å; R73-D75 IonicContact NE-OD1 3.71Å; R73-D75 PolarHBondContact NE-OD1 2.68Å; R73-D75 IonicContact NE-OD2 3.11Å; R73-D75 PolarHBondContact NE-OD2 3.21Å; R73-D75 IonicContact NH2-OD2 3.41Å; R73-D75 PolarHBondContact NH2-OD2 3.39Å; R73-D75 PolarHBondContact O-N 3.31Å; D75-R77 PolarHBondContact O-N 2.99Å; D75-R77 PolarHBondContact O-NH1 3.49Å
76	Y	92.6	Very high	93.7	Very high	6 Å²	6	65.7 Å²	65.7	2%	0.024	34%	0.341	C	S	.	.			trans	-62	135.4	178.8	-176.5	-108.6	0	0	0	111.3	L70 H71 R73 T74 E78 F93	L70-Y76 HydrophobicContact CD1-CE2 4.29Å; H71-Y76 WeakPolarHBondContact CE1-CA 3.37Å; H71-Y76 PolarHBondContact CE1-N 3.23Å; R73-Y76 WeakPolarHBondContact O-CB 3.43Å; R73-Y76 PolarHBondContact O-N 2.73Å; T74-Y76 VanDerWaalsContact C-N 3.33Å; Y76-E78 HydrophobicContact CE1-CB 3.77Å; Y76-E78 PolarHBondContact OH-OE2 2.75Å; Y76-F93 AromaticContact CD1-CD1 3.68Å; Y76-F93 HydrophobicContact CD1-CD1 3.68Å; Y76-F93 HydrophobicContact CD1-CD2 4.46Å; Y76-F93 AromaticContact CD1-CE1 3.86Å; Y76-F93 HydrophobicContact CD1-CE1 3.86Å; Y76-F93 HydrophobicContact CD1-CG 4.02Å; Y76-F93 HydrophobicContact CD1-CZ 4.34Å; Y76-F93 HydrophobicContact CE1-CD1 4.18Å; Y76-F93 HydrophobicContact CE1-CD2 4.19Å; Y76-F93 HydrophobicContact CE1-CE1 4.48Å; Y76-F93 HydrophobicContact CE1-CE2 4.49Å; Y76-F93 HydrophobicContact CE1-CG 4.04Å
77	R	93.5	Very high	93.9	Very high	58 Å²	58	61 Å²	61	22%	0.219	32%	0.319	C	S	.	.			trans	-130.1	143.3	176.4	-54.3	-61.9	176.1	-103.8	-0.3	108.3	G64 T74 D75 T95 Y101	G64-R77 WeakPolarHBondContact CA-O 3.36Å; T74-R77 PolarHBondContact O-NH1 2.97Å; D75-R77 PolarHBondContact O-N 2.99Å; D75-R77 PolarHBondContact O-NH1 3.49Å; R77-T95 PolarHBondContact NH1-OG1 3.34Å; R77-Y101 VanDerWaalsContact CD-CD1 3.45Å; R77-Y101 VanDerWaalsContact CD-CE1 3.49Å; R77-Y101 HydrophobicContact CG-CE2 4.49Å; R77-Y101 VanDerWaalsContact NE-CG 3.27Å
78	E	97.2	Very high	94	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	125	172.6	178.4	-177.7	-179.5	0	0	106.7	R27 G52 L61 K63 Y76 R80 F91 F93	R27-E78 VanDerWaalsContact CD-OE1 3.32Å; R27-E78 WeakPolarHBondContact CD-OE1 3.45Å; R27-E78 WeakPolarHBondContact CD-OE2 3.45Å; R27-E78 IonicContact CZ-OE2 2.7Å; R27-E78 IonicContact NE-OE2 3.22Å; R27-E78 IonicContact NH1-OE2 3.09Å; R27-E78 PolarHBondContact NH1-OE2 2.83Å; G52-E78 PolarHBondContact N-OE1 2.96Å; L61-E78 HydrophobicContact CD1-CG 3.98Å; K63-E78 VanDerWaalsContact O-CA 3.31Å; K63-E78 WeakPolarHBondContact O-CA 3.41Å; Y76-E78 HydrophobicContact CE1-CB 3.77Å; Y76-E78 PolarHBondContact OH-OE2 2.75Å; E78-R80 HydrophobicContact CG-CG 4.22Å; E78-R80 IonicContact OE1-NH1 3.5Å; E78-F91 HydrophobicContact CG-CE1 4.37Å; E78-F93 HydrophobicContact CB-CB 3.75Å; E78-F93 PolarHBondContact O-N 3.4Å
79	V	98.4	Very high	94.3	Very high	12 Å²	12	52.6 Å²	52.6	7%	0.073	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127	175.2	-175.8	0	0	0	0	108.2	M62 K63 R90 F91 Y92 Y101	M62-V79 HydrophobicContact CB-CB 4.16Å; M62-V79 HydrophobicContact CB-CG1 4.05Å; M62-V79 HydrophobicContact CG-CG1 4.49Å; M62-V79 PolarHBondContact N-O 3.43Å; K63-V79 HydrophobicContact CB-CB 4.02Å; K63-V79 HydrophobicContact CB-CG2 4.04Å; K63-V79 PolarHBondContact N-O 2.99Å; K63-V79 PolarHBondContact O-N 2.73Å; V79-R90 HydrophobicContact CG1-CG 4.33Å; V79-F91 CarbonylContact C-O 3.54Å; V79-F91 VanDerWaalsContact CA-O 3.25Å; V79-F91 WeakPolarHBondContact CA-O 3.37Å; V79-Y92 HydrophobicContact CB-CD1 4.41Å; V79-Y92 HydrophobicContact CG1-CD1 3.93Å; V79-Y92 HydrophobicContact CG1-CE1 3.84Å; V79-Y92 HydrophobicContact CG2-CD1 3.65Å; V79-Y92 HydrophobicContact CG2-CE1 4.14Å; V79-Y101 WeakPolarHBondContact CG2-OH 3.5Å
80	R	98.6	Very high	94.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.8	178.7	-54.1	-173.6	74.7	81.7	10.3	110.7	Y30 E53 D59 Q60 L61 E78 R90 F91	Y30-R80 HydrophobicContact CE1-CB 3.74Å; Y30-R80 HydrophobicContact CE1-CG 4.41Å; E53-R80 PolarHBondContact O-NH1 2.9Å; E53-R80 PolarHBondContact O-NH2 2.91Å; E53-R80 IonicContact OE2-NH1 3.23Å; D59-R80 IonicContact OD1-CZ 2.77Å; D59-R80 IonicContact OD1-NE 2.72Å; D59-R80 IonicContact OD1-NH2 3.03Å; D59-R80 PolarHBondContact OD1-NH2 3.42Å; D59-R80 IonicContact OD2-CZ 2.7Å; D59-R80 IonicContact OD2-NE 3.93Å; D59-R80 PolarHBondContact OD2-NE 2.97Å; D59-R80 IonicContact OD2-NH2 3.81Å; D59-R80 PolarHBondContact OD2-NH2 2.91Å; Q60-R80 WeakPolarHBondContact O-CA 3.38Å; L61-R80 HydrophobicContact CD1-CG 4.14Å; E78-R80 HydrophobicContact CG-CG 4.22Å; E78-R80 IonicContact OE1-NH1 3.5Å; R80-R90 CarbonylContact O-C 3.52Å; R80-R90 WeakPolarHBondContact O-CA 3.46Å; R80-R90 WeakPolarHBondContact O-CG 3.28Å; R80-F91 HydrophobicContact CB-CB 4.33Å; R80-F91 HydrophobicContact CB-CD1 4.49Å; R80-F91 HydrophobicContact CG-CD1 4.2Å; R80-F91 PolarHBondContact N-O 2.93Å; R80-F91 PolarHBondContact O-N 3.1Å
81	E	98.6	Very high	95.2	Very high	36 Å²	36	46.6 Å²	46.6	17%	0.168	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.7	177.4	179.5	168.2	105.5	0	0	111.6	Y30 D59 Q60 M62 C83 L88 V89 R90	Y30-E81 PolarHBondContact OH-N 3Å; D59-E81 CarbonylContact C-O 3.58Å; D59-E81 WeakPolarHBondContact CA-O 3.16Å; D59-E81 WeakPolarHBondContact CB-O 3.4Å; Q60-E81 PolarHBondContact N-O 3.19Å; Q60-E81 PolarHBondContact O-N 2.88Å; M62-E81 HydrophobicContact CG-CB 3.88Å; M62-E81 HydrophobicContact SD-CB 4.23Å; E81-C83 HydrophobicContact CG-CB 4.35Å; E81-L88 HydrophobicContact CG-CD1 3.69Å; E81-V89 WeakPolarHBondContact CA-O 3.38Å; E81-R90 IonicContact OE2-CZ 3.49Å; E81-R90 IonicContact OE2-NE 3.57Å; E81-R90 PolarHBondContact OE2-NE 2.7Å; E81-R90 IonicContact OE2-NH2 2.57Å; E81-R90 PolarHBondContact OE2-NH2 3.33Å
82	F	98.6	Very high	95.6	Very high	10 Å²	10	45.4 Å²	45.4	4%	0.044	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.2	163.3	173.1	-99.4	0	0	0	108.4	Y30 V34 L37 Q38 K58 D59 H87 L88 V89	Y30-F82 PolarHBondContact OH-N 3.18Å; V34-F82 HydrophobicContact CB-CB 4.46Å; V34-F82 HydrophobicContact CB-CG 4.48Å; V34-F82 HydrophobicContact CG1-CB 4.09Å; V34-F82 HydrophobicContact CG1-CD2 3.73Å; V34-F82 HydrophobicContact CG1-CE2 4.33Å; V34-F82 HydrophobicContact CG1-CG 3.9Å; V34-F82 HydrophobicContact CG2-CB 3.56Å; V34-F82 HydrophobicContact CG2-CD1 4.45Å; V34-F82 HydrophobicContact CG2-CG 4Å; L37-F82 HydrophobicContact CB-CE1 4.32Å; L37-F82 HydrophobicContact CD1-CD1 4.2Å; L37-F82 HydrophobicContact CD1-CE1 4.03Å; Q38-F82 HydrophobicContact CG-CE2 4.3Å; Q38-F82 HydrophobicContact CG-CZ 4.11Å; K58-F82 HydrophobicContact CB-CE2 4.43Å; D59-F82 HydrophobicContact CB-CB 3.9Å; D59-F82 HydrophobicContact CB-CD2 4.41Å; F82-H87 HydrophobicContact CE1-CB 4.37Å; F82-L88 WeakPolarHBondContact O-CA 3.22Å; F82-V89 HydrophobicContact CB-CB 4.46Å; F82-V89 HydrophobicContact CD1-CG2 4.38Å; F82-V89 PolarHBondContact N-O 2.99Å; F82-V89 PolarHBondContact O-N 3.09Å
83	C	97.9	Very high	96.2	Very high	79 Å²	79	41.1 Å²	41.1	53%	0.534	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.1	178.5	-171.1	0	0	0	0	109.6	E81 H87 L88	E81-C83 HydrophobicContact CG-CB 4.35Å; C83-H87 WeakPolarHBondContact CA-O 3.44Å; C83-L88 HydrophobicContact CB-CD1 3.98Å
84	S	96.4	Very high	96.6	Very high	44 Å²	44	34.9 Å²	34.9	31%	0.308	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	176.7	169.8	66	0	0	0	0	108.8	H86 H87	S84-H86 PolarHBondContact O-N 3.19Å; S84-H87 PolarHBondContact N-O 2.95Å; S84-H87 PolarHBondContact O-N 3.2Å; S84-H87 WeakPolarHBondContact OG-CB 3.22Å; S84-H87 PolarHBondContact OG-N 2.87Å; S84-H87 VanDerWaalsContact OG-N 3.15Å; S84-H87 PolarHBondContact OG-ND1 2.95Å; S84-H87 PolarHBondContact OG-O 3.18Å
85	D	95.4	Very high	96.9	Very high	153 Å²	153	32.2 Å²	32.2	82%	0.818	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-26.8	-179.8	-59.8	-15.1	0	0	0	114
86	H	96.5	Very high	97.2	Very high	86 Å²	86	32 Å²	32	40%	0.398	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-0.8	-174.3	-58.8	-53	0	0	0	114.8	H14 N15 S84	H14-H86 AromaticContact CD2-CG 3.79Å; H14-H86 AromaticContact CE1-ND1 3.84Å; H14-H86 AromaticContact NE2-CD2 3.73Å; H14-H86 AromaticContact NE2-CE1 3.86Å; H14-H86 AromaticContact NE2-CG 3.37Å; H14-H86 AromaticContact NE2-ND1 3.46Å; H14-H86 PolarHBondContact NE2-ND1 3.34Å; N15-H86 WeakPolarHBondContact CA-O 3.42Å; N15-H86 PolarHBondContact N-O 2.87Å; N15-H86 PolarHBondContact OD1-ND1 3.25Å; S84-H86 PolarHBondContact O-N 3.19Å
87	H	98.1	Very high	97.5	Very high	22 Å²	22	31.7 Å²	31.7	10%	0.102	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.6	-174	-43.8	86.8	0	0	0	110.2	Q10 L13 L37 F82 C83 S84	Q10-H87 WeakPolarHBondContact CA-NE2 3.28Å; Q10-H87 PolarHBondContact O-NE2 3.32Å; L13-H87 PolarHBondContact O-CD2 2.86Å; L13-H87 VanDerWaalsContact O-CD2 3.29Å; L37-H87 HydrophobicContact CD1-CB 4.41Å; F82-H87 HydrophobicContact CE1-CB 4.37Å; C83-H87 WeakPolarHBondContact CA-O 3.44Å; S84-H87 PolarHBondContact N-O 2.95Å; S84-H87 PolarHBondContact O-N 3.2Å; S84-H87 WeakPolarHBondContact OG-CB 3.22Å; S84-H87 PolarHBondContact OG-N 2.87Å; S84-H87 VanDerWaalsContact OG-N 3.15Å; S84-H87 PolarHBondContact OG-ND1 2.95Å; S84-H87 PolarHBondContact OG-O 3.18Å
88	L	98.4	Very high	97.7	Very high	29 Å²	29	31.4 Å²	31.4	15%	0.152	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.5	172.1	-179.4	60	0	0	0	108.6	K16 Y17 V18 E81 F82 C83	K16-L88 PolarHBondContact O-N 3.02Å; K16-L88 VanDerWaalsContact O-N 3.15Å; Y17-L88 CarbonylContact C-O 3.58Å; Y17-L88 WeakPolarHBondContact CA-O 3.25Å; Y17-L88 HydrophobicContact CD1-CD2 4.17Å; Y17-L88 HydrophobicContact CD2-CB 3.95Å; Y17-L88 HydrophobicContact CD2-CD2 3.51Å; Y17-L88 HydrophobicContact CD2-CG 3.46Å; Y17-L88 VanDerWaalsContact CD2-CG 3.46Å; Y17-L88 HydrophobicContact CE1-CD2 4.35Å; Y17-L88 HydrophobicContact CE2-CD2 3.71Å; Y17-L88 HydrophobicContact CE2-CG 3.72Å; Y17-L88 HydrophobicContact CG-CB 4.44Å; Y17-L88 HydrophobicContact CG-CD2 3.77Å; Y17-L88 HydrophobicContact CG-CG 4.15Å; V18-L88 PolarHBondContact N-O 2.69Å; E81-L88 HydrophobicContact CG-CD1 3.69Å; F82-L88 WeakPolarHBondContact O-CA 3.22Å; C83-L88 HydrophobicContact CB-CD1 3.98Å
89	V	98.8	Very high	97.7	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.4	173	-167.1	0	0	0	0	108.5	V18 V20 Y30 V34 L37 E81 F82	V18-V89 HydrophobicContact CB-CG1 4.24Å; V18-V89 HydrophobicContact CB-CG2 4.35Å; V18-V89 HydrophobicContact CG1-CG1 4.36Å; V18-V89 CarbonylContact O-C 3.57Å; V18-V89 VanDerWaalsContact O-CA 3.24Å; V18-V89 WeakPolarHBondContact O-CA 3.22Å; V20-V89 HydrophobicContact CG2-CG1 4.48Å; Y30-V89 HydrophobicContact CD2-CB 4.49Å; Y30-V89 HydrophobicContact CD2-CG1 3.64Å; Y30-V89 HydrophobicContact CE2-CB 4.16Å; Y30-V89 HydrophobicContact CE2-CG1 3.8Å; V34-V89 HydrophobicContact CG2-CB 4.48Å; L37-V89 HydrophobicContact CD1-CG2 3.66Å; E81-V89 WeakPolarHBondContact CA-O 3.38Å; F82-V89 HydrophobicContact CB-CB 4.46Å; F82-V89 HydrophobicContact CD1-CG2 4.38Å; F82-V89 PolarHBondContact N-O 2.99Å; F82-V89 PolarHBondContact O-N 3.09Å
90	R	98.8	Very high	97.6	Very high	49 Å²	49	40 Å²	40	19%	0.185	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.6	177.9	-165.1	176.9	-74.8	170.1	1.7	110.8	Y17 V18 V19 V20 V79 R80 E81 Y92 E108	Y17-R90 HydrophobicContact CE2-CB 3.83Å; Y17-R90 PolarHBondContact OH-NH1 3.08Å; V18-R90 PolarHBondContact O-N 2.74Å; V19-R90 CarbonylContact C-O 3.57Å; V19-R90 WeakPolarHBondContact CA-O 3.35Å; V20-R90 PolarHBondContact N-O 3.33Å; V79-R90 HydrophobicContact CG1-CG 4.33Å; R80-R90 CarbonylContact O-C 3.52Å; R80-R90 WeakPolarHBondContact O-CA 3.46Å; R80-R90 WeakPolarHBondContact O-CG 3.28Å; E81-R90 IonicContact OE2-CZ 3.49Å; E81-R90 IonicContact OE2-NE 3.57Å; E81-R90 PolarHBondContact OE2-NE 2.7Å; E81-R90 IonicContact OE2-NH2 2.57Å; E81-R90 PolarHBondContact OE2-NH2 3.33Å; R90-Y92 HydrophobicContact CB-CE2 4.36Å; R90-Y92 WeakPolarHBondContact CD-OH 3.41Å; R90-Y92 HydrophobicContact CG-CD2 4.43Å; R90-Y92 HydrophobicContact CG-CE2 3.75Å; R90-Y92 PolarHBondContact NH1-OH 3Å; R90-E108 IonicContact CZ-OE1 3.39Å; R90-E108 IonicContact NH1-OE1 3.72Å; R90-E108 PolarHBondContact NH1-OE1 3.11Å
91	F	98.8	Very high	97.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.3	176.8	168.1	-107.1	0	0	0	111.1	V20 H26 R27 Y30 E78 V79 R80 F93	V20-F91 HydrophobicContact CB-CD2 4.1Å; V20-F91 HydrophobicContact CG1-CD2 4.02Å; V20-F91 CarbonylContact O-C 3.59Å; V20-F91 VanDerWaalsContact O-CA 3.29Å; V20-F91 WeakPolarHBondContact O-CA 3.39Å; V20-F91 WeakPolarHBondContact O-CD2 3.12Å; H26-F91 HydrophobicContact CB-CE2 4.43Å; R27-F91 HydrophobicContact CB-CE1 3.84Å; R27-F91 HydrophobicContact CB-CE2 4.08Å; R27-F91 HydrophobicContact CB-CZ 3.54Å; R27-F91 HydrophobicContact CG-CD1 4.39Å; R27-F91 HydrophobicContact CG-CE1 3.88Å; R27-F91 HydrophobicContact CG-CZ 4.13Å; Y30-F91 HydrophobicContact CD1-CB 3.93Å; Y30-F91 HydrophobicContact CD1-CG 4.38Å; Y30-F91 HydrophobicContact CD2-CB 3.47Å; Y30-F91 VanDerWaalsContact CD2-CB 3.47Å; Y30-F91 HydrophobicContact CE1-CB 4.33Å; Y30-F91 HydrophobicContact CE2-CB 3.88Å; Y30-F91 HydrophobicContact CG-CB 3.48Å; Y30-F91 VanDerWaalsContact CG-CB 3.48Å; Y30-F91 HydrophobicContact CG-CG 4.1Å; E78-F91 HydrophobicContact CG-CE1 4.37Å; V79-F91 CarbonylContact C-O 3.54Å; V79-F91 VanDerWaalsContact CA-O 3.25Å; V79-F91 WeakPolarHBondContact CA-O 3.37Å; R80-F91 HydrophobicContact CB-CB 4.33Å; R80-F91 HydrophobicContact CB-CD1 4.49Å; R80-F91 HydrophobicContact CG-CD1 4.2Å; R80-F91 PolarHBondContact N-O 2.93Å; R80-F91 PolarHBondContact O-N 3.1Å; F91-F93 HydrophobicContact CE1-CB 3.84Å; F91-F93 HydrophobicContact CE1-CD2 4.21Å; F91-F93 HydrophobicContact CZ-CB 3.79Å; F91-F93 AromaticContact CZ-CD2 3.83Å; F91-F93 HydrophobicContact CZ-CD2 3.83Å; F91-F93 HydrophobicContact CZ-CG 4.25Å
92	Y	98.7	Very high	97.5	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.8	168.7	-53.3	-102.8	0	0	0	110.2	V19 V20 L21 G22 V79 R90 L94 V105 E108	V19-Y92 HydrophobicContact CG1-CD2 3.95Å; V19-Y92 HydrophobicContact CG1-CE2 3.83Å; V20-Y92 PolarHBondContact O-N 3.27Å; L21-Y92 HydrophobicContact CD2-CD2 3.52Å; L21-Y92 HydrophobicContact CD2-CE2 4.43Å; L21-Y92 HydrophobicContact CD2-CG 3.89Å; G22-Y92 PolarHBondContact N-O 2.7Å; G22-Y92 VanDerWaalsContact N-O 3.15Å; V79-Y92 HydrophobicContact CB-CD1 4.41Å; V79-Y92 HydrophobicContact CG1-CD1 3.93Å; V79-Y92 HydrophobicContact CG1-CE1 3.84Å; V79-Y92 HydrophobicContact CG2-CD1 3.65Å; V79-Y92 HydrophobicContact CG2-CE1 4.14Å; R90-Y92 HydrophobicContact CB-CE2 4.36Å; R90-Y92 WeakPolarHBondContact CD-OH 3.41Å; R90-Y92 HydrophobicContact CG-CD2 4.43Å; R90-Y92 HydrophobicContact CG-CE2 3.75Å; R90-Y92 PolarHBondContact NH1-OH 3Å; Y92-L94 PolarHBondContact O-N 3.12Å; Y92-V105 HydrophobicContact CD1-CB 4.4Å; Y92-V105 HydrophobicContact CD1-CG1 3.91Å; Y92-V105 HydrophobicContact CD1-CG2 3.57Å; Y92-V105 HydrophobicContact CD2-CG1 4.1Å; Y92-V105 HydrophobicContact CE1-CB 4.46Å; Y92-V105 HydrophobicContact CE1-CG1 3.92Å; Y92-V105 HydrophobicContact CE1-CG2 3.91Å; Y92-V105 HydrophobicContact CE2-CG1 4.08Å; Y92-V105 HydrophobicContact CG-CG1 3.99Å; Y92-V105 HydrophobicContact CG-CG2 4.2Å; Y92-E108 PolarHBondContact OH-OE1 3.3Å
93	F	97.9	Very high	97.5	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.4	175.7	-167.5	-76.4	0	0	0	111	G22 D23 S24 Y76 E78 F91 T95 Y101 W126	G22-F93 CarbonylContact O-C 3.54Å; G22-F93 VanDerWaalsContact O-CA 3.27Å; G22-F93 WeakPolarHBondContact O-CA 3.5Å; D23-F93 HydrophobicContact CB-CZ 4.32Å; S24-F93 VanDerWaalsContact N-CE2 3.33Å; Y76-F93 AromaticContact CD1-CD1 3.68Å; Y76-F93 HydrophobicContact CD1-CD1 3.68Å; Y76-F93 HydrophobicContact CD1-CD2 4.46Å; Y76-F93 AromaticContact CD1-CE1 3.86Å; Y76-F93 HydrophobicContact CD1-CE1 3.86Å; Y76-F93 HydrophobicContact CD1-CG 4.02Å; Y76-F93 HydrophobicContact CD1-CZ 4.34Å; Y76-F93 HydrophobicContact CE1-CD1 4.18Å; Y76-F93 HydrophobicContact CE1-CD2 4.19Å; Y76-F93 HydrophobicContact CE1-CE1 4.48Å; Y76-F93 HydrophobicContact CE1-CE2 4.49Å; Y76-F93 HydrophobicContact CE1-CG 4.04Å; E78-F93 HydrophobicContact CB-CB 3.75Å; E78-F93 PolarHBondContact O-N 3.4Å; F91-F93 HydrophobicContact CE1-CB 3.84Å; F91-F93 HydrophobicContact CE1-CD2 4.21Å; F91-F93 HydrophobicContact CZ-CB 3.79Å; F91-F93 AromaticContact CZ-CD2 3.83Å; F91-F93 HydrophobicContact CZ-CD2 3.83Å; F91-F93 HydrophobicContact CZ-CG 4.25Å; F93-T95 HydrophobicContact CD1-CG2 4.2Å; F93-T95 HydrophobicContact CE1-CG2 3.85Å; F93-Y101 WeakPolarHBondContact O-CE1 3.4Å; F93-W126 HydrophobicContact CE1-CZ2 4.36Å; F93-W126 HydrophobicContact CZ-CZ2 4.25Å
94	L	96.9	Very high	97.5	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.198	C	C	.	.			trans	-110.6	132.6	-179.9	-57.6	-174.1	0	0	0	111.4	L21 G22 Y92 Y101 M102 M121	L21-L94 HydrophobicContact CB-CD1 3.87Å; G22-L94 PolarHBondContact O-N 3.09Å; Y92-L94 PolarHBondContact O-N 3.12Å; L94-Y101 HydrophobicContact CD2-CD1 4.28Å; L94-Y101 HydrophobicContact CD2-CE1 3.94Å; L94-M102 HydrophobicContact CD1-SD 3.98Å; L94-M102 HydrophobicContact CD2-SD 3.84Å; L94-M121 HydrophobicContact CD1-CE 3.51Å
95	T	94.7	Very high	97.6	Very high	3 Å²	3	38 Å²	38	2%	0.018	18%	0.184	C	C	.	.	S	Bend	trans	-103.2	-13.2	167.8	55.5	0	0	0	0	112.2	T74 R77 F93 W126 Y131	T74-T95 WeakPolarHBondContact O-CB 3.26Å; T74-T95 PolarHBondContact O-OG1 3.23Å; R77-T95 PolarHBondContact NH1-OG1 3.34Å; F93-T95 HydrophobicContact CD1-CG2 4.2Å; F93-T95 HydrophobicContact CE1-CG2 3.85Å; T95-W126 HydrophobicContact CG2-CD2 4.21Å; T95-W126 HydrophobicContact CG2-CE3 3.71Å; T95-W126 HydrophobicContact CG2-CH2 4.25Å; T95-W126 HydrophobicContact CG2-CZ3 3.74Å; T95-W126 WeakPolarHBondContact O-CB 3.36Å; T95-Y131 WeakPolarHBondContact O-CE2 3.45Å; T95-Y131 PolarHBondContact O-OH 3.03Å; T95-Y131 PolarHBondContact OG1-OH 2.86Å
96	R	96.3	Very high	97.7	Very high	72 Å²	72	30.7 Å²	30.7	27%	0.272	15%	0.145	S	C	.	.	S	Bend	trans	-147.5	142.3	-179.3	-158.5	172.2	-176.1	175.8	-6.1	110.2	Y98 D127 Y131 N142	R96-Y98 VanDerWaalsContact C-N 3.29Å; R96-Y98 WeakPolarHBondContact CD-O 3.39Å; R96-Y98 WeakPolarHBondContact CG-O 3.41Å; R96-Y98 PolarHBondContact O-N 2.82Å; R96-D127 WeakPolarHBondContact CG-OD1 3.32Å; R96-Y131 HydrophobicContact CB-CE2 4.37Å; R96-Y131 HydrophobicContact CG-CE1 4.29Å; R96-Y131 HydrophobicContact CG-CE2 4.28Å; R96-N142 PolarHBondContact NE-ND2 3.23Å; R96-N142 PolarHBondContact NH2-ND2 3.12Å
97	V	97.9	Very high	97.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-65.7	-33.2	-177.4	71.6	0	0	0	0	112.8	M121 S123 D127 Y139 N142 L143 L146 W162	V97-M121 HydrophobicContact CG2-CE 4.45Å; V97-S123 VanDerWaalsContact CA-OG 3.27Å; V97-S123 WeakPolarHBondContact CA-OG 3.47Å; V97-S123 PolarHBondContact N-OG 3.04Å; V97-S123 VanDerWaalsContact N-OG 3.14Å; V97-D127 WeakPolarHBondContact CG1-OD1 3.34Å; V97-D127 PolarHBondContact N-OD1 2.92Å; V97-D127 PolarHBondContact N-OD2 3.1Å; V97-Y139 HydrophobicContact CB-CD2 4.21Å; V97-Y139 HydrophobicContact CB-CE2 3.94Å; V97-Y139 HydrophobicContact CG1-CD2 3.71Å; V97-Y139 HydrophobicContact CG1-CE2 3.88Å; V97-Y139 HydrophobicContact CG2-CE2 4.24Å; V97-N142 HydrophobicContact CG1-CB 3.51Å; V97-L143 HydrophobicContact CG2-CD1 3.6Å; V97-L146 HydrophobicContact CG2-CD2 3.52Å; V97-L146 WeakPolarHBondContact O-CD2 3.41Å; V97-W162 HydrophobicContact CG2-CH2 3.88Å; V97-W162 HydrophobicContact CG2-CZ3 4.4Å
98	Y	98.2	Very high	97.6	Very high	51 Å²	51	34.3 Å²	34.3	20%	0.2	16%	0.162	C	C	.	.	S	Bend	trans	-143.3	129.9	175.4	-165.9	-111.9	0	0	0	109.6	R96 E103 N142 L146 R149	R96-Y98 VanDerWaalsContact C-N 3.29Å; R96-Y98 WeakPolarHBondContact CD-O 3.39Å; R96-Y98 WeakPolarHBondContact CG-O 3.41Å; R96-Y98 PolarHBondContact O-N 2.82Å; Y98-E103 HydrophobicContact CE2-CG 4.24Å; Y98-E103 WeakPolarHBondContact CE2-OE1 3.48Å; Y98-E103 VanDerWaalsContact CZ-OE1 3.27Å; Y98-E103 PolarHBondContact OH-OE1 2.91Å; Y98-N142 VanDerWaalsContact CB-O 3.27Å; Y98-N142 WeakPolarHBondContact CB-O 3.33Å; Y98-N142 PolarHBondContact O-ND2 3.21Å; Y98-L146 HydrophobicContact CD2-CB 3.86Å; Y98-L146 HydrophobicContact CD2-CD1 4.09Å; Y98-L146 HydrophobicContact CG-CB 4.42Å; Y98-R149 HydrophobicContact CE2-CB 4.44Å; Y98-R149 HydrophobicContact CE2-CG 3.95Å; Y98-R149 WeakPolarHBondContact OH-CG 3.5Å
99	S	97.1	Very high	97.5	Very high	27 Å²	27	33.3 Å²	33.3	19%	0.189	16%	0.156	C	C	.	.	S	Bend	trans	-164.2	169.9	-177	60.1	0	0	0	0	109.3	Y101 M102 E103	S99-Y101 PolarHBondContact O-N 3.04Å; S99-M102 WeakPolarHBondContact O-CA 3.49Å; S99-M102 WeakPolarHBondContact O-CB 3.46Å; S99-M102 PolarHBondContact O-N 3.15Å; S99-M102 PolarHBondContact OG-N 2.88Å; S99-E103 PolarHBondContact O-N 3.17Å
100	E	97.4	Very high	97.4	Very high	165 Å²	165	38.7 Å²	38.7	77%	0.771	18%	0.181	S	C	*	.	H	α-helix	trans	-54.3	-40.1	172.6	-64.2	179.9	169.7	0	0	111.9	M102 E103 T104	E100-M102 VanDerWaalsContact C-N 3.3Å; E100-M102 PolarHBondContact O-N 3.07Å; E100-E103 WeakPolarHBondContact O-CB 3.3Å; E100-E103 PolarHBondContact O-N 2.91Å; E100-E103 VanDerWaalsContact O-N 3.16Å; E100-T104 WeakPolarHBondContact O-CG2 3.26Å; E100-T104 PolarHBondContact O-N 2.85Å
101	Y	97.3	Very high	97.1	Very high	23 Å²	23	41.1 Å²	41.1	9%	0.09	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-41.3	174.7	173.5	-120.3	0	0	0	112.2	R77 V79 F93 L94 S99 E103 T104 V105	R77-Y101 VanDerWaalsContact CD-CD1 3.45Å; R77-Y101 VanDerWaalsContact CD-CE1 3.49Å; R77-Y101 HydrophobicContact CG-CE2 4.49Å; R77-Y101 VanDerWaalsContact NE-CG 3.27Å; V79-Y101 WeakPolarHBondContact CG2-OH 3.5Å; F93-Y101 WeakPolarHBondContact O-CE1 3.4Å; L94-Y101 HydrophobicContact CD2-CD1 4.28Å; L94-Y101 HydrophobicContact CD2-CE1 3.94Å; S99-Y101 PolarHBondContact O-N 3.04Å; Y101-E103 VanDerWaalsContact C-N 3.31Å; Y101-E103 PolarHBondContact O-N 2.62Å; Y101-T104 PolarHBondContact O-N 3.08Å; Y101-T104 PolarHBondContact O-OG1 3.12Å; Y101-V105 HydrophobicContact CD2-CG2 4.28Å; Y101-V105 HydrophobicContact CE1-CG2 4.19Å; Y101-V105 HydrophobicContact CE2-CG2 3.78Å; Y101-V105 WeakPolarHBondContact O-CG2 3.4Å; Y101-V105 PolarHBondContact O-N 3.5Å
102	M	97.9	Very high	96.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-36.5	177.7	-168.5	63	-124	0	0	111.4	L21 L94 S99 E100 V105 L106 M121 L146 M150	L21-M102 HydrophobicContact CD1-CE 4.05Å; L21-M102 HydrophobicContact CD2-CE 4.44Å; L94-M102 HydrophobicContact CD1-SD 3.98Å; L94-M102 HydrophobicContact CD2-SD 3.84Å; S99-M102 WeakPolarHBondContact O-CA 3.49Å; S99-M102 WeakPolarHBondContact O-CB 3.46Å; S99-M102 PolarHBondContact O-N 3.15Å; S99-M102 PolarHBondContact OG-N 2.88Å; E100-M102 VanDerWaalsContact C-N 3.3Å; E100-M102 PolarHBondContact O-N 3.07Å; M102-V105 HydrophobicContact CE-CB 3.86Å; M102-V105 HydrophobicContact CE-CG1 3.68Å; M102-V105 PolarHBondContact O-N 2.96Å; M102-L106 HydrophobicContact CE-CD2 3.75Å; M102-L106 HydrophobicContact CE-CG 3.78Å; M102-L106 WeakPolarHBondContact O-CG 3.48Å; M102-L106 PolarHBondContact O-N 3.09Å; M102-M121 HydrophobicContact SD-CE 4.33Å; M102-L146 HydrophobicContact CG-CD1 3.7Å; M102-L146 HydrophobicContact SD-CD1 4.44Å; M102-M150 HydrophobicContact CE-CE 4.47Å
103	E	98.2	Very high	96.3	Very high	31 Å²	31	49.2 Å²	49.2	15%	0.145	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-44.6	171.8	-78	-62.1	128.8	0	0	111.6	Y98 S99 E100 Y101 V105 L106 E107 R149	Y98-E103 HydrophobicContact CE2-CG 4.24Å; Y98-E103 WeakPolarHBondContact CE2-OE1 3.48Å; Y98-E103 VanDerWaalsContact CZ-OE1 3.27Å; Y98-E103 PolarHBondContact OH-OE1 2.91Å; S99-E103 PolarHBondContact O-N 3.17Å; E100-E103 WeakPolarHBondContact O-CB 3.3Å; E100-E103 PolarHBondContact O-N 2.91Å; E100-E103 VanDerWaalsContact O-N 3.16Å; Y101-E103 VanDerWaalsContact C-N 3.31Å; Y101-E103 PolarHBondContact O-N 2.62Å; E103-V105 PolarHBondContact O-N 3.15Å; E103-L106 PolarHBondContact O-N 2.87Å; E103-E107 WeakPolarHBondContact O-CG 3.45Å; E103-E107 PolarHBondContact O-N 3.44Å; E103-R149 WeakPolarHBondContact OE1-CG 3.26Å; E103-R149 IonicContact OE1-NE 3.57Å; E103-R149 PolarHBondContact OE1-NE 3.27Å; E103-R149 VanDerWaalsContact OE1-NE 3.12Å; E103-R149 IonicContact OE2-CZ 3.69Å; E103-R149 IonicContact OE2-NE 2.73Å; E103-R149 PolarHBondContact OE2-NE 2.81Å; E103-R149 IonicContact OE2-NH2 3.78Å; E103-R149 PolarHBondContact OE2-NH2 3.45Å
104	T	97.8	Very high	96	Very high	72 Å²	72	55 Å²	55	44%	0.442	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-35.7	175.6	64.3	0	0	0	0	112.5	E100 Y101 E108	E100-T104 WeakPolarHBondContact O-CG2 3.26Å; E100-T104 PolarHBondContact O-N 2.85Å; Y101-T104 PolarHBondContact O-N 3.08Å; Y101-T104 PolarHBondContact O-OG1 3.12Å; T104-E108 WeakPolarHBondContact O-CB 3.34Å; T104-E108 PolarHBondContact O-N 2.88Å
105	V	97.9	Very high	95.9	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-67.8	-43.3	174.6	172.8	0	0	0	0	110.7	L21 Y92 Y101 M102 E103 E108 L109	L21-V105 HydrophobicContact CD2-CG1 4.12Å; Y92-V105 HydrophobicContact CD1-CB 4.4Å; Y92-V105 HydrophobicContact CD1-CG1 3.91Å; Y92-V105 HydrophobicContact CD1-CG2 3.57Å; Y92-V105 HydrophobicContact CD2-CG1 4.1Å; Y92-V105 HydrophobicContact CE1-CB 4.46Å; Y92-V105 HydrophobicContact CE1-CG1 3.92Å; Y92-V105 HydrophobicContact CE1-CG2 3.91Å; Y92-V105 HydrophobicContact CE2-CG1 4.08Å; Y92-V105 HydrophobicContact CG-CG1 3.99Å; Y92-V105 HydrophobicContact CG-CG2 4.2Å; Y101-V105 HydrophobicContact CD2-CG2 4.28Å; Y101-V105 HydrophobicContact CE1-CG2 4.19Å; Y101-V105 HydrophobicContact CE2-CG2 3.78Å; Y101-V105 WeakPolarHBondContact O-CG2 3.4Å; Y101-V105 PolarHBondContact O-N 3.5Å; M102-V105 HydrophobicContact CE-CB 3.86Å; M102-V105 HydrophobicContact CE-CG1 3.68Å; M102-V105 PolarHBondContact O-N 2.96Å; E103-V105 PolarHBondContact O-N 3.15Å; V105-E108 PolarHBondContact O-N 3.37Å; V105-L109 HydrophobicContact CG1-CD1 4.2Å; V105-L109 HydrophobicContact CG1-CG 4.46Å; V105-L109 VanDerWaalsContact O-CG 3.28Å; V105-L109 WeakPolarHBondContact O-CG 3.41Å; V105-L109 PolarHBondContact O-N 2.91Å
106	L	98.1	Very high	96.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-41.2	177.1	-68.6	178.3	0	0	0	111.8	M102 E103 L109 Q110 L146 R149 M150 V153	M102-L106 HydrophobicContact CE-CD2 3.75Å; M102-L106 HydrophobicContact CE-CG 3.78Å; M102-L106 WeakPolarHBondContact O-CG 3.48Å; M102-L106 PolarHBondContact O-N 3.09Å; E103-L106 PolarHBondContact O-N 2.87Å; L106-L109 PolarHBondContact O-N 3.35Å; L106-Q110 WeakPolarHBondContact O-CB 3.39Å; L106-Q110 PolarHBondContact O-N 3.36Å; L106-L146 HydrophobicContact CD1-CD1 4.43Å; L106-R149 HydrophobicContact CD1-CB 3.74Å; L106-M150 HydrophobicContact CD2-CE 4.26Å; L106-M150 HydrophobicContact CD2-CG 4.03Å; L106-V153 HydrophobicContact CB-CG1 4.34Å; L106-V153 HydrophobicContact CB-CG2 4.43Å; L106-V153 WeakPolarHBondContact O-CG1 3.49Å
107	E	97.4	Very high	96.2	Very high	102 Å²	102	56.1 Å²	56.1	48%	0.477	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-42	174.9	-71.5	171.6	176.2	0	0	112	E103 Q110 S111	E103-E107 WeakPolarHBondContact O-CG 3.45Å; E103-E107 PolarHBondContact O-N 3.44Å; E107-Q110 PolarHBondContact O-N 3.48Å; E107-S111 WeakPolarHBondContact O-CB 3.44Å; E107-S111 PolarHBondContact O-N 2.92Å; E107-S111 PolarHBondContact O-OG 3.44Å
108	E	96.1	Very high	96.2	Very high	81 Å²	81	56.1 Å²	56.1	38%	0.379	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-43.4	174.9	-171.4	-172.3	123.7	0	0	111.4	R90 Y92 T104 V105 Q110 G112	R90-E108 IonicContact CZ-OE1 3.39Å; R90-E108 IonicContact NH1-OE1 3.72Å; R90-E108 PolarHBondContact NH1-OE1 3.11Å; Y92-E108 PolarHBondContact OH-OE1 3.3Å; T104-E108 WeakPolarHBondContact O-CB 3.34Å; T104-E108 PolarHBondContact O-N 2.88Å; V105-E108 PolarHBondContact O-N 3.37Å; E108-Q110 VanDerWaalsContact C-N 3.29Å; E108-Q110 PolarHBondContact O-N 2.97Å; E108-G112 WeakPolarHBondContact O-CA 3.36Å; E108-G112 PolarHBondContact O-N 3.28Å
109	L	96.1	Very high	96.2	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-31.5	176.2	-67.4	176.2	0	0	0	112.5	Y17 V19 V105 L106 P116 I119	Y17-L109 HydrophobicContact CE1-CD2 4.33Å; V19-L109 HydrophobicContact CG1-CD2 4.44Å; V19-L109 HydrophobicContact CG2-CD2 3.89Å; V105-L109 HydrophobicContact CG1-CD1 4.2Å; V105-L109 HydrophobicContact CG1-CG 4.46Å; V105-L109 VanDerWaalsContact O-CG 3.28Å; V105-L109 WeakPolarHBondContact O-CG 3.41Å; V105-L109 PolarHBondContact O-N 2.91Å; L106-L109 PolarHBondContact O-N 3.35Å; L109-P116 HydrophobicContact CD2-CG 4.47Å; L109-I119 HydrophobicContact CD1-CD1 3.85Å
110	Q	95.3	Very high	96.3	Very high	116 Å²	116	52.4 Å²	52.4	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-75.9	-41.8	178.6	-161.4	174.3	15.8	0	0	112.7	L106 E107 E108 V153	L106-Q110 WeakPolarHBondContact O-CB 3.39Å; L106-Q110 PolarHBondContact O-N 3.36Å; E107-Q110 PolarHBondContact O-N 3.48Å; E108-Q110 VanDerWaalsContact C-N 3.29Å; E108-Q110 PolarHBondContact O-N 2.97Å; Q110-V153 HydrophobicContact CB-CG1 3.81Å; Q110-V153 HydrophobicContact CG-CG1 4.16Å
111	S	94	Very high	96.3	Very high	101 Å²	101	44.6 Å²	44.6	71%	0.706	25%	0.254	S	S	*	.	H	α-helix	trans	-90	-13.2	-174.9	60.6	0	0	0	0	113.6	E107	E107-S111 WeakPolarHBondContact O-CB 3.44Å; E107-S111 PolarHBondContact O-N 2.92Å; E107-S111 PolarHBondContact O-OG 3.44Å
112	G	90.9	Very high	96.4	Very high	37 Å²	37	43.7 Å²	43.7	38%	0.381	25%	0.251	S	S	.	.	S	Bend	trans	-59.3	151.4	178.4	0	0	0	0	0	113.2	E108 H114	E108-G112 WeakPolarHBondContact O-CA 3.36Å; E108-G112 PolarHBondContact O-N 3.28Å; G112-H114 PolarHBondContact O-N 3.2Å; G112-H114 VanDerWaalsContact O-N 3.17Å
113	T	89.7	Confident	96.2	Very high	133 Å²	133	43.9 Å²	43.9	82%	0.816	25%	0.252	S	S	*	.	S	Bend	trans	-58.4	-30.7	-179.5	-48.6	0	0	0	0	112.9
114	H	91.8	Very high	96.1	Very high	129 Å²	129	42.5 Å²	42.5	60%	0.597	25%	0.246	S	C	*	.	S	Bend	trans	-127.1	128.6	179	-56.8	-60.4	0	0	0	109.7	G112	G112-H114 PolarHBondContact O-N 3.2Å; G112-H114 VanDerWaalsContact O-N 3.17Å
115	A	94.7	Very high	95.9	Very high	54 Å²	54	39.7 Å²	39.7	45%	0.446	23%	0.228	S	C	.	.			trans	-75.1	147.6	172.7	0	0	0	0	0	110.4	P155	A115-P155 HydrophobicContact CB-CG 3.81Å
116	P	97.7	Very high	95.7	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.019	23%	0.232	C	C	.	.			trans	-65.6	135.6	178	26.6	-34.3	0	0	0	111.6	Y17 V19 L109 I119 L154 C158	Y17-P116 HydrophobicContact CD1-CB 4.08Å; Y17-P116 HydrophobicContact CE1-CB 4.29Å; V19-P116 HydrophobicContact CG2-CB 3.86Å; L109-P116 HydrophobicContact CD2-CG 4.47Å; P116-I119 HydrophobicContact CB-CD1 4.36Å; P116-I119 HydrophobicContact CB-CG1 4.31Å; P116-I119 HydrophobicContact CG-CD1 4.23Å; P116-I119 HydrophobicContact CG-CG1 4.25Å; P116-L154 HydrophobicContact CG-CD2 3.92Å; P116-C158 WeakPolarHBondContact O-CB 3.32Å; P116-C158 PolarHBondContact O-SG 2.68Å
117	D	98.3	Very high	95.5	Very high	44 Å²	44	40.9 Å²	40.9	24%	0.235	23%	0.232	C	C	.	.	S	Bend	trans	-77.7	-34.9	169.2	-69.5	-93.1	0	0	0	111.2	K16 Y17 L159	K16-D117 WeakPolarHBondContact CA-OD2 3.39Å; K16-D117 HydrophobicContact CB-CB 4.45Å; K16-D117 HydrophobicContact CD-CB 3.84Å; K16-D117 VanDerWaalsContact CD-CG 3.41Å; K16-D117 WeakPolarHBondContact CD-OD1 3.24Å; K16-D117 IonicContact NZ-OD1 3.65Å; K16-D117 PolarHBondContact NZ-OD1 2.89Å; Y17-D117 PolarHBondContact N-OD2 3.15Å; Y17-D117 PolarHBondContact O-N 3.42Å; D117-L159 PolarHBondContact O-N 2.75Å
118	V	98.5	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.7	-178.7	-169.4	0	0	0	0	111	Y17 V18 V19 I120 L159 V161 M251 W255	Y17-V118 PolarHBondContact O-N 3.43Å; V18-V118 HydrophobicContact CG1-CB 4.49Å; V18-V118 HydrophobicContact CG2-CB 4.47Å; V19-V118 PolarHBondContact N-O 2.96Å; V118-I120 HydrophobicContact CG1-CG1 4.15Å; V118-L159 CarbonylContact C-O 3.56Å; V118-L159 VanDerWaalsContact CA-O 3.3Å; V118-L159 WeakPolarHBondContact CA-O 3.36Å; V118-L159 HydrophobicContact CG1-CB 4.47Å; V118-L159 HydrophobicContact CG1-CD2 4.49Å; V118-L159 WeakPolarHBondContact CG1-O 3.25Å; V118-L159 HydrophobicContact CG2-CB 4.38Å; V118-V161 HydrophobicContact CG1-CG2 4.44Å; V118-M251 HydrophobicContact CG1-CE 3.78Å; V118-M251 HydrophobicContact CG1-CG 4.5Å; V118-M251 HydrophobicContact CG2-CG 4.49Å; V118-W255 HydrophobicContact CG2-CH2 3.68Å; V118-W255 HydrophobicContact CG2-CZ2 3.37Å
119	I	98.6	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.7	166.6	-68.4	-90	0	0	0	107.8	V19 L21 L109 P116 M121 M150 L154 L159 L160 V161	V19-I119 HydrophobicContact CB-CD1 3.64Å; V19-I119 HydrophobicContact CG1-CD1 3.73Å; V19-I119 HydrophobicContact CG2-CD1 4.33Å; V19-I119 CarbonylContact O-C 3.59Å; V19-I119 WeakPolarHBondContact O-CA 3.49Å; L21-I119 HydrophobicContact CD1-CD1 4.15Å; L21-I119 HydrophobicContact CD1-CG2 3.91Å; L109-I119 HydrophobicContact CD1-CD1 3.85Å; P116-I119 HydrophobicContact CB-CD1 4.36Å; P116-I119 HydrophobicContact CB-CG1 4.31Å; P116-I119 HydrophobicContact CG-CD1 4.23Å; P116-I119 HydrophobicContact CG-CG1 4.25Å; I119-M121 HydrophobicContact CG2-CB 4.14Å; I119-M150 HydrophobicContact CG2-CE 4.33Å; I119-L154 HydrophobicContact CD1-CD2 4.4Å; I119-L154 HydrophobicContact CG1-CD1 4.14Å; I119-L154 HydrophobicContact CG1-CD2 4.26Å; I119-L159 PolarHBondContact N-O 2.99Å; I119-L160 HydrophobicContact CB-CG 4.26Å; I119-L160 HydrophobicContact CG2-CD1 4.48Å; I119-L160 HydrophobicContact CG2-CG 4.1Å; I119-V161 PolarHBondContact O-N 3.13Å
120	I	98.8	Very high	94.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.3	170.1	-58.2	156.4	0	0	0	107.2	V18 V19 V20 L21 L33 V118 N163 L247 M251	V18-I120 HydrophobicContact CG1-CD1 3.79Å; V19-I120 PolarHBondContact O-N 2.93Å; V20-I120 CarbonylContact C-O 3.57Å; V20-I120 WeakPolarHBondContact CA-O 3.28Å; V20-I120 HydrophobicContact CG2-CB 4.48Å; V20-I120 HydrophobicContact CG2-CD1 4.02Å; L21-I120 PolarHBondContact N-O 2.75Å; L33-I120 HydrophobicContact CD1-CD1 3.93Å; V118-I120 HydrophobicContact CG1-CG1 4.15Å; I120-N163 WeakPolarHBondContact CG2-ND2 3.33Å; I120-L247 HydrophobicContact CD1-CD1 4Å; I120-L247 HydrophobicContact CG1-CD1 4.35Å; I120-L247 HydrophobicContact CG1-CD2 4.3Å; I120-L247 HydrophobicContact CG2-CD1 3.83Å; I120-L247 HydrophobicContact CG2-CD2 4.02Å; I120-M251 HydrophobicContact CD1-CE 3.61Å; I120-M251 HydrophobicContact CG1-CE 3.9Å
121	M	98.3	Very high	94.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.8	-173.6	-172.7	168.1	-172.8	0	0	113.5	L21 L94 V97 M102 I119 L146 M150 V161 W162 N163	L21-M121 HydrophobicContact CB-CB 4.06Å; L21-M121 HydrophobicContact CB-CE 4.48Å; L21-M121 HydrophobicContact CB-CG 3.74Å; L21-M121 HydrophobicContact CB-SD 4.2Å; L21-M121 HydrophobicContact CD1-CB 4.47Å; L21-M121 HydrophobicContact CD1-CE 4.45Å; L21-M121 HydrophobicContact CD1-CG 4.3Å; L21-M121 HydrophobicContact CD1-SD 3.78Å; L21-M121 VanDerWaalsContact O-CA 3.3Å; L21-M121 WeakPolarHBondContact O-CA 3.35Å; L94-M121 HydrophobicContact CD1-CE 3.51Å; V97-M121 HydrophobicContact CG2-CE 4.45Å; M102-M121 HydrophobicContact SD-CE 4.33Å; I119-M121 HydrophobicContact CG2-CB 4.14Å; M121-L146 HydrophobicContact CE-CD1 4.29Å; M121-L146 HydrophobicContact CE-CD2 3.29Å; M121-L146 HydrophobicContact CE-CG 4.4Å; M121-L146 HydrophobicContact SD-CD2 3.75Å; M121-M150 HydrophobicContact CE-CE 4.32Å; M121-M150 HydrophobicContact SD-CE 3.32Å; M121-M150 WeakPolarHBondContact SD-CE 3.47Å; M121-M150 HydrophobicContact SD-SD 4.1Å; M121-V161 PolarHBondContact N-O 3.04Å; M121-W162 HydrophobicContact CB-CE3 4.1Å; M121-W162 HydrophobicContact CB-CZ3 4.32Å; M121-W162 HydrophobicContact CE-CZ3 4.2Å; M121-W162 HydrophobicContact CG-CE3 3.96Å; M121-W162 HydrophobicContact CG-CZ3 3.66Å; M121-W162 HydrophobicContact SD-CE3 4.34Å; M121-W162 HydrophobicContact SD-CZ3 3.85Å; M121-N163 PolarHBondContact O-N 3.41Å
122	N	97.7	Very high	93.8	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.027	17%	0.172	C	C	.	.			trans	-135.9	139.3	156.2	177.2	-99.8	0	0	0	109.4	L21 G22 H26 N163 T164 A165	L21-N122 PolarHBondContact O-N 3.21Å; G22-N122 WeakPolarHBondContact CA-O 3.44Å; H26-N122 WeakPolarHBondContact CE1-CB 3.31Å; H26-N122 VanDerWaalsContact NE2-CB 3.26Å; H26-N122 WeakPolarHBondContact NE2-CB 3.46Å; H26-N122 PolarHBondContact NE2-N 3.15Å; N122-N163 HydrophobicContact CB-CB 4.15Å; N122-N163 WeakPolarHBondContact CB-O 3.36Å; N122-N163 PolarHBondContact ND2-O 2.94Å; N122-T164 VanDerWaalsContact ND2-C 3.3Å; N122-A165 PolarHBondContact ND2-N 3.42Å; N122-A165 VanDerWaalsContact ND2-N 3.2Å
123	S	94.5	Very high	93.5	Very high	4 Å²	4	35 Å²	35	3%	0.028	18%	0.184	C	C	.	.			trans	-147	118	162.9	-166.4	0	0	0	0	107.7	V97 D127 Y139	V97-S123 VanDerWaalsContact CA-OG 3.27Å; V97-S123 WeakPolarHBondContact CA-OG 3.47Å; V97-S123 PolarHBondContact N-OG 3.04Å; V97-S123 VanDerWaalsContact N-OG 3.14Å; S123-D127 PolarHBondContact OG-OD2 3.01Å; S123-Y139 WeakPolarHBondContact O-CE2 3.5Å; S123-Y139 PolarHBondContact O-OH 3.21Å
124	C	95.8	Very high	93.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.175	C	C	.	.			trans	-158.3	-59.5	-176.6	174.2	0	0	0	0	112.2	W126 D127 V128 A165	C124-W126 PolarHBondContact O-N 3.25Å; C124-D127 PolarHBondContact O-N 3.13Å; C124-V128 WeakPolarHBondContact O-CG2 3.45Å; C124-V128 PolarHBondContact O-N 2.79Å; C124-A165 HydrophobicContact CB-CB 3.83Å
125	L	94.1	Very high	93.4	Very high	14 Å²	14	28.2 Å²	28.2	7%	0.073	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-46.9	-168.5	179.4	59.5	0	0	0	111.6	S129 L168 L192 V196 V233	L125-S129 WeakPolarHBondContact O-CB 3.24Å; L125-S129 PolarHBondContact O-N 3.07Å; L125-S129 VanDerWaalsContact O-N 3.15Å; L125-S129 PolarHBondContact O-OG 3.2Å; L125-L168 HydrophobicContact CD1-CD1 3.95Å; L125-L168 HydrophobicContact CD1-CD2 4.1Å; L125-L168 HydrophobicContact CD2-CD2 4.17Å; L125-L192 HydrophobicContact CD1-CD1 4.29Å; L125-L192 HydrophobicContact CD1-CD2 4.2Å; L125-L192 HydrophobicContact CD1-CG 4.47Å; L125-V196 HydrophobicContact CD1-CG2 4.28Å; L125-V233 HydrophobicContact CD2-CB 4.4Å; L125-V233 HydrophobicContact CD2-CG1 3.48Å; L125-V233 VanDerWaalsContact CD2-CG1 3.48Å; L125-V233 HydrophobicContact CD2-CG2 4.02Å
126	W	93.2	Very high	93.3	Very high	23 Å²	23	27 Å²	27	9%	0.087	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-48.9	177	-79.8	77.3	0	0	0	112	T74 F93 T95 C124 V128 S129 R130 Y131	T74-W126 HydrophobicContact CG2-CE3 4.45Å; T74-W126 HydrophobicContact CG2-CZ3 4.33Å; F93-W126 HydrophobicContact CE1-CZ2 4.36Å; F93-W126 HydrophobicContact CZ-CZ2 4.25Å; T95-W126 HydrophobicContact CG2-CD2 4.21Å; T95-W126 HydrophobicContact CG2-CE3 3.71Å; T95-W126 HydrophobicContact CG2-CH2 4.25Å; T95-W126 HydrophobicContact CG2-CZ3 3.74Å; T95-W126 WeakPolarHBondContact O-CB 3.36Å; C124-W126 PolarHBondContact O-N 3.25Å; W126-V128 PolarHBondContact O-N 3.04Å; W126-S129 PolarHBondContact O-N 3.01Å; W126-S129 PolarHBondContact O-OG 3.23Å; W126-R130 VanDerWaalsContact CE3-CD 3.42Å; W126-R130 HydrophobicContact CE3-CG 4.25Å; W126-R130 VanDerWaalsContact CZ3-CD 3.48Å; W126-R130 PolarHBondContact O-N 3.04Å; W126-Y131 WeakPolarHBondContact O-CD2 3.18Å
127	D	94.4	Very high	93.2	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-53.6	-50.2	179	-68.9	-102.1	0	0	0	112.5	R96 V97 S123 C124 S129 S135 Y139	R96-D127 WeakPolarHBondContact CG-OD1 3.32Å; V97-D127 WeakPolarHBondContact CG1-OD1 3.34Å; V97-D127 PolarHBondContact N-OD1 2.92Å; V97-D127 PolarHBondContact N-OD2 3.1Å; S123-D127 PolarHBondContact OG-OD2 3.01Å; C124-D127 PolarHBondContact O-N 3.13Å; D127-S129 PolarHBondContact O-N 3.31Å; D127-S135 WeakPolarHBondContact O-CB 3.37Å; D127-Y139 HydrophobicContact CB-CD2 3.41Å; D127-Y139 VanDerWaalsContact CB-CD2 3.41Å; D127-Y139 HydrophobicContact CB-CE2 4.08Å; D127-Y139 HydrophobicContact CB-CG 4.15Å
128	V	93.3	Very high	93.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-83.6	-10.8	-173.7	-54.4	0	0	0	0	114.5	C124 W126 S135 L136 Y139 L192 R195 V196 A199	C124-V128 WeakPolarHBondContact O-CG2 3.45Å; C124-V128 PolarHBondContact O-N 2.79Å; W126-V128 PolarHBondContact O-N 3.04Å; V128-S135 PolarHBondContact O-OG 2.81Å; V128-L136 HydrophobicContact CG1-CD1 3.97Å; V128-Y139 HydrophobicContact CG1-CG 4.43Å; V128-L192 HydrophobicContact CG2-CD1 3.84Å; V128-R195 HydrophobicContact CB-CB 4.22Å; V128-R195 HydrophobicContact CG2-CB 4.29Å; V128-R195 PolarHBondContact O-NH1 3.26Å; V128-V196 HydrophobicContact CG2-CG2 3.84Å; V128-A199 HydrophobicContact CG1-CB 3.9Å
129	S	88.9	Confident	93.1	Very high	8 Å²	8	29.4 Å²	29.4	6%	0.056	15%	0.154	C	C	.	.	H	α-helix	trans	-107.1	-31.9	-177.4	66.9	0	0	0	0	114.4	L125 W126 D127 P178	L125-S129 WeakPolarHBondContact O-CB 3.24Å; L125-S129 PolarHBondContact O-N 3.07Å; L125-S129 VanDerWaalsContact O-N 3.15Å; L125-S129 PolarHBondContact O-OG 3.2Å; W126-S129 PolarHBondContact O-N 3.01Å; W126-S129 PolarHBondContact O-OG 3.23Å; D127-S129 PolarHBondContact O-N 3.31Å; S129-P178 WeakPolarHBondContact O-CD 3.38Å; S129-P178 VanDerWaalsContact O-CG 3.23Å; S129-P178 WeakPolarHBondContact O-CG 3.32Å
130	R	86.9	Confident	93	Very high	49 Å²	49	34.3 Å²	34.3	19%	0.185	17%	0.172	C	C	.	.	H	α-helix	trans	-110	-16.7	-167.9	-58.2	-152.6	-178.2	-148.7	-5.2	116	N72 T74 W126 G132 A175	N72-R130 PolarHBondContact O-NH1 2.9Å; T74-R130 HydrophobicContact CG2-CB 4.21Å; W126-R130 VanDerWaalsContact CE3-CD 3.42Å; W126-R130 HydrophobicContact CE3-CG 4.25Å; W126-R130 VanDerWaalsContact CZ3-CD 3.48Å; W126-R130 PolarHBondContact O-N 3.04Å; R130-G132 VanDerWaalsContact C-N 3.34Å; R130-G132 PolarHBondContact O-N 2.98Å; R130-A175 PolarHBondContact NH2-O 3.06Å
131	Y	88.2	Confident	93	Very high	55 Å²	55	39.9 Å²	39.9	22%	0.216	20%	0.198	C	C	.	.	S	Bend	trans	-97.2	41.4	-174.1	-62.9	-90.4	0	0	0	113.3	T74 T95 R96 W126	T74-Y131 HydrophobicContact CG2-CE1 4.2Å; T74-Y131 HydrophobicContact CG2-CE2 4.34Å; T95-Y131 WeakPolarHBondContact O-CE2 3.45Å; T95-Y131 PolarHBondContact O-OH 3.03Å; T95-Y131 PolarHBondContact OG1-OH 2.86Å; R96-Y131 HydrophobicContact CB-CE2 4.37Å; R96-Y131 HydrophobicContact CG-CE1 4.29Å; R96-Y131 HydrophobicContact CG-CE2 4.28Å; W126-Y131 WeakPolarHBondContact O-CD2 3.18Å
132	G	85.9	Confident	93	Very high	40 Å²	40	41 Å²	41	41%	0.412	20%	0.204	S	C	.	.			trans	69.5	-161.9	172.8	0	0	0	0	0	115.4	R130 N134 S135	R130-G132 VanDerWaalsContact C-N 3.34Å; R130-G132 PolarHBondContact O-N 2.98Å; G132-N134 PolarHBondContact O-N 3.11Å; G132-S135 WeakPolarHBondContact O-CB 3.45Å; G132-S135 PolarHBondContact O-N 2.76Å; G132-S135 PolarHBondContact O-OG 2.81Å
133	R	84.5	Confident	92.9	Very high	169 Å²	169	41 Å²	41	64%	0.638	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-36.7	-171.5	-67.7	-178.6	-174	176.2	2.9	113	S135 Y185 R195	R133-S135 VanDerWaalsContact C-N 3.33Å; R133-Y185 HydrophobicContact CG-CD1 4.36Å; R133-Y185 HydrophobicContact CG-CD2 3.91Å; R133-Y185 HydrophobicContact CG-CG 3.75Å; R133-R195 PolarHBondContact O-NH2 3.15Å
134	N	88.4	Confident	93.1	Very high	119 Å²	119	45 Å²	45	64%	0.636	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	2.9	-176.3	-63.1	-18.1	0	0	0	113.8	G132 L136 S137 S138	G132-N134 PolarHBondContact O-N 3.11Å; N134-L136 VanDerWaalsContact C-N 3.28Å; N134-L136 PolarHBondContact O-N 3.44Å; N134-L136 VanDerWaalsContact O-N 3.1Å; N134-S137 WeakPolarHBondContact O-CA 3.27Å; N134-S137 WeakPolarHBondContact O-CB 3.44Å; N134-S137 PolarHBondContact O-N 2.88Å; N134-S138 PolarHBondContact O-N 3.27Å; N134-S138 PolarHBondContact O-OG 2.92Å
135	S	91.3	Very high	93.2	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-42.3	-46.6	-179.1	36.4	0	0	0	0	114.8	D127 V128 G132 R133 S137 S138 Y139 R195	D127-S135 WeakPolarHBondContact O-CB 3.37Å; V128-S135 PolarHBondContact O-OG 2.81Å; G132-S135 WeakPolarHBondContact O-CB 3.45Å; G132-S135 PolarHBondContact O-N 2.76Å; G132-S135 PolarHBondContact O-OG 2.81Å; R133-S135 VanDerWaalsContact C-N 3.33Å; S135-S137 PolarHBondContact O-N 2.86Å; S135-S138 PolarHBondContact O-N 3.01Å; S135-Y139 WeakPolarHBondContact O-CB 3.5Å; S135-Y139 PolarHBondContact O-N 2.81Å; S135-R195 PolarHBondContact OG-NH1 3.09Å
136	L	93.3	Very high	93.4	Very high	28 Å²	28	46.9 Å²	46.9	15%	0.147	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-35.7	179.9	-176	65	0	0	0	112.9	V128 N134 R140 R195 Q198 A199	V128-L136 HydrophobicContact CG1-CD1 3.97Å; N134-L136 VanDerWaalsContact C-N 3.28Å; N134-L136 PolarHBondContact O-N 3.44Å; N134-L136 VanDerWaalsContact O-N 3.1Å; L136-R140 WeakPolarHBondContact O-CG 3.42Å; L136-R140 PolarHBondContact O-N 2.88Å; L136-R195 HydrophobicContact CD2-CG 4.39Å; L136-Q198 HydrophobicContact CD2-CB 4.26Å; L136-A199 HydrophobicContact CD1-CB 4.08Å
137	S	95.3	Very high	93.6	Very high	65 Å²	65	45.8 Å²	45.8	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-70.5	-47.1	176.6	-170.2	0	0	0	0	110.6	N134 S135 Y139 R140 Q141	N134-S137 WeakPolarHBondContact O-CA 3.27Å; N134-S137 WeakPolarHBondContact O-CB 3.44Å; N134-S137 PolarHBondContact O-N 2.88Å; S135-S137 PolarHBondContact O-N 2.86Å; S137-Y139 VanDerWaalsContact C-N 3.27Å; S137-Y139 PolarHBondContact O-N 3.48Å; S137-R140 PolarHBondContact O-N 3.19Å; S137-Q141 PolarHBondContact O-N 2.91Å
138	S	95.9	Very high	93.7	Very high	33 Å²	33	46.3 Å²	46.3	23%	0.231	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-37.6	176.2	-57.8	0	0	0	0	111.6	N134 S135 R140 Q141 N142	N134-S138 PolarHBondContact O-N 3.27Å; N134-S138 PolarHBondContact O-OG 2.92Å; S135-S138 PolarHBondContact O-N 3.01Å; S138-R140 VanDerWaalsContact C-N 3.34Å; S138-R140 PolarHBondContact O-N 2.91Å; S138-Q141 PolarHBondContact O-N 2.95Å; S138-N142 WeakPolarHBondContact O-CB 3.32Å; S138-N142 PolarHBondContact O-N 3.41Å; S138-N142 PolarHBondContact O-OD1 3.47Å
139	Y	97.5	Very high	93.9	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-57.1	-45.5	174.4	174.8	-107.1	0	0	0	112	V97 S123 D127 V128 S135 S137 N142 L143 W162 A199	V97-Y139 HydrophobicContact CB-CD2 4.21Å; V97-Y139 HydrophobicContact CB-CE2 3.94Å; V97-Y139 HydrophobicContact CG1-CD2 3.71Å; V97-Y139 HydrophobicContact CG1-CE2 3.88Å; V97-Y139 HydrophobicContact CG2-CE2 4.24Å; S123-Y139 WeakPolarHBondContact O-CE2 3.5Å; S123-Y139 PolarHBondContact O-OH 3.21Å; D127-Y139 HydrophobicContact CB-CD2 3.41Å; D127-Y139 VanDerWaalsContact CB-CD2 3.41Å; D127-Y139 HydrophobicContact CB-CE2 4.08Å; D127-Y139 HydrophobicContact CB-CG 4.15Å; V128-Y139 HydrophobicContact CG1-CG 4.43Å; S135-Y139 WeakPolarHBondContact O-CB 3.5Å; S135-Y139 PolarHBondContact O-N 2.81Å; S137-Y139 VanDerWaalsContact C-N 3.27Å; S137-Y139 PolarHBondContact O-N 3.48Å; Y139-N142 PolarHBondContact O-N 2.85Å; Y139-L143 HydrophobicContact CE1-CD2 4.43Å; Y139-L143 VanDerWaalsContact O-CB 3.23Å; Y139-L143 WeakPolarHBondContact O-CB 3.4Å; Y139-L143 PolarHBondContact O-N 2.91Å; Y139-W162 WeakPolarHBondContact OH-CZ2 3.49Å; Y139-A199 HydrophobicContact CD1-CB 3.93Å; Y139-A199 HydrophobicContact CE1-CB 3.54Å
140	R	97.2	Very high	94.2	Very high	103 Å²	103	48.9 Å²	48.9	39%	0.389	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-48.3	179	-70	171.8	62	-179	-1.5	112	L136 S137 S138 L143 E144 Y202	L136-R140 WeakPolarHBondContact O-CG 3.42Å; L136-R140 PolarHBondContact O-N 2.88Å; S137-R140 PolarHBondContact O-N 3.19Å; S138-R140 VanDerWaalsContact C-N 3.34Å; S138-R140 PolarHBondContact O-N 2.91Å; R140-L143 PolarHBondContact O-N 2.85Å; R140-E144 WeakPolarHBondContact O-CG 3.27Å; R140-E144 PolarHBondContact O-N 3.18Å; R140-E144 VanDerWaalsContact O-N 3.09Å; R140-Y202 HydrophobicContact CG-CD2 3.95Å; R140-Y202 HydrophobicContact CG-CE2 4.46Å; R140-Y202 HydrophobicContact CG-CG 4.11Å
141	Q	97.6	Very high	94.5	Very high	117 Å²	117	48.8 Å²	48.8	55%	0.547	25%	0.25	S	C	.	.	H	α-helix	trans	-61.8	-46.8	177.9	-68.9	171.4	-20.6	0	0	111.3	S137 S138 L143 E144 S145	S137-Q141 PolarHBondContact O-N 2.91Å; S138-Q141 PolarHBondContact O-N 2.95Å; Q141-L143 VanDerWaalsContact C-N 3.27Å; Q141-L143 PolarHBondContact O-N 2.93Å; Q141-E144 PolarHBondContact O-N 3.43Å; Q141-S145 PolarHBondContact O-N 2.85Å; Q141-S145 PolarHBondContact O-OG 2.8Å
142	N	98.2	Very high	94.7	Very high	24 Å²	24	52.4 Å²	52.4	13%	0.128	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-37.4	177.8	-80.3	5.9	0	0	0	112.2	R96 V97 Y98 S138 Y139 S145 L146	R96-N142 PolarHBondContact NE-ND2 3.23Å; R96-N142 PolarHBondContact NH2-ND2 3.12Å; V97-N142 HydrophobicContact CG1-CB 3.51Å; Y98-N142 VanDerWaalsContact CB-O 3.27Å; Y98-N142 WeakPolarHBondContact CB-O 3.33Å; Y98-N142 PolarHBondContact O-ND2 3.21Å; S138-N142 WeakPolarHBondContact O-CB 3.32Å; S138-N142 PolarHBondContact O-N 3.41Å; S138-N142 PolarHBondContact O-OD1 3.47Å; Y139-N142 PolarHBondContact O-N 2.85Å; N142-S145 PolarHBondContact O-N 2.86Å; N142-L146 WeakPolarHBondContact O-CB 3.24Å; N142-L146 PolarHBondContact O-N 3.32Å
143	L	97.4	Very high	95.2	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-42.4	178.5	-170.4	75.1	0	0	0	111.8	V97 Y139 R140 Q141 S145 L146 F147 W162 E206	V97-L143 HydrophobicContact CG2-CD1 3.6Å; Y139-L143 HydrophobicContact CE1-CD2 4.43Å; Y139-L143 VanDerWaalsContact O-CB 3.23Å; Y139-L143 WeakPolarHBondContact O-CB 3.4Å; Y139-L143 PolarHBondContact O-N 2.91Å; R140-L143 PolarHBondContact O-N 2.85Å; Q141-L143 VanDerWaalsContact C-N 3.27Å; Q141-L143 PolarHBondContact O-N 2.93Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-S145 PolarHBondContact O-N 3.47Å; L143-L146 PolarHBondContact O-N 3.32Å; L143-F147 HydrophobicContact CD1-CD1 4.27Å; L143-F147 HydrophobicContact CD1-CE1 3.68Å; L143-F147 HydrophobicContact CD1-CE2 4.21Å; L143-F147 HydrophobicContact CD1-CZ 3.63Å; L143-F147 HydrophobicContact CD2-CE2 4.34Å; L143-F147 HydrophobicContact CD2-CZ 4.46Å; L143-F147 HydrophobicContact CG-CD2 4.48Å; L143-F147 HydrophobicContact CG-CE1 4.33Å; L143-F147 HydrophobicContact CG-CE2 4.15Å; L143-F147 HydrophobicContact CG-CZ 4.09Å; L143-F147 WeakPolarHBondContact O-CB 3.49Å; L143-F147 PolarHBondContact O-N 2.91Å; L143-W162 HydrophobicContact CD1-CH2 3.52Å; L143-W162 HydrophobicContact CD1-CZ2 3.81Å; L143-W162 HydrophobicContact CD1-CZ3 4.1Å; L143-E206 HydrophobicContact CD2-CB 4.04Å; L143-E206 HydrophobicContact CD2-CG 4.44Å
144	E	97.2	Very high	95.6	Very high	90 Å²	90	44 Å²	44	42%	0.421	23%	0.228	S	C	.	.	H	α-helix	trans	-59.6	-44.8	173.8	-71.3	172.4	-161.8	0	0	110.9	R140 Q141 G148 E206	R140-E144 WeakPolarHBondContact O-CG 3.27Å; R140-E144 PolarHBondContact O-N 3.18Å; R140-E144 VanDerWaalsContact O-N 3.09Å; Q141-E144 PolarHBondContact O-N 3.43Å; E144-G148 PolarHBondContact O-N 3.24Å; E144-E206 HydrophobicContact CG-CG 4.15Å
145	S	98	Very high	95.9	Very high	54 Å²	54	40.6 Å²	40.6	38%	0.378	21%	0.212	S	C	.	.	H	α-helix	trans	-60.6	-50.5	174.9	-61.5	0	0	0	0	112.1	Q141 N142 L143 F147 G148 R149	Q141-S145 PolarHBondContact O-N 2.85Å; Q141-S145 PolarHBondContact O-OG 2.8Å; N142-S145 PolarHBondContact O-N 2.86Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-S145 PolarHBondContact O-N 3.47Å; S145-F147 PolarHBondContact O-N 3.47Å; S145-G148 PolarHBondContact O-N 2.77Å; S145-R149 VanDerWaalsContact O-CG 3.31Å; S145-R149 WeakPolarHBondContact O-CG 3.07Å; S145-R149 PolarHBondContact O-N 2.72Å
146	L	98.3	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56.4	-51.6	179.3	175.9	72.3	0	0	0	111	V97 Y98 M102 L106 M121 N142 L143 G148 R149 M150 W162	V97-L146 HydrophobicContact CG2-CD2 3.52Å; V97-L146 WeakPolarHBondContact O-CD2 3.41Å; Y98-L146 HydrophobicContact CD2-CB 3.86Å; Y98-L146 HydrophobicContact CD2-CD1 4.09Å; Y98-L146 HydrophobicContact CG-CB 4.42Å; M102-L146 HydrophobicContact CG-CD1 3.7Å; M102-L146 HydrophobicContact SD-CD1 4.44Å; L106-L146 HydrophobicContact CD1-CD1 4.43Å; M121-L146 HydrophobicContact CE-CD1 4.29Å; M121-L146 HydrophobicContact CE-CD2 3.29Å; M121-L146 HydrophobicContact CE-CG 4.4Å; M121-L146 HydrophobicContact SD-CD2 3.75Å; N142-L146 WeakPolarHBondContact O-CB 3.24Å; N142-L146 PolarHBondContact O-N 3.32Å; L143-L146 PolarHBondContact O-N 3.32Å; L146-G148 VanDerWaalsContact C-N 3.29Å; L146-G148 PolarHBondContact O-N 3.39Å; L146-R149 PolarHBondContact O-N 2.97Å; L146-R149 VanDerWaalsContact O-N 3.12Å; L146-M150 HydrophobicContact CD1-CE 4.03Å; L146-M150 HydrophobicContact CD1-CG 4.17Å; L146-M150 HydrophobicContact CD1-SD 4.05Å; L146-M150 HydrophobicContact CD2-CE 4.47Å; L146-M150 HydrophobicContact CD2-SD 4.14Å; L146-M150 HydrophobicContact CG-CE 4.38Å; L146-M150 HydrophobicContact CG-CG 4.29Å; L146-M150 HydrophobicContact CG-SD 3.86Å; L146-M150 WeakPolarHBondContact O-CB 3.3Å; L146-M150 WeakPolarHBondContact O-CG 3.41Å; L146-M150 PolarHBondContact O-N 3.21Å; L146-W162 HydrophobicContact CD2-CZ3 4.28Å
147	F	97.4	Very high	95.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-33.9	-175.9	-74.5	6.7	0	0	0	111.6	L143 S145 M150 D151 W162 E206 A207 R210 F212	L143-F147 HydrophobicContact CD1-CD1 4.27Å; L143-F147 HydrophobicContact CD1-CE1 3.68Å; L143-F147 HydrophobicContact CD1-CE2 4.21Å; L143-F147 HydrophobicContact CD1-CZ 3.63Å; L143-F147 HydrophobicContact CD2-CE2 4.34Å; L143-F147 HydrophobicContact CD2-CZ 4.46Å; L143-F147 HydrophobicContact CG-CD2 4.48Å; L143-F147 HydrophobicContact CG-CE1 4.33Å; L143-F147 HydrophobicContact CG-CE2 4.15Å; L143-F147 HydrophobicContact CG-CZ 4.09Å; L143-F147 WeakPolarHBondContact O-CB 3.49Å; L143-F147 PolarHBondContact O-N 2.91Å; S145-F147 PolarHBondContact O-N 3.47Å; F147-M150 HydrophobicContact CD1-SD 4.48Å; F147-D151 WeakPolarHBondContact O-CB 3.32Å; F147-D151 PolarHBondContact O-N 2.92Å; F147-D151 VanDerWaalsContact O-N 3.08Å; F147-W162 HydrophobicContact CE1-CD2 4.17Å; F147-W162 AromaticContact CE1-CE3 3.55Å; F147-W162 HydrophobicContact CE1-CE3 3.55Å; F147-W162 HydrophobicContact CE1-CH2 4.34Å; F147-W162 AromaticContact CE1-CZ3 3.64Å; F147-W162 HydrophobicContact CE1-CZ3 3.64Å; F147-W162 AromaticContact CZ-CD2 3.66Å; F147-W162 HydrophobicContact CZ-CD2 3.66Å; F147-W162 AromaticContact CZ-CE3 3.55Å; F147-W162 HydrophobicContact CZ-CE3 3.55Å; F147-W162 HydrophobicContact CZ-CG 4.14Å; F147-W162 HydrophobicContact CZ-CH2 4.36Å; F147-W162 HydrophobicContact CZ-CZ2 4.46Å; F147-W162 AromaticContact CZ-CZ3 3.91Å; F147-W162 HydrophobicContact CZ-CZ3 3.91Å; F147-E206 HydrophobicContact CD2-CB 4.05Å; F147-E206 HydrophobicContact CD2-CG 3.72Å; F147-E206 HydrophobicContact CE2-CB 4.07Å; F147-E206 HydrophobicContact CE2-CG 4.23Å; F147-A207 HydrophobicContact CD2-CB 4.5Å; F147-A207 VanDerWaalsContact CE2-CA 3.49Å; F147-A207 HydrophobicContact CE2-CB 3.68Å; F147-A207 HydrophobicContact CZ-CB 4.27Å; F147-R210 HydrophobicContact CB-CG 4.25Å; F147-F212 HydrophobicContact CB-CE2 3.88Å; F147-F212 HydrophobicContact CD1-CD2 4.38Å; F147-F212 HydrophobicContact CD1-CE2 4.17Å; F147-F212 HydrophobicContact CD2-CD2 4.08Å; F147-F212 HydrophobicContact CD2-CE2 4.24Å; F147-F212 HydrophobicContact CE2-CD2 4.42Å; F147-F212 HydrophobicContact CG-CD2 4.1Å; F147-F212 AromaticContact CG-CE2 3.85Å; F147-F212 HydrophobicContact CG-CE2 3.85Å
148	G	96.5	Very high	95.9	Very high	13 Å²	13	49.4 Å²	49.4	13%	0.134	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-43.3	169.7	0	0	0	0	0	112.7	E144 S145 L146 Q152	E144-G148 PolarHBondContact O-N 3.24Å; S145-G148 PolarHBondContact O-N 2.77Å; L146-G148 VanDerWaalsContact C-N 3.29Å; L146-G148 PolarHBondContact O-N 3.39Å; G148-Q152 WeakPolarHBondContact O-CG 3.42Å; G148-Q152 PolarHBondContact O-N 3.03Å
149	R	97.4	Very high	95.9	Very high	61 Å²	61	48.9 Å²	48.9	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-70.2	-42	178.1	-69	-69.7	-63.9	146.8	-4.3	112.6	Y98 E103 L106 S145 L146 D151 Q152 V153	Y98-R149 HydrophobicContact CE2-CB 4.44Å; Y98-R149 HydrophobicContact CE2-CG 3.95Å; Y98-R149 WeakPolarHBondContact OH-CG 3.5Å; E103-R149 WeakPolarHBondContact OE1-CG 3.26Å; E103-R149 IonicContact OE1-NE 3.57Å; E103-R149 PolarHBondContact OE1-NE 3.27Å; E103-R149 VanDerWaalsContact OE1-NE 3.12Å; E103-R149 IonicContact OE2-CZ 3.69Å; E103-R149 IonicContact OE2-NE 2.73Å; E103-R149 PolarHBondContact OE2-NE 2.81Å; E103-R149 IonicContact OE2-NH2 3.78Å; E103-R149 PolarHBondContact OE2-NH2 3.45Å; L106-R149 HydrophobicContact CD1-CB 3.74Å; S145-R149 VanDerWaalsContact O-CG 3.31Å; S145-R149 WeakPolarHBondContact O-CG 3.07Å; S145-R149 PolarHBondContact O-N 2.72Å; L146-R149 PolarHBondContact O-N 2.97Å; L146-R149 VanDerWaalsContact O-N 3.12Å; R149-D151 VanDerWaalsContact C-N 3.29Å; R149-D151 PolarHBondContact O-N 3.43Å; R149-Q152 WeakPolarHBondContact O-CB 3.37Å; R149-Q152 PolarHBondContact O-N 2.69Å; R149-V153 WeakPolarHBondContact O-CB 3.29Å; R149-V153 WeakPolarHBondContact O-CG2 3.3Å; R149-V153 PolarHBondContact O-N 2.57Å
150	M	96	Very high	95.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-37.8	175.5	-74.4	-177.6	148.9	0	0	112.3	L21 M102 L106 I119 M121 L146 F147 Q152 V153 L154 L160 F212	L21-M150 HydrophobicContact CD1-CE 3.82Å; M102-M150 HydrophobicContact CE-CE 4.47Å; L106-M150 HydrophobicContact CD2-CE 4.26Å; L106-M150 HydrophobicContact CD2-CG 4.03Å; I119-M150 HydrophobicContact CG2-CE 4.33Å; M121-M150 HydrophobicContact CE-CE 4.32Å; M121-M150 HydrophobicContact SD-CE 3.32Å; M121-M150 WeakPolarHBondContact SD-CE 3.47Å; M121-M150 HydrophobicContact SD-SD 4.1Å; L146-M150 HydrophobicContact CD1-CE 4.03Å; L146-M150 HydrophobicContact CD1-CG 4.17Å; L146-M150 HydrophobicContact CD1-SD 4.05Å; L146-M150 HydrophobicContact CD2-CE 4.47Å; L146-M150 HydrophobicContact CD2-SD 4.14Å; L146-M150 HydrophobicContact CG-CE 4.38Å; L146-M150 HydrophobicContact CG-CG 4.29Å; L146-M150 HydrophobicContact CG-SD 3.86Å; L146-M150 WeakPolarHBondContact O-CB 3.3Å; L146-M150 WeakPolarHBondContact O-CG 3.41Å; L146-M150 PolarHBondContact O-N 3.21Å; F147-M150 HydrophobicContact CD1-SD 4.48Å; M150-Q152 PolarHBondContact O-N 2.93Å; M150-V153 PolarHBondContact O-N 3.1Å; M150-L154 HydrophobicContact CB-CD1 3.99Å; M150-L154 HydrophobicContact CB-CG 4.5Å; M150-L154 HydrophobicContact CG-CD1 4.27Å; M150-L154 VanDerWaalsContact O-CB 3.3Å; M150-L154 WeakPolarHBondContact O-CB 3.31Å; M150-L154 WeakPolarHBondContact O-CG 3.34Å; M150-L154 PolarHBondContact O-N 2.69Å; M150-L160 HydrophobicContact CB-CD1 4.16Å; M150-L160 HydrophobicContact CE-CD1 4.46Å; M150-L160 HydrophobicContact CG-CD1 4.39Å; M150-L160 HydrophobicContact SD-CD1 3.53Å; M150-L160 VanDerWaalsContact SD-CD1 3.53Å; M150-F212 HydrophobicContact CB-CE2 4.49Å; M150-F212 HydrophobicContact CB-CZ 4.28Å
151	D	92.2	Very high	96	Very high	48 Å²	48	44.4 Å²	44.4	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-65	-26.1	174.9	-162.8	24.4	0	0	0	113.2	F147 R149 R210 F212 R402	F147-D151 WeakPolarHBondContact O-CB 3.32Å; F147-D151 PolarHBondContact O-N 2.92Å; F147-D151 VanDerWaalsContact O-N 3.08Å; R149-D151 VanDerWaalsContact C-N 3.29Å; R149-D151 PolarHBondContact O-N 3.43Å; D151-R210 IonicContact OD2-NH1 2.67Å; D151-F212 HydrophobicContact CB-CZ 4.43Å; D151-R402 VanDerWaalsContact CG-NH2 3.34Å; D151-R402 IonicContact OD1-CZ 2.73Å; D151-R402 IonicContact OD1-NH1 3.09Å; D151-R402 PolarHBondContact OD1-NH1 3.23Å; D151-R402 IonicContact OD1-NH2 3.81Å; D151-R402 PolarHBondContact OD1-NH2 3.44Å; D151-R402 IonicContact OD2-NH2 3.84Å; D151-R402 PolarHBondContact OD2-NH2 3.41Å
152	Q	93.8	Very high	96	Very high	130 Å²	130	38.8 Å²	38.8	61%	0.607	21%	0.205	S	C	*	.	H	α-helix	trans	-85.9	-39.9	177.5	-66.1	165.9	17.1	0	0	112.4	G148 R149 M150	G148-Q152 WeakPolarHBondContact O-CG 3.42Å; G148-Q152 PolarHBondContact O-N 3.03Å; R149-Q152 WeakPolarHBondContact O-CB 3.37Å; R149-Q152 PolarHBondContact O-N 2.69Å; M150-Q152 PolarHBondContact O-N 2.93Å
153	V	94.9	Very high	96	Very high	13 Å²	13	37.7 Å²	37.7	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-87	-41.1	-169.9	166.1	0	0	0	0	112.2	L106 Q110 R149 M150	L106-V153 HydrophobicContact CB-CG1 4.34Å; L106-V153 HydrophobicContact CB-CG2 4.43Å; L106-V153 WeakPolarHBondContact O-CG1 3.49Å; Q110-V153 HydrophobicContact CB-CG1 3.81Å; Q110-V153 HydrophobicContact CG-CG1 4.16Å; R149-V153 WeakPolarHBondContact O-CB 3.29Å; R149-V153 WeakPolarHBondContact O-CG2 3.3Å; R149-V153 PolarHBondContact O-N 2.57Å; M150-V153 PolarHBondContact O-N 3.1Å
154	L	94.3	Very high	96.1	Very high	21 Å²	21	37.6 Å²	37.6	11%	0.11	20%	0.199	C	C	.	.	S	Bend	trans	-81.6	141.1	-173.1	-59.8	175.5	0	0	0	111.1	P116 I119 M150 C158 L160	P116-L154 HydrophobicContact CG-CD2 3.92Å; I119-L154 HydrophobicContact CD1-CD2 4.4Å; I119-L154 HydrophobicContact CG1-CD1 4.14Å; I119-L154 HydrophobicContact CG1-CD2 4.26Å; M150-L154 HydrophobicContact CB-CD1 3.99Å; M150-L154 HydrophobicContact CB-CG 4.5Å; M150-L154 HydrophobicContact CG-CD1 4.27Å; M150-L154 VanDerWaalsContact O-CB 3.3Å; M150-L154 WeakPolarHBondContact O-CB 3.31Å; M150-L154 WeakPolarHBondContact O-CG 3.34Å; M150-L154 PolarHBondContact O-N 2.69Å; L154-C158 HydrophobicContact CB-CB 4.26Å; L154-L160 HydrophobicContact CD1-CD1 3.8Å
155	P	93.1	Very high	96.1	Very high	47 Å²	47	33.7 Å²	33.7	31%	0.305	18%	0.182	S	C	.	.			trans	-65.8	151.5	174.6	30.3	-35.5	0	0	0	109.9	A115 S157 C158	A115-P155 HydrophobicContact CB-CG 3.81Å; P155-S157 PolarHBondContact O-N 2.7Å; P155-C158 HydrophobicContact CG-CB 3.91Å; P155-C158 VanDerWaalsContact O-CB 3.26Å; P155-C158 WeakPolarHBondContact O-CB 3.41Å; P155-C158 PolarHBondContact O-N 2.93Å
156	K	90.9	Very high	96	Very high	179 Å²	179	31.8 Å²	31.8	78%	0.778	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.9	179.3	-66.2	-176.9	179.8	176.6	0	114
157	S	92.6	Very high	95.9	Very high	82 Å²	82	33 Å²	33	57%	0.573	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-13	176.2	54	0	0	0	0	113.8	P155 L159	P155-S157 PolarHBondContact O-N 2.7Å; S157-L159 PolarHBondContact O-N 3.4Å
158	C	96.9	Very high	95.8	Very high	18 Å²	18	34 Å²	34	12%	0.122	18%	0.18	C	C	.	.			trans	-70.8	126.8	178	-173.8	0	0	0	0	110	P116 L154 P155 L160	P116-C158 WeakPolarHBondContact O-CB 3.32Å; P116-C158 PolarHBondContact O-SG 2.68Å; L154-C158 HydrophobicContact CB-CB 4.26Å; P155-C158 HydrophobicContact CG-CB 3.91Å; P155-C158 VanDerWaalsContact O-CB 3.26Å; P155-C158 WeakPolarHBondContact O-CB 3.41Å; P155-C158 PolarHBondContact O-N 2.93Å; C158-L160 PolarHBondContact O-N 3.44Å
159	L	97.1	Very high	95.7	Very high	22 Å²	22	33.6 Å²	33.6	12%	0.115	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	107.1	172.5	179.2	64.7	0	0	0	109.4	D117 V118 I119 S157 V161 D213 M251 A254	D117-L159 PolarHBondContact O-N 2.75Å; V118-L159 CarbonylContact C-O 3.56Å; V118-L159 VanDerWaalsContact CA-O 3.3Å; V118-L159 WeakPolarHBondContact CA-O 3.36Å; V118-L159 HydrophobicContact CG1-CB 4.47Å; V118-L159 HydrophobicContact CG1-CD2 4.49Å; V118-L159 WeakPolarHBondContact CG1-O 3.25Å; V118-L159 HydrophobicContact CG2-CB 4.38Å; I119-L159 PolarHBondContact N-O 2.99Å; S157-L159 PolarHBondContact O-N 3.4Å; L159-V161 HydrophobicContact CD1-CG2 4.47Å; L159-V161 HydrophobicContact CD2-CG2 4.12Å; L159-V161 HydrophobicContact CG-CG2 3.87Å; L159-D213 WeakPolarHBondContact CD1-OD2 3.49Å; L159-M251 HydrophobicContact CD2-CG 4.18Å; L159-A254 HydrophobicContact CD1-CB 4.14Å; L159-A254 HydrophobicContact CD2-CB 3.76Å
160	L	97.7	Very high	95.4	Very high	9 Å²	9	35.8 Å²	35.8	5%	0.047	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.3	172	-166.3	159.1	0	0	0	110.1	I119 M150 L154 C158 W162 F212 D213	I119-L160 HydrophobicContact CB-CG 4.26Å; I119-L160 HydrophobicContact CG2-CD1 4.48Å; I119-L160 HydrophobicContact CG2-CG 4.1Å; M150-L160 HydrophobicContact CB-CD1 4.16Å; M150-L160 HydrophobicContact CE-CD1 4.46Å; M150-L160 HydrophobicContact CG-CD1 4.39Å; M150-L160 HydrophobicContact SD-CD1 3.53Å; M150-L160 VanDerWaalsContact SD-CD1 3.53Å; L154-L160 HydrophobicContact CD1-CD1 3.8Å; C158-L160 PolarHBondContact O-N 3.44Å; L160-W162 HydrophobicContact CD2-CB 4.26Å; L160-F212 HydrophobicContact CB-CD1 4.1Å; L160-F212 HydrophobicContact CB-CG 4.33Å; L160-F212 HydrophobicContact CD1-CD1 4.27Å; L160-F212 HydrophobicContact CD1-CD2 4.06Å; L160-F212 HydrophobicContact CD1-CE1 4.19Å; L160-F212 HydrophobicContact CD1-CE2 3.97Å; L160-F212 HydrophobicContact CD1-CG 4.22Å; L160-F212 HydrophobicContact CD1-CZ 4.05Å; L160-F212 HydrophobicContact CD2-CB 3.85Å; L160-F212 HydrophobicContact CD2-CD1 4.48Å; L160-F212 HydrophobicContact CD2-CD2 3.95Å; L160-F212 HydrophobicContact CD2-CG 3.86Å; L160-F212 HydrophobicContact CG-CG 4.36Å; L160-D213 PolarHBondContact O-N 3.34Å; L160-D213 VanDerWaalsContact O-N 3.1Å
161	V	98.1	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	102.9	175.5	-168	0	0	0	0	109.4	V118 I119 M121 L159 N163 D213 L215 L247	V118-V161 HydrophobicContact CG1-CG2 4.44Å; I119-V161 PolarHBondContact O-N 3.13Å; M121-V161 PolarHBondContact N-O 3.04Å; L159-V161 HydrophobicContact CD1-CG2 4.47Å; L159-V161 HydrophobicContact CD2-CG2 4.12Å; L159-V161 HydrophobicContact CG-CG2 3.87Å; V161-N163 PolarHBondContact O-N 3.09Å; V161-D213 CarbonylContact C-O 3.51Å; V161-D213 WeakPolarHBondContact CA-O 3.39Å; V161-L215 HydrophobicContact CG1-CB 4.06Å; V161-L247 HydrophobicContact CG1-CD2 3.94Å
162	W	98.4	Very high	94.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.5	172.3	-177.9	-98.4	0	0	0	110.4	V97 M121 Y139 L143 L146 F147 L160 S203 A207 D213 V214 L215	V97-W162 HydrophobicContact CG2-CH2 3.88Å; V97-W162 HydrophobicContact CG2-CZ3 4.4Å; M121-W162 HydrophobicContact CB-CE3 4.1Å; M121-W162 HydrophobicContact CB-CZ3 4.32Å; M121-W162 HydrophobicContact CE-CZ3 4.2Å; M121-W162 HydrophobicContact CG-CE3 3.96Å; M121-W162 HydrophobicContact CG-CZ3 3.66Å; M121-W162 HydrophobicContact SD-CE3 4.34Å; M121-W162 HydrophobicContact SD-CZ3 3.85Å; Y139-W162 WeakPolarHBondContact OH-CZ2 3.49Å; L143-W162 HydrophobicContact CD1-CH2 3.52Å; L143-W162 HydrophobicContact CD1-CZ2 3.81Å; L143-W162 HydrophobicContact CD1-CZ3 4.1Å; L146-W162 HydrophobicContact CD2-CZ3 4.28Å; F147-W162 HydrophobicContact CE1-CD2 4.17Å; F147-W162 AromaticContact CE1-CE3 3.55Å; F147-W162 HydrophobicContact CE1-CE3 3.55Å; F147-W162 HydrophobicContact CE1-CH2 4.34Å; F147-W162 AromaticContact CE1-CZ3 3.64Å; F147-W162 HydrophobicContact CE1-CZ3 3.64Å; F147-W162 AromaticContact CZ-CD2 3.66Å; F147-W162 HydrophobicContact CZ-CD2 3.66Å; F147-W162 AromaticContact CZ-CE3 3.55Å; F147-W162 HydrophobicContact CZ-CE3 3.55Å; F147-W162 HydrophobicContact CZ-CG 4.14Å; F147-W162 HydrophobicContact CZ-CH2 4.36Å; F147-W162 HydrophobicContact CZ-CZ2 4.46Å; F147-W162 AromaticContact CZ-CZ3 3.91Å; F147-W162 HydrophobicContact CZ-CZ3 3.91Å; L160-W162 HydrophobicContact CD2-CB 4.26Å; W162-S203 PolarHBondContact NE1-OG 3.21Å; W162-A207 HydrophobicContact CB-CB 4.41Å; W162-D213 PolarHBondContact N-O 3.04Å; W162-V214 HydrophobicContact CB-CG2 4.43Å; W162-V214 CarbonylContact O-C 3.52Å; W162-V214 VanDerWaalsContact O-CA 3.28Å; W162-V214 WeakPolarHBondContact O-CA 3.43Å; W162-L215 PolarHBondContact O-N 3.04Å
163	N	98.4	Very high	94.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.6	173.8	-70.7	-1.3	0	0	0	108.8	H26 I120 M121 N122 V161 L215 L217	H26-N163 PolarHBondContact NE2-ND2 3.3Å; I120-N163 WeakPolarHBondContact CG2-ND2 3.33Å; M121-N163 PolarHBondContact O-N 3.41Å; N122-N163 HydrophobicContact CB-CB 4.15Å; N122-N163 WeakPolarHBondContact CB-O 3.36Å; N122-N163 PolarHBondContact ND2-O 2.94Å; V161-N163 PolarHBondContact O-N 3.09Å; N163-L215 WeakPolarHBondContact CA-O 3.36Å; N163-L215 WeakPolarHBondContact OD1-CB 3.42Å; N163-L217 HydrophobicContact CB-CD1 3.72Å; N163-L217 HydrophobicContact CB-CG 4.14Å
164	T	98.1	Very high	92.8	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-71.9	158.5	166.5	63.7	0	0	0	0	110.7	N122 N200 V214 L215 D216 L217 N218	N122-T164 VanDerWaalsContact ND2-C 3.3Å; T164-N200 HydrophobicContact CG2-CB 4.29Å; T164-V214 HydrophobicContact CG2-CG1 3.97Å; T164-L215 PolarHBondContact N-O 3.45Å; T164-L215 VanDerWaalsContact N-O 3.11Å; T164-D216 WeakPolarHBondContact OG1-CA 3.48Å; T164-D216 PolarHBondContact OG1-OD1 2.92Å; T164-L217 WeakPolarHBondContact O-CB 3.27Å; T164-L217 PolarHBondContact OG1-N 3.12Å; T164-N218 PolarHBondContact OG1-N 3.33Å
165	A	97.6	Very high	91.6	Very high	8 Å²	8	47.8 Å²	47.8	7%	0.066	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-65.9	136.8	174.9	0	0	0	0	0	112.2	N122 C124 V196 N200 N218	N122-A165 PolarHBondContact ND2-N 3.42Å; N122-A165 VanDerWaalsContact ND2-N 3.2Å; C124-A165 HydrophobicContact CB-CB 3.83Å; A165-V196 HydrophobicContact CB-CG1 3.81Å; A165-N200 WeakPolarHBondContact CB-OD1 3.44Å; A165-N200 PolarHBondContact N-OD1 2.98Å; A165-N200 PolarHBondContact O-ND2 2.86Å; A165-N218 WeakPolarHBondContact O-CB 3.32Å; A165-N218 PolarHBondContact O-ND2 2.85Å; A165-N218 VanDerWaalsContact O-ND2 3.13Å
166	M	96.5	Very high	90.4	Very high	13 Å²	13	47.9 Å²	47.9	6%	0.064	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-62.5	157.8	174.3	-65.5	-177.6	84.4	0	0	111.8	V25 L168 L217 F221 W235 L243	V25-M166 HydrophobicContact CG1-SD 3.77Å; M166-L168 PolarHBondContact O-N 3.15Å; M166-L217 HydrophobicContact CG-CB 3.84Å; M166-L217 HydrophobicContact CG-CD1 4.03Å; M166-F221 HydrophobicContact CE-CB 3.81Å; M166-F221 HydrophobicContact CE-CD1 3.26Å; M166-F221 HydrophobicContact CE-CD2 3.61Å; M166-F221 HydrophobicContact CE-CE1 3.59Å; M166-F221 HydrophobicContact CE-CE2 3.92Å; M166-F221 HydrophobicContact CE-CG 3.26Å; M166-F221 HydrophobicContact CE-CZ 3.91Å; M166-W235 HydrophobicContact CB-CZ2 4.3Å; M166-W235 HydrophobicContact CE-CB 4.47Å; M166-W235 HydrophobicContact CE-CD2 3.5Å; M166-W235 HydrophobicContact CE-CE3 3.95Å; M166-W235 HydrophobicContact CE-CG 3.73Å; M166-W235 HydrophobicContact CE-CZ2 4.14Å; M166-W235 HydrophobicContact CE-CZ3 4.43Å; M166-W235 HydrophobicContact SD-CD2 4.34Å; M166-W235 HydrophobicContact SD-CG 4.04Å; M166-L243 HydrophobicContact SD-CD1 4.1Å
167	P	96.2	Very high	89.2	Confident	25 Å²	25	41.1 Å²	41.1	16%	0.162	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-62	134.4	178.7	-21.4	33.9	0	0	0	112.2	N218 F221 R222 W235	P167-N218 WeakPolarHBondContact CG-O 3.42Å; P167-F221 HydrophobicContact CG-CB 4.34Å; P167-R222 HydrophobicContact CG-CB 4.42Å; P167-W235 HydrophobicContact CB-CZ2 4.4Å; P167-W235 HydrophobicContact CG-CZ2 4.47Å; P167-W235 WeakPolarHBondContact O-CZ2 3.42Å
168	L	95.9	Very high	87.7	Confident	21 Å²	21	38.8 Å²	38.8	11%	0.11	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-83.4	153.2	174	-56.5	178.4	0	0	0	111.9	L125 M166 I172 L192 K193 V196 V233	L125-L168 HydrophobicContact CD1-CD1 3.95Å; L125-L168 HydrophobicContact CD1-CD2 4.1Å; L125-L168 HydrophobicContact CD2-CD2 4.17Å; M166-L168 PolarHBondContact O-N 3.15Å; L168-I172 HydrophobicContact CB-CD1 4.26Å; L168-I172 HydrophobicContact CD1-CD1 3.91Å; L168-L192 HydrophobicContact CD1-CD2 4.16Å; L168-L192 HydrophobicContact CD1-CG 3.94Å; L168-K193 HydrophobicContact CB-CG 4.08Å; L168-K193 HydrophobicContact CD1-CG 4.35Å; L168-V196 HydrophobicContact CD1-CG2 3.9Å; L168-V233 HydrophobicContact CD2-CG2 4.44Å
169	G	93.9	Very high	85.7	Confident	6 Å²	6	45.6 Å²	45.6	6%	0.062	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.2	166.4	172.3	0	0	0	0	0	113.7	K171 G232	G169-K171 PolarHBondContact O-N 3.22Å; G169-G232 PolarHBondContact N-O 2.9Å
170	D	90.9	Very high	83.5	Confident	106 Å²	106	53.4 Å²	53.4	57%	0.567	28%	0.28	S	S	*	.	S	Bend	trans	-77.5	-15.4	177.9	-60.5	-41.4	0	0	0	112.4	K193 K225	D170-K193 IonicContact OD1-NZ 2.99Å; D170-K193 PolarHBondContact OD1-NZ 2.7Å; D170-K225 IonicContact OD2-NZ 3.08Å
171	K	89.1	Confident	81	Confident	180 Å²	180	56.6 Å²	56.6	78%	0.783	30%	0.302	S	S	*	.	S	Bend	trans	-129.7	134	171.9	-62	179.6	-176.8	177.6	0	108.1	G169 G232	G169-K171 PolarHBondContact O-N 3.22Å; K171-G232 VanDerWaalsContact O-CA 3.31Å; K171-G232 WeakPolarHBondContact O-CA 2.98Å
172	I	87.4	Confident	78.3	Confident	18 Å²	18	67.2 Å²	67.2	9%	0.092	35%	0.348	C	S	.	.			trans	-121.7	130.5	177.7	-63.4	172.6	0	0	0	108.2	L168 F176 L177 V189 L192 D231 V233	L168-I172 HydrophobicContact CB-CD1 4.26Å; L168-I172 HydrophobicContact CD1-CD1 3.91Å; I172-F176 HydrophobicContact CG2-CB 3.75Å; I172-L177 HydrophobicContact CB-CD2 4.41Å; I172-L177 HydrophobicContact CG2-CD2 4.05Å; I172-L177 HydrophobicContact CG2-CG 4.09Å; I172-V189 HydrophobicContact CB-CG2 4.29Å; I172-V189 HydrophobicContact CD1-CG1 3.99Å; I172-V189 HydrophobicContact CD1-CG2 4.41Å; I172-V189 HydrophobicContact CG1-CG1 4.21Å; I172-V189 HydrophobicContact CG1-CG2 4.38Å; I172-L192 HydrophobicContact CD1-CD2 3.82Å; I172-D231 WeakPolarHBondContact CA-O 3.22Å; I172-V233 HydrophobicContact CG2-CG2 3.94Å
173	K	83.1	Confident	76.1	Confident	123 Å²	123	71 Å²	71	54%	0.535	39%	0.387	S	S	.	.			trans	-62.5	141.4	176.4	-79.1	-179.9	-168.1	176.9	0	110.7	A175 F176 D231	K173-A175 PolarHBondContact O-N 2.72Å; K173-F176 HydrophobicContact CB-CD2 4.02Å; K173-F176 HydrophobicContact CB-CE2 4.32Å; K173-F176 PolarHBondContact O-N 3.24Å; K173-D231 HydrophobicContact CB-CB 4.27Å; K173-D231 HydrophobicContact CD-CB 3.63Å; K173-D231 HydrophobicContact CG-CB 4.02Å; K173-D231 PolarHBondContact N-O 3.27Å
174	A	63.3	Low	74.1	Confident	78 Å²	78	76.3 Å²	76.3	65%	0.645	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-56.7	-28.6	-173.6	0	0	0	0	0	114.3	F176 L177	A174-F176 PolarHBondContact O-N 3.27Å; A174-L177 PolarHBondContact O-N 3.04Å; A174-L177 VanDerWaalsContact O-O 3.11Å
175	A	68.3	Low	72.3	Confident	67 Å²	67	80.1 Å²	80.1	55%	0.554	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-62.5	-19.5	176.7	0	0	0	0	0	114.2	R130 K173	R130-A175 PolarHBondContact NH2-O 3.06Å; K173-A175 PolarHBondContact O-N 2.72Å
176	F	67.1	Low	70.9	Confident	48 Å²	48	90.1 Å²	90.1	21%	0.211	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-98.2	-3.9	176.2	-59.3	-71.8	0	0	0	113.2	I172 K173 A174 D231 V233 H234	I172-F176 HydrophobicContact CG2-CB 3.75Å; K173-F176 HydrophobicContact CB-CD2 4.02Å; K173-F176 HydrophobicContact CB-CE2 4.32Å; K173-F176 PolarHBondContact O-N 3.24Å; A174-F176 PolarHBondContact O-N 3.27Å; F176-D231 HydrophobicContact CD2-CB 4.32Å; F176-D231 HydrophobicContact CE2-CB 3.8Å; F176-V233 HydrophobicContact CB-CG2 4.01Å; F176-V233 HydrophobicContact CD2-CG2 4.36Å; F176-V233 HydrophobicContact CG-CG2 4.03Å; F176-H234 AromaticContact CE1-CE1 3.41Å; F176-H234 VanDerWaalsContact CE1-CE1 3.41Å; F176-H234 WeakPolarHBondContact CE1-CE1 3.43Å; F176-H234 AromaticContact CZ-CE1 3.36Å; F176-H234 WeakPolarHBondContact CZ-CE1 3.48Å; F176-H234 AromaticContact CZ-ND1 3.77Å
177	L	66.6	Low	70.1	Confident	37 Å²	37	90 Å²	90	19%	0.194	46%	0.462	C	S	.	.	S	Bend	trans	-99.6	152.3	173.4	-61	176.4	0	0	0	109	I172 A174 Q179 L192	I172-L177 HydrophobicContact CB-CD2 4.41Å; I172-L177 HydrophobicContact CG2-CD2 4.05Å; I172-L177 HydrophobicContact CG2-CG 4.09Å; A174-L177 PolarHBondContact O-N 3.04Å; A174-L177 VanDerWaalsContact O-O 3.11Å; L177-Q179 PolarHBondContact O-N 2.96Å; L177-L192 HydrophobicContact CD2-CD2 3.87Å
178	P	60.6	Low	69.7	Low	33 Å²	33	91.6 Å²	91.6	21%	0.214	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-53.1	130.1	176.1	18.9	-30.5	0	0	0	110.7	S129 I187	S129-P178 WeakPolarHBondContact O-CD 3.38Å; S129-P178 VanDerWaalsContact O-CG 3.23Å; S129-P178 WeakPolarHBondContact O-CG 3.32Å; P178-I187 HydrophobicContact CG-CG2 4.3Å
179	Q	55.7	Low	69.4	Low	161 Å²	161	92.1 Å²	92.1	75%	0.752	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-64.1	148.5	-173.8	-164.2	158.4	-5.7	0	0	110.6	L177 C181 Q184	L177-Q179 PolarHBondContact O-N 2.96Å; Q179-C181 VanDerWaalsContact C-N 3.26Å; Q179-C181 PolarHBondContact O-N 3.49Å; Q179-Q184 PolarHBondContact O-OE1 3.48Å; Q179-Q184 VanDerWaalsContact O-OE1 3.07Å
180	K	50.5	Low	69.3	Low	187 Å²	187	95.2 Å²	95.2	81%	0.813	50%	0.503	S	S	*	.			trans	-73.6	72.7	-176.6	-62.8	178.3	-176.8	174.4	0	110.9
181	C	46.2	Very low	69.3	Low	76 Å²	76	92.5 Å²	92.5	51%	0.514	49%	0.49	S	S	.	.			trans	-80	137.9	159.5	-59.5	0	0	0	0	108.4	Q179 G183 Q184	Q179-C181 VanDerWaalsContact C-N 3.26Å; Q179-C181 PolarHBondContact O-N 3.49Å; C181-G183 PolarHBondContact O-N 3.19Å; C181-G183 VanDerWaalsContact O-N 3.07Å; C181-Q184 VanDerWaalsContact CB-OE1 3.28Å; C181-Q184 PolarHBondContact O-N 3.46Å
182	K	40.5	Very low	69.5	Low	223 Å²	223	84 Å²	84	97%	0.97	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	118.2	177.3	-70.9	-179.3	178.9	177	0	108.6
183	G	52.4	Low	69.8	Low	78 Å²	78	86.3 Å²	86.3	80%	0.804	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.8	-8.8	-178.4	0	0	0	0	0	116.2	C181	C181-G183 PolarHBondContact O-N 3.19Å; C181-G183 VanDerWaalsContact O-N 3.07Å
184	Q	56	Low	70.4	Confident	112 Å²	112	86.9 Å²	86.9	52%	0.523	47%	0.465	S	S	.	.			trans	-79.8	140.3	177.5	-103	164.1	-7.3	0	0	113.5	Q179 C181 R186	Q179-Q184 PolarHBondContact O-OE1 3.48Å; Q179-Q184 VanDerWaalsContact O-OE1 3.07Å; C181-Q184 VanDerWaalsContact CB-OE1 3.28Å; C181-Q184 PolarHBondContact O-N 3.46Å; Q184-R186 PolarHBondContact O-N 2.92Å
185	Y	60.3	Low	71.9	Confident	82 Å²	82	84.6 Å²	84.6	32%	0.322	44%	0.44	S	S	.	.			trans	-63.8	114.6	179.8	172.1	-101.2	0	0	0	111.3	R133 I187	R133-Y185 HydrophobicContact CG-CD1 4.36Å; R133-Y185 HydrophobicContact CG-CD2 3.91Å; R133-Y185 HydrophobicContact CG-CG 3.75Å; Y185-I187 HydrophobicContact CD1-CB 4.27Å; Y185-I187 HydrophobicContact CE1-CB 3.79Å; Y185-I187 HydrophobicContact CE1-CD1 4.4Å; Y185-I187 HydrophobicContact CE1-CG1 4.08Å; Y185-I187 PolarHBondContact O-N 2.97Å
186	R	68.8	Low	73.2	Confident	219 Å²	219	81.6 Å²	81.6	83%	0.826	42%	0.415	S	S	*	.			trans	-83.3	104.2	175.6	-158.1	173.1	84.5	175.1	7	109.8	Q184	Q184-R186 PolarHBondContact O-N 2.92Å
187	I	79.5	Confident	74.6	Confident	9 Å²	9	82.5 Å²	82.5	5%	0.046	43%	0.427	C	S	.	.			trans	-77.7	130.2	174.9	-165.5	169.3	0	0	0	110.3	P178 Y185 T191 L192 R195	P178-I187 HydrophobicContact CG-CG2 4.3Å; Y185-I187 HydrophobicContact CD1-CB 4.27Å; Y185-I187 HydrophobicContact CE1-CB 3.79Å; Y185-I187 HydrophobicContact CE1-CD1 4.4Å; Y185-I187 HydrophobicContact CE1-CG1 4.08Å; Y185-I187 PolarHBondContact O-N 2.97Å; I187-T191 HydrophobicContact CD1-CG2 4Å; I187-T191 HydrophobicContact CG1-CG2 3.79Å; I187-L192 HydrophobicContact CD1-CB 3.97Å; I187-L192 HydrophobicContact CD1-CD1 4.18Å; I187-L192 HydrophobicContact CG1-CB 4.23Å; I187-R195 HydrophobicContact CD1-CG 4.42Å
188	S	88.1	Confident	76.1	Confident	59 Å²	59	83.9 Å²	83.9	41%	0.413	43%	0.433	S	S	.	.			trans	-71.6	153.5	172	82.9	0	0	0	0	110.5	A190 T191 L192	S188-A190 VanDerWaalsContact C-N 3.25Å; S188-A190 PolarHBondContact O-N 2.97Å; S188-T191 PolarHBondContact O-N 3.48Å; S188-T191 VanDerWaalsContact O-N 3.14Å; S188-T191 WeakPolarHBondContact OG-CB 3.35Å; S188-T191 PolarHBondContact OG-N 3.05Å; S188-T191 PolarHBondContact OG-OG1 2.67Å; S188-L192 PolarHBondContact O-N 2.68Å
189	V	89.7	Confident	77.9	Confident	32 Å²	32	82.3 Å²	82.3	19%	0.194	42%	0.422	C	S	.	.	H	α-helix	trans	-57.9	-40.3	175.7	175.9	0	0	0	0	111	I172 T191 L192 K193	I172-V189 HydrophobicContact CB-CG2 4.29Å; I172-V189 HydrophobicContact CD1-CG1 3.99Å; I172-V189 HydrophobicContact CD1-CG2 4.41Å; I172-V189 HydrophobicContact CG1-CG1 4.21Å; I172-V189 HydrophobicContact CG1-CG2 4.38Å; V189-T191 PolarHBondContact O-N 3.2Å; V189-L192 PolarHBondContact O-N 3.48Å; V189-K193 HydrophobicContact CG1-CD 4.11Å; V189-K193 HydrophobicContact CG1-CG 4.41Å; V189-K193 WeakPolarHBondContact O-CG 3.34Å; V189-K193 PolarHBondContact O-N 3.13Å
190	A	91.6	Very high	79.9	Confident	72 Å²	72	75.2 Å²	75.2	60%	0.595	39%	0.389	S	S	*	.	H	α-helix	trans	-62.1	-43.9	176.4	0	0	0	0	0	112.2	S188 L192 K193 K194	S188-A190 VanDerWaalsContact C-N 3.25Å; S188-A190 PolarHBondContact O-N 2.97Å; A190-L192 VanDerWaalsContact C-N 3.35Å; A190-K193 PolarHBondContact O-N 2.83Å; A190-K194 PolarHBondContact O-N 2.77Å
191	T	91.4	Very high	82.1	Confident	49 Å²	49	73 Å²	73	30%	0.301	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-41.2	175.2	-51.8	0	0	0	0	111.1	I187 S188 V189 K194 R195	I187-T191 HydrophobicContact CD1-CG2 4Å; I187-T191 HydrophobicContact CG1-CG2 3.79Å; S188-T191 PolarHBondContact O-N 3.48Å; S188-T191 VanDerWaalsContact O-N 3.14Å; S188-T191 WeakPolarHBondContact OG-CB 3.35Å; S188-T191 PolarHBondContact OG-N 3.05Å; S188-T191 PolarHBondContact OG-OG1 2.67Å; V189-T191 PolarHBondContact O-N 3.2Å; T191-K194 PolarHBondContact O-N 3.38Å; T191-R195 WeakPolarHBondContact O-CG 3.29Å; T191-R195 PolarHBondContact O-N 3.47Å
192	L	92.5	Very high	84.5	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-63.9	-45.8	178	-179.7	57.8	0	0	0	111.6	L125 V128 L168 I172 L177 I187 S188 V189 A190 K194 R195 V196	L125-L192 HydrophobicContact CD1-CD1 4.29Å; L125-L192 HydrophobicContact CD1-CD2 4.2Å; L125-L192 HydrophobicContact CD1-CG 4.47Å; V128-L192 HydrophobicContact CG2-CD1 3.84Å; L168-L192 HydrophobicContact CD1-CD2 4.16Å; L168-L192 HydrophobicContact CD1-CG 3.94Å; I172-L192 HydrophobicContact CD1-CD2 3.82Å; L177-L192 HydrophobicContact CD2-CD2 3.87Å; I187-L192 HydrophobicContact CD1-CB 3.97Å; I187-L192 HydrophobicContact CD1-CD1 4.18Å; I187-L192 HydrophobicContact CG1-CB 4.23Å; S188-L192 PolarHBondContact O-N 2.68Å; V189-L192 PolarHBondContact O-N 3.48Å; A190-L192 VanDerWaalsContact C-N 3.35Å; L192-K194 VanDerWaalsContact C-N 3.32Å; L192-K194 PolarHBondContact O-N 2.98Å; L192-R195 PolarHBondContact O-N 2.87Å; L192-R195 VanDerWaalsContact O-N 3.12Å; L192-V196 HydrophobicContact CD1-CG2 4.38Å; L192-V196 WeakPolarHBondContact O-CG2 3.39Å; L192-V196 PolarHBondContact O-N 2.91Å
193	K	94.2	Very high	87.2	Confident	66 Å²	66	62.1 Å²	62.1	29%	0.287	32%	0.323	S	S	.	.	H	α-helix	trans	-56.2	-45.9	173.8	-72.8	175.5	78.3	-179.5	0	111.3	L168 D170 V189 A190 R195 V196 S197	L168-K193 HydrophobicContact CB-CG 4.08Å; L168-K193 HydrophobicContact CD1-CG 4.35Å; D170-K193 IonicContact OD1-NZ 2.99Å; D170-K193 PolarHBondContact OD1-NZ 2.7Å; V189-K193 HydrophobicContact CG1-CD 4.11Å; V189-K193 HydrophobicContact CG1-CG 4.41Å; V189-K193 WeakPolarHBondContact O-CG 3.34Å; V189-K193 PolarHBondContact O-N 3.13Å; A190-K193 PolarHBondContact O-N 2.83Å; K193-R195 PolarHBondContact O-N 2.87Å; K193-V196 PolarHBondContact O-N 3.45Å; K193-S197 PolarHBondContact O-N 3.2Å; K193-S197 PolarHBondContact O-OG 2.79Å
194	K	95	Very high	89.3	Confident	135 Å²	135	60.8 Å²	60.8	59%	0.587	30%	0.295	S	S	*	.	H	α-helix	trans	-59.4	-44.5	175.2	-175.1	178.4	-179.5	178.4	0	111.9	A190 T191 L192 S197 Q198	A190-K194 PolarHBondContact O-N 2.77Å; T191-K194 PolarHBondContact O-N 3.38Å; L192-K194 VanDerWaalsContact C-N 3.32Å; L192-K194 PolarHBondContact O-N 2.98Å; K194-S197 PolarHBondContact O-N 2.83Å; K194-Q198 WeakPolarHBondContact O-CG 3.39Å; K194-Q198 PolarHBondContact O-N 3.44Å
195	R	95.2	Very high	91.1	Very high	30 Å²	30	57.2 Å²	57.2	11%	0.113	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-41.7	177.2	-73.3	-170.5	-179.5	-169.6	-11.8	112.3	V128 R133 S135 L136 I187 T191 L192 K193 Q198 A199	V128-R195 HydrophobicContact CB-CB 4.22Å; V128-R195 HydrophobicContact CG2-CB 4.29Å; V128-R195 PolarHBondContact O-NH1 3.26Å; R133-R195 PolarHBondContact O-NH2 3.15Å; S135-R195 PolarHBondContact OG-NH1 3.09Å; L136-R195 HydrophobicContact CD2-CG 4.39Å; I187-R195 HydrophobicContact CD1-CG 4.42Å; T191-R195 WeakPolarHBondContact O-CG 3.29Å; T191-R195 PolarHBondContact O-N 3.47Å; L192-R195 PolarHBondContact O-N 2.87Å; L192-R195 VanDerWaalsContact O-N 3.12Å; K193-R195 PolarHBondContact O-N 2.87Å; R195-Q198 PolarHBondContact O-N 3.17Å; R195-A199 VanDerWaalsContact O-CB 3.31Å; R195-A199 WeakPolarHBondContact O-CB 3.46Å; R195-A199 PolarHBondContact O-N 2.88Å
196	V	96.3	Very high	92.8	Very high	4 Å²	4	54 Å²	54	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-45	175.4	169	0	0	0	0	111	L125 V128 A165 L168 L192 K193 Q198 A199 N200	L125-V196 HydrophobicContact CD1-CG2 4.28Å; V128-V196 HydrophobicContact CG2-CG2 3.84Å; A165-V196 HydrophobicContact CB-CG1 3.81Å; L168-V196 HydrophobicContact CD1-CG2 3.9Å; L192-V196 HydrophobicContact CD1-CG2 4.38Å; L192-V196 WeakPolarHBondContact O-CG2 3.39Å; L192-V196 PolarHBondContact O-N 2.91Å; K193-V196 PolarHBondContact O-N 3.45Å; V196-Q198 VanDerWaalsContact C-N 3.32Å; V196-Q198 PolarHBondContact O-N 2.9Å; V196-A199 PolarHBondContact O-N 3.05Å; V196-N200 WeakPolarHBondContact O-CB 3.42Å; V196-N200 PolarHBondContact O-N 2.74Å
197	S	96.2	Very high	94.1	Very high	67 Å²	67	43.5 Å²	43.5	47%	0.469	23%	0.233	S	C	.	.	H	α-helix	trans	-60	-41.9	174.8	-61.8	0	0	0	0	112.2	K193 K194 F201	K193-S197 PolarHBondContact O-N 3.2Å; K193-S197 PolarHBondContact O-OG 2.79Å; K194-S197 PolarHBondContact O-N 2.83Å; S197-F201 PolarHBondContact O-N 2.81Å
198	Q	97.3	Very high	94.6	Very high	67 Å²	67	45.6 Å²	45.6	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-64.5	-45.2	175.2	-73.4	177.2	-38.9	0	0	111.9	L136 K194 R195 V196 F201 Y202	L136-Q198 HydrophobicContact CD2-CB 4.26Å; K194-Q198 WeakPolarHBondContact O-CG 3.39Å; K194-Q198 PolarHBondContact O-N 3.44Å; R195-Q198 PolarHBondContact O-N 3.17Å; V196-Q198 VanDerWaalsContact C-N 3.32Å; V196-Q198 PolarHBondContact O-N 2.9Å; Q198-F201 PolarHBondContact O-N 2.62Å; Q198-Y202 HydrophobicContact CB-CD2 4.39Å; Q198-Y202 HydrophobicContact CB-CE2 4.02Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.43Å; Q198-Y202 PolarHBondContact O-N 3.5Å
199	A	97.8	Very high	94.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-40.7	177.9	0	0	0	0	0	112.5	V128 L136 Y139 R195 V196 Y202 S203	V128-A199 HydrophobicContact CG1-CB 3.9Å; L136-A199 HydrophobicContact CD1-CB 4.08Å; Y139-A199 HydrophobicContact CD1-CB 3.93Å; Y139-A199 HydrophobicContact CE1-CB 3.54Å; R195-A199 VanDerWaalsContact O-CB 3.31Å; R195-A199 WeakPolarHBondContact O-CB 3.46Å; R195-A199 PolarHBondContact O-N 2.88Å; V196-A199 PolarHBondContact O-N 3.05Å; A199-Y202 PolarHBondContact O-N 2.71Å; A199-S203 WeakPolarHBondContact O-CB 2.95Å; A199-S203 PolarHBondContact O-N 3.34Å; A199-S203 PolarHBondContact O-OG 3.28Å
200	N	98.1	Very high	94.6	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.059	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-43.9	173.1	-76.8	-10.3	0	0	0	111.5	T164 A165 V196 S203 H204 N218	T164-N200 HydrophobicContact CG2-CB 4.29Å; A165-N200 WeakPolarHBondContact CB-OD1 3.44Å; A165-N200 PolarHBondContact N-OD1 2.98Å; A165-N200 PolarHBondContact O-ND2 2.86Å; V196-N200 WeakPolarHBondContact O-CB 3.42Å; V196-N200 PolarHBondContact O-N 2.74Å; N200-S203 PolarHBondContact O-N 2.73Å; N200-S203 PolarHBondContact O-OG 3.3Å; N200-H204 VanDerWaalsContact O-CB 3.27Å; N200-H204 WeakPolarHBondContact O-CB 3.5Å; N200-H204 PolarHBondContact O-N 2.82Å; N200-N218 PolarHBondContact ND2-ND2 3.27Å
201	F	96.7	Very high	94.5	Very high	140 Å²	140	50.6 Å²	50.6	61%	0.614	25%	0.247	S	C	*	.	H	α-helix	trans	-62.2	-48.5	176	178.3	-95.2	0	0	0	112.2	S197 Q198 S203 H204 A205	S197-F201 PolarHBondContact O-N 2.81Å; Q198-F201 PolarHBondContact O-N 2.62Å; F201-S203 VanDerWaalsContact C-N 3.35Å; F201-S203 PolarHBondContact O-N 2.79Å; F201-H204 PolarHBondContact O-N 2.91Å; F201-A205 PolarHBondContact O-N 3.45Å
202	Y	96.4	Very high	94.7	Very high	71 Å²	71	49.3 Å²	49.3	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-43.1	178.8	-68.8	-54.7	0	0	0	112	R140 Q198 A199 A205 E206	R140-Y202 HydrophobicContact CG-CD2 3.95Å; R140-Y202 HydrophobicContact CG-CE2 4.46Å; R140-Y202 HydrophobicContact CG-CG 4.11Å; Q198-Y202 HydrophobicContact CB-CD2 4.39Å; Q198-Y202 HydrophobicContact CB-CE2 4.02Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.43Å; Q198-Y202 PolarHBondContact O-N 3.5Å; A199-Y202 PolarHBondContact O-N 2.71Å; Y202-A205 PolarHBondContact O-N 3.38Å; Y202-E206 WeakPolarHBondContact O-CB 3.34Å; Y202-E206 PolarHBondContact O-N 3.31Å
203	S	97.6	Very high	94.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-71.3	-35	-178	61.6	0	0	0	0	113.6	W162 A199 N200 F201 E206 A207	W162-S203 PolarHBondContact NE1-OG 3.21Å; A199-S203 WeakPolarHBondContact O-CB 2.95Å; A199-S203 PolarHBondContact O-N 3.34Å; A199-S203 PolarHBondContact O-OG 3.28Å; N200-S203 PolarHBondContact O-N 2.73Å; N200-S203 PolarHBondContact O-OG 3.3Å; F201-S203 VanDerWaalsContact C-N 3.35Å; F201-S203 PolarHBondContact O-N 2.79Å; S203-E206 PolarHBondContact O-N 3.02Å; S203-A207 VanDerWaalsContact O-CB 3.24Å; S203-A207 WeakPolarHBondContact O-CB 3.49Å; S203-A207 PolarHBondContact O-N 3.21Å
204	H	96.1	Very high	95.1	Very high	51 Å²	51	47 Å²	47	24%	0.236	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-47.4	168.4	174.5	70.6	0	0	0	111.8	N200 F201 E206 A207 T208 V214 H397	N200-H204 VanDerWaalsContact O-CB 3.27Å; N200-H204 WeakPolarHBondContact O-CB 3.5Å; N200-H204 PolarHBondContact O-N 2.82Å; F201-H204 PolarHBondContact O-N 2.91Å; H204-E206 PolarHBondContact O-N 2.75Å; H204-A207 PolarHBondContact O-N 2.97Å; H204-T208 WeakPolarHBondContact O-CB 3.44Å; H204-T208 PolarHBondContact O-N 3.1Å; H204-T208 PolarHBondContact O-OG1 3.46Å; H204-V214 HydrophobicContact CB-CG1 4.39Å; H204-H397 AromaticContact CE1-CD2 3.67Å; H204-H397 AromaticContact CE1-CG 3.46Å; H204-H397 VanDerWaalsContact CE1-CG 3.46Å; H204-H397 AromaticContact CE1-ND1 3.97Å
205	A	95.1	Very high	95.2	Very high	36 Å²	36	40.5 Å²	40.5	30%	0.298	20%	0.2	S	C	.	.	H	α-helix	trans	-62.3	-43.8	178.8	0	0	0	0	0	112.1	F201 Y202 T208 K209	F201-A205 PolarHBondContact O-N 3.45Å; Y202-A205 PolarHBondContact O-N 3.38Å; A205-T208 PolarHBondContact O-N 2.7Å; A205-K209 WeakPolarHBondContact O-CG 3.31Å; A205-K209 PolarHBondContact O-N 2.91Å; A205-K209 VanDerWaalsContact O-N 3.15Å
206	E	95.8	Very high	95.3	Very high	14 Å²	14	41 Å²	41	7%	0.065	21%	0.205	C	C	.	.	H	α-helix	trans	-68.1	-40.1	180	-163	53.2	-140.8	0	0	112.2	L143 E144 F147 Y202 S203 H204 T208 K209 R210	L143-E206 HydrophobicContact CD2-CB 4.04Å; L143-E206 HydrophobicContact CD2-CG 4.44Å; E144-E206 HydrophobicContact CG-CG 4.15Å; F147-E206 HydrophobicContact CD2-CB 4.05Å; F147-E206 HydrophobicContact CD2-CG 3.72Å; F147-E206 HydrophobicContact CE2-CB 4.07Å; F147-E206 HydrophobicContact CE2-CG 4.23Å; Y202-E206 WeakPolarHBondContact O-CB 3.34Å; Y202-E206 PolarHBondContact O-N 3.31Å; S203-E206 PolarHBondContact O-N 3.02Å; H204-E206 PolarHBondContact O-N 2.75Å; E206-T208 VanDerWaalsContact C-N 3.31Å; E206-T208 PolarHBondContact O-N 3.49Å; E206-K209 PolarHBondContact O-N 2.92Å; E206-K209 WeakPolarHBondContact OE2-CD 3.33Å; E206-K209 WeakPolarHBondContact OE2-CE 3.48Å; E206-K209 IonicContact OE2-NZ 2.68Å; E206-K209 PolarHBondContact OE2-NZ 3.29Å; E206-R210 PolarHBondContact O-N 2.96Å
207	A	94.8	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-41.9	175.8	0	0	0	0	0	110.8	F147 W162 S203 H204 K209 R210 C211 F212 V214	F147-A207 HydrophobicContact CD2-CB 4.5Å; F147-A207 VanDerWaalsContact CE2-CA 3.49Å; F147-A207 HydrophobicContact CE2-CB 3.68Å; F147-A207 HydrophobicContact CZ-CB 4.27Å; W162-A207 HydrophobicContact CB-CB 4.41Å; S203-A207 VanDerWaalsContact O-CB 3.24Å; S203-A207 WeakPolarHBondContact O-CB 3.49Å; S203-A207 PolarHBondContact O-N 3.21Å; H204-A207 PolarHBondContact O-N 2.97Å; A207-K209 PolarHBondContact O-N 3.41Å; A207-R210 CarbonylContact O-C 3.59Å; A207-R210 PolarHBondContact O-N 3.47Å; A207-R210 VanDerWaalsContact O-N 3.09Å; A207-C211 PolarHBondContact O-N 3.41Å; A207-F212 HydrophobicContact CB-CB 4.13Å; A207-F212 PolarHBondContact O-N 3.38Å; A207-V214 HydrophobicContact CB-CG2 3.42Å; A207-V214 VanDerWaalsContact CB-CG2 3.42Å
208	T	89.9	Confident	95.3	Very high	53 Å²	53	39.7 Å²	39.7	33%	0.325	19%	0.192	S	C	.	.	H	α-helix	trans	-61	-42	177.9	-57.3	0	0	0	0	111.8	H204 A205 E206 R210 C211	H204-T208 WeakPolarHBondContact O-CB 3.44Å; H204-T208 PolarHBondContact O-N 3.1Å; H204-T208 PolarHBondContact O-OG1 3.46Å; A205-T208 PolarHBondContact O-N 2.7Å; E206-T208 VanDerWaalsContact C-N 3.31Å; E206-T208 PolarHBondContact O-N 3.49Å; T208-R210 PolarHBondContact O-N 2.86Å; T208-C211 PolarHBondContact O-N 3.08Å; T208-C211 VanDerWaalsContact O-N 3.13Å
209	K	91.7	Very high	95.2	Very high	142 Å²	142	40.3 Å²	40.3	62%	0.617	19%	0.194	S	C	*	.	H	α-helix	trans	-58.4	-31.8	176	-68.4	174.7	-166	166.5	0	112.7	A205 E206 A207	A205-K209 WeakPolarHBondContact O-CG 3.31Å; A205-K209 PolarHBondContact O-N 2.91Å; A205-K209 VanDerWaalsContact O-N 3.15Å; E206-K209 PolarHBondContact O-N 2.92Å; E206-K209 WeakPolarHBondContact OE2-CD 3.33Å; E206-K209 WeakPolarHBondContact OE2-CE 3.48Å; E206-K209 IonicContact OE2-NZ 2.68Å; E206-K209 PolarHBondContact OE2-NZ 3.29Å; A207-K209 PolarHBondContact O-N 3.41Å
210	R	87.8	Confident	95	Very high	85 Å²	85	41.5 Å²	41.5	32%	0.321	20%	0.2	S	C	.	.	H	α-helix	trans	-96	-0.7	-177.6	-60.4	-67.3	-177.9	167.9	-0.5	113.5	F147 D151 E206 A207 T208 F212	F147-R210 HydrophobicContact CB-CG 4.25Å; D151-R210 IonicContact OD2-NH1 2.67Å; E206-R210 PolarHBondContact O-N 2.96Å; A207-R210 CarbonylContact O-C 3.59Å; A207-R210 PolarHBondContact O-N 3.47Å; A207-R210 VanDerWaalsContact O-N 3.09Å; T208-R210 PolarHBondContact O-N 2.86Å; R210-F212 VanDerWaalsContact C-N 3.28Å; R210-F212 HydrophobicContact CB-CD1 4.46Å; R210-F212 HydrophobicContact CB-CD2 3.95Å; R210-F212 HydrophobicContact CB-CE1 4.37Å; R210-F212 HydrophobicContact CB-CE2 3.86Å; R210-F212 HydrophobicContact CB-CG 4.25Å; R210-F212 HydrophobicContact CB-CZ 4.07Å; R210-F212 HydrophobicContact CG-CE2 4.44Å
211	C	89.7	Confident	94.9	Very high	40 Å²	40	41 Å²	41	27%	0.27	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	35.6	-174.9	-53.3	0	0	0	0	113.3	A207 T208 F400	A207-C211 PolarHBondContact O-N 3.41Å; T208-C211 PolarHBondContact O-N 3.08Å; T208-C211 VanDerWaalsContact O-N 3.13Å; C211-F400 WeakPolarHBondContact CB-O 3.49Å
212	F	94.4	Very high	94.8	Very high	22 Å²	22	39.7 Å²	39.7	10%	0.096	19%	0.188	C	C	.	.			trans	-85.7	146.5	166.9	-60.6	-27.3	0	0	0	110.3	F147 M150 D151 L160 A207 R210	F147-F212 HydrophobicContact CB-CE2 3.88Å; F147-F212 HydrophobicContact CD1-CD2 4.38Å; F147-F212 HydrophobicContact CD1-CE2 4.17Å; F147-F212 HydrophobicContact CD2-CD2 4.08Å; F147-F212 HydrophobicContact CD2-CE2 4.24Å; F147-F212 HydrophobicContact CE2-CD2 4.42Å; F147-F212 HydrophobicContact CG-CD2 4.1Å; F147-F212 AromaticContact CG-CE2 3.85Å; F147-F212 HydrophobicContact CG-CE2 3.85Å; M150-F212 HydrophobicContact CB-CE2 4.49Å; M150-F212 HydrophobicContact CB-CZ 4.28Å; D151-F212 HydrophobicContact CB-CZ 4.43Å; L160-F212 HydrophobicContact CB-CD1 4.1Å; L160-F212 HydrophobicContact CB-CG 4.33Å; L160-F212 HydrophobicContact CD1-CD1 4.27Å; L160-F212 HydrophobicContact CD1-CD2 4.06Å; L160-F212 HydrophobicContact CD1-CE1 4.19Å; L160-F212 HydrophobicContact CD1-CE2 3.97Å; L160-F212 HydrophobicContact CD1-CG 4.22Å; L160-F212 HydrophobicContact CD1-CZ 4.05Å; L160-F212 HydrophobicContact CD2-CB 3.85Å; L160-F212 HydrophobicContact CD2-CD1 4.48Å; L160-F212 HydrophobicContact CD2-CD2 3.95Å; L160-F212 HydrophobicContact CD2-CG 3.86Å; L160-F212 HydrophobicContact CG-CG 4.36Å; A207-F212 HydrophobicContact CB-CB 4.13Å; A207-F212 PolarHBondContact O-N 3.38Å; R210-F212 VanDerWaalsContact C-N 3.28Å; R210-F212 HydrophobicContact CB-CD1 4.46Å; R210-F212 HydrophobicContact CB-CD2 3.95Å; R210-F212 HydrophobicContact CB-CE1 4.37Å; R210-F212 HydrophobicContact CB-CE2 3.86Å; R210-F212 HydrophobicContact CB-CG 4.25Å; R210-F212 HydrophobicContact CB-CZ 4.07Å; R210-F212 HydrophobicContact CG-CE2 4.44Å
213	D	96.8	Very high	94.5	Very high	18 Å²	18	44.3 Å²	44.3	10%	0.096	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	138.9	-179.1	-71.5	-6.7	0	0	0	109.6	L159 L160 V161 W162 H250 V396 R398 G399	L159-D213 WeakPolarHBondContact CD1-OD2 3.49Å; L160-D213 PolarHBondContact O-N 3.34Å; L160-D213 VanDerWaalsContact O-N 3.1Å; V161-D213 CarbonylContact C-O 3.51Å; V161-D213 WeakPolarHBondContact CA-O 3.39Å; W162-D213 PolarHBondContact N-O 3.04Å; D213-H250 WeakPolarHBondContact CB-NE2 3.47Å; D213-H250 IonicContact OD2-CE1 3.92Å; D213-H250 PolarHBondContact OD2-CE1 3.42Å; D213-H250 IonicContact OD2-NE2 2.82Å; D213-H250 PolarHBondContact OD2-NE2 3.47Å; D213-H250 VanDerWaalsContact OD2-NE2 3.09Å; D213-V396 HydrophobicContact CB-CG1 4.3Å; D213-R398 VanDerWaalsContact OD1-CA 3.31Å; D213-R398 WeakPolarHBondContact OD1-CA 3.23Å; D213-G399 PolarHBondContact OD1-N 3.35Å
214	V	97.8	Very high	94.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.1	-179.2	-177.4	0	0	0	0	110.8	W162 T164 H204 A207 V396 H397	W162-V214 HydrophobicContact CB-CG2 4.43Å; W162-V214 CarbonylContact O-C 3.52Å; W162-V214 VanDerWaalsContact O-CA 3.28Å; W162-V214 WeakPolarHBondContact O-CA 3.43Å; T164-V214 HydrophobicContact CG2-CG1 3.97Å; H204-V214 HydrophobicContact CB-CG1 4.39Å; A207-V214 HydrophobicContact CB-CG2 3.42Å; A207-V214 VanDerWaalsContact CB-CG2 3.42Å; V214-V396 WeakPolarHBondContact O-CA 3.34Å; V214-H397 HydrophobicContact CB-CB 4.33Å; V214-H397 PolarHBondContact N-O 3.08Å; V214-H397 PolarHBondContact O-N 3.48Å
215	L	97.3	Very high	94.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	107	168.5	178.7	62.6	0	0	0	109.5	V161 W162 N163 T164 L217 L246 L247 V396	V161-L215 HydrophobicContact CG1-CB 4.06Å; W162-L215 PolarHBondContact O-N 3.04Å; N163-L215 WeakPolarHBondContact CA-O 3.36Å; N163-L215 WeakPolarHBondContact OD1-CB 3.42Å; T164-L215 PolarHBondContact N-O 3.45Å; T164-L215 VanDerWaalsContact N-O 3.11Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 HydrophobicContact CD2-CD2 3.63Å; L215-L217 HydrophobicContact CG-CD2 3.72Å; L215-L217 HydrophobicContact CG-CG 4.37Å; L215-L217 PolarHBondContact O-N 3.37Å; L215-L246 HydrophobicContact CD1-CB 4.14Å; L215-L246 HydrophobicContact CD2-CB 3.99Å; L215-L247 HydrophobicContact CD2-CD2 3.62Å; L215-L247 HydrophobicContact CD2-CG 3.92Å; L215-V396 HydrophobicContact CD1-CG2 3.73Å
216	D	97	Very high	94	Very high	40 Å²	40	55.5 Å²	55.5	21%	0.214	26%	0.255	C	S	.	.			trans	-77.7	79.7	-179.5	-170.2	-15	0	0	0	111.4	T164 N218 F219 H220	T164-D216 WeakPolarHBondContact OG1-CA 3.48Å; T164-D216 PolarHBondContact OG1-OD1 2.92Å; D216-N218 PolarHBondContact O-N 3.39Å; D216-N218 WeakPolarHBondContact OD1-CA 3.11Å; D216-N218 VanDerWaalsContact OD1-CB 3.26Å; D216-N218 WeakPolarHBondContact OD1-CB 3.43Å; D216-N218 PolarHBondContact OD1-N 2.94Å; D216-F219 HydrophobicContact CB-CB 3.99Å; D216-F219 VanDerWaalsContact CG-CB 3.41Å; D216-F219 PolarHBondContact O-N 2.81Å; D216-F219 PolarHBondContact OD1-N 2.87Å; D216-F219 WeakPolarHBondContact OD2-CB 3.39Å; D216-H220 PolarHBondContact O-CD2 2.82Å; D216-H220 PolarHBondContact O-N 3.43Å
217	L	96.8	Very high	94	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-26.5	173.7	-55.8	-177.1	0	0	0	112.6	N163 T164 M166 L215 F221 L243	N163-L217 HydrophobicContact CB-CD1 3.72Å; N163-L217 HydrophobicContact CB-CG 4.14Å; T164-L217 WeakPolarHBondContact O-CB 3.27Å; T164-L217 PolarHBondContact OG1-N 3.12Å; M166-L217 HydrophobicContact CG-CB 3.84Å; M166-L217 HydrophobicContact CG-CD1 4.03Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 HydrophobicContact CD2-CD2 3.63Å; L215-L217 HydrophobicContact CG-CD2 3.72Å; L215-L217 HydrophobicContact CG-CG 4.37Å; L215-L217 PolarHBondContact O-N 3.37Å; L217-F221 HydrophobicContact CB-CD2 4.31Å; L217-F221 HydrophobicContact CD2-CD2 4.42Å; L217-F221 HydrophobicContact CD2-CE2 3.97Å; L217-F221 WeakPolarHBondContact O-CB 3.27Å; L217-F221 WeakPolarHBondContact O-CD2 3.4Å; L217-F221 PolarHBondContact O-N 3.12Å; L217-F221 VanDerWaalsContact O-N 3.12Å; L217-L243 HydrophobicContact CD1-CD1 3.68Å; L217-L243 HydrophobicContact CD1-CG 4.17Å; L217-L243 HydrophobicContact CD2-CD1 4.19Å; L217-L243 HydrophobicContact CD2-CG 3.83Å
218	N	95.7	Very high	94.1	Very high	43 Å²	43	58.5 Å²	58.5	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-48.4	175.7	-158.7	-89.8	0	0	0	110.1	T164 A165 P167 N200 D216 R222	T164-N218 PolarHBondContact OG1-N 3.33Å; A165-N218 WeakPolarHBondContact O-CB 3.32Å; A165-N218 PolarHBondContact O-ND2 2.85Å; A165-N218 VanDerWaalsContact O-ND2 3.13Å; P167-N218 WeakPolarHBondContact CG-O 3.42Å; N200-N218 PolarHBondContact ND2-ND2 3.27Å; D216-N218 PolarHBondContact O-N 3.39Å; D216-N218 WeakPolarHBondContact OD1-CA 3.11Å; D216-N218 VanDerWaalsContact OD1-CB 3.26Å; D216-N218 WeakPolarHBondContact OD1-CB 3.43Å; D216-N218 PolarHBondContact OD1-N 2.94Å; N218-R222 WeakPolarHBondContact O-CB 3.47Å; N218-R222 PolarHBondContact O-N 3.29Å
219	F	95.4	Very high	94.3	Very high	79 Å²	79	58.9 Å²	58.9	35%	0.346	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-55.9	174.2	178	-91.9	0	0	0	111.1	D216 F221 R222 V395	D216-F219 HydrophobicContact CB-CB 3.99Å; D216-F219 VanDerWaalsContact CG-CB 3.41Å; D216-F219 PolarHBondContact O-N 2.81Å; D216-F219 PolarHBondContact OD1-N 2.87Å; D216-F219 WeakPolarHBondContact OD2-CB 3.39Å; F219-F221 PolarHBondContact O-N 2.88Å; F219-F221 VanDerWaalsContact O-N 3.11Å; F219-R222 VanDerWaalsContact CZ-NH1 3.27Å; F219-R222 WeakPolarHBondContact O-CG 3.35Å; F219-R222 PolarHBondContact O-N 2.79Å; F219-R222 PolarHBondContact O-NH1 2.98Å; F219-V395 HydrophobicContact CD1-CB 4.47Å; F219-V395 HydrophobicContact CE1-CB 4.32Å; F219-V395 HydrophobicContact CE1-CG2 3.95Å
220	H	94.3	Very high	94.4	Very high	26 Å²	26	55.5 Å²	55.5	12%	0.12	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-29	-173.2	-78.2	-65.4	0	0	0	113.9	D216 L246 V395	D216-H220 PolarHBondContact O-CD2 2.82Å; D216-H220 PolarHBondContact O-N 3.43Å; H220-L246 HydrophobicContact CB-CD1 3.93Å; H220-V395 PolarHBondContact NE2-O 3.29Å
221	F	95.7	Very high	94.6	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-110.7	1.8	-174.4	-67.6	-95.5	0	0	0	114.5	M166 P167 L217 F219 Q223 A224 W235 A239 R242 L243 L246	M166-F221 HydrophobicContact CE-CB 3.81Å; M166-F221 HydrophobicContact CE-CD1 3.26Å; M166-F221 HydrophobicContact CE-CD2 3.61Å; M166-F221 HydrophobicContact CE-CE1 3.59Å; M166-F221 HydrophobicContact CE-CE2 3.92Å; M166-F221 HydrophobicContact CE-CG 3.26Å; M166-F221 HydrophobicContact CE-CZ 3.91Å; P167-F221 HydrophobicContact CG-CB 4.34Å; L217-F221 HydrophobicContact CB-CD2 4.31Å; L217-F221 HydrophobicContact CD2-CD2 4.42Å; L217-F221 HydrophobicContact CD2-CE2 3.97Å; L217-F221 WeakPolarHBondContact O-CB 3.27Å; L217-F221 WeakPolarHBondContact O-CD2 3.4Å; L217-F221 PolarHBondContact O-N 3.12Å; L217-F221 VanDerWaalsContact O-N 3.12Å; F219-F221 PolarHBondContact O-N 2.88Å; F219-F221 VanDerWaalsContact O-N 3.11Å; F221-Q223 PolarHBondContact O-N 3.46Å; F221-Q223 VanDerWaalsContact O-N 3.09Å; F221-A224 HydrophobicContact CB-CB 4.29Å; F221-A224 HydrophobicContact CD1-CB 4Å; F221-A224 WeakPolarHBondContact O-CB 3.44Å; F221-A224 PolarHBondContact O-N 3.32Å; F221-W235 HydrophobicContact CB-CH2 3.82Å; F221-W235 HydrophobicContact CB-CZ2 4.27Å; F221-W235 HydrophobicContact CB-CZ3 4.16Å; F221-W235 HydrophobicContact CD1-CE3 4.23Å; F221-W235 HydrophobicContact CD1-CZ3 4.04Å; F221-A239 HydrophobicContact CD1-CB 4.3Å; F221-A239 HydrophobicContact CE1-CB 3.85Å; F221-A239 WeakPolarHBondContact CE1-O 3.28Å; F221-A239 WeakPolarHBondContact CZ-O 3.44Å; F221-R242 HydrophobicContact CE1-CB 4.24Å; F221-R242 HydrophobicContact CE1-CG 4.22Å; F221-R242 HydrophobicContact CZ-CB 4.14Å; F221-R242 HydrophobicContact CZ-CG 3.99Å; F221-L243 HydrophobicContact CE2-CB 4.37Å; F221-L243 HydrophobicContact CZ-CB 3.93Å; F221-L246 HydrophobicContact CE2-CD1 3.98Å; F221-L246 HydrophobicContact CZ-CD1 4.42Å
222	R	94.1	Very high	94.8	Very high	111 Å²	111	50.7 Å²	50.7	42%	0.419	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.4	-179.2	75.7	-166	-178.1	-89.2	10.1	114.6	P167 N218 F219	P167-R222 HydrophobicContact CG-CB 4.42Å; N218-R222 WeakPolarHBondContact O-CB 3.47Å; N218-R222 PolarHBondContact O-N 3.29Å; F219-R222 VanDerWaalsContact CZ-NH1 3.27Å; F219-R222 WeakPolarHBondContact O-CG 3.35Å; F219-R222 PolarHBondContact O-N 2.79Å; F219-R222 PolarHBondContact O-NH1 2.98Å
223	Q	91.9	Very high	94.8	Very high	169 Å²	169	50 Å²	50	79%	0.79	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	1.9	178	-65.2	-177.4	-14.2	0	0	113.2	F221 K225	F221-Q223 PolarHBondContact O-N 3.46Å; F221-Q223 VanDerWaalsContact O-N 3.09Å; Q223-K225 VanDerWaalsContact C-N 3.31Å; Q223-K225 PolarHBondContact O-N 2.9Å
224	A	93.4	Very high	94.7	Very high	9 Å²	9	50.9 Å²	50.9	7%	0.074	25%	0.253	C	S	.	.			trans	-93	20.6	-174.9	0	0	0	0	0	113.1	F221 K226 H227 W235	F221-A224 HydrophobicContact CB-CB 4.29Å; F221-A224 HydrophobicContact CD1-CB 4Å; F221-A224 WeakPolarHBondContact O-CB 3.44Å; F221-A224 PolarHBondContact O-N 3.32Å; A224-K226 PolarHBondContact O-N 2.87Å; A224-H227 WeakPolarHBondContact O-CB 3.31Å; A224-H227 PolarHBondContact O-N 3.26Å; A224-W235 HydrophobicContact CB-CH2 4.4Å; A224-W235 HydrophobicContact CB-CZ3 3.84Å; A224-W235 VanDerWaalsContact O-CZ3 3.3Å; A224-W235 WeakPolarHBondContact O-CZ3 3.41Å
225	K	90.3	Very high	94.7	Very high	129 Å²	129	51.2 Å²	51.2	56%	0.561	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-51.2	-27.5	-171.6	-68	-170.5	178.4	-171.7	0	114.9	D170 Q223 H227 L228	D170-K225 IonicContact OD2-NZ 3.08Å; Q223-K225 VanDerWaalsContact C-N 3.31Å; Q223-K225 PolarHBondContact O-N 2.9Å; K225-H227 PolarHBondContact O-N 3.49Å; K225-H227 VanDerWaalsContact O-N 3.15Å; K225-L228 VanDerWaalsContact O-CB 3.31Å; K225-L228 WeakPolarHBondContact O-CB 3.46Å; K225-L228 PolarHBondContact O-N 3.25Å
226	K	94.3	Very high	94.7	Very high	183 Å²	183	52.1 Å²	52.1	80%	0.796	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-58.8	-21.5	175.1	68.5	178.7	-175.5	174.8	0	114.2	A224	A224-K226 PolarHBondContact O-N 2.87Å
227	H	96.2	Very high	94.7	Very high	38 Å²	38	52 Å²	52	18%	0.176	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-96.4	-5.3	178.9	-62.9	-56.6	0	0	0	113.3	A224 K225 W235 N236 A239	A224-H227 WeakPolarHBondContact O-CB 3.31Å; A224-H227 PolarHBondContact O-N 3.26Å; K225-H227 PolarHBondContact O-N 3.49Å; K225-H227 VanDerWaalsContact O-N 3.15Å; H227-W235 HydrophobicContact CB-CE3 3.86Å; H227-W235 HydrophobicContact CB-CZ3 4.19Å; H227-W235 CarbonylContact O-C 3.5Å; H227-W235 WeakPolarHBondContact O-CA 3.16Å; H227-N236 WeakPolarHBondContact CB-OD1 3.36Å; H227-N236 PolarHBondContact ND1-ND2 3.03Å; H227-N236 PolarHBondContact ND1-OD1 3.14Å; H227-N236 PolarHBondContact O-N 3.38Å; H227-A239 HydrophobicContact CB-CB 3.75Å
228	L	95.8	Very high	94.7	Very high	39 Å²	39	56.4 Å²	56.4	20%	0.204	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-76.8	131.8	176.9	-176.6	73.6	0	0	0	109.5	K225 H234 W235	K225-L228 VanDerWaalsContact O-CB 3.31Å; K225-L228 WeakPolarHBondContact O-CB 3.46Å; K225-L228 PolarHBondContact O-N 3.25Å; L228-H234 WeakPolarHBondContact CD1-O 3.37Å; L228-W235 HydrophobicContact CB-CD2 4.44Å; L228-W235 HydrophobicContact CB-CE3 4.36Å; L228-W235 HydrophobicContact CB-CH2 4.34Å; L228-W235 HydrophobicContact CB-CZ2 4.4Å; L228-W235 HydrophobicContact CB-CZ3 4.33Å; L228-W235 HydrophobicContact CD1-CD2 4Å; L228-W235 VanDerWaalsContact CD1-CE2 3.46Å; L228-W235 HydrophobicContact CD1-CG 4.32Å; L228-W235 HydrophobicContact CD1-CZ2 3.77Å
229	Q	95.1	Very high	94.8	Very high	61 Å²	61	54.3 Å²	54.3	29%	0.285	27%	0.267	S	S	.	.			trans	-74.1	157.4	179.5	-65.7	-65.3	-20.8	0	0	111.7	D231 G232 H234	Q229-D231 PolarHBondContact O-N 2.91Å; Q229-G232 PolarHBondContact O-N 3.42Å; Q229-H234 HydrophobicContact CB-CB 4.25Å; Q229-H234 VanDerWaalsContact CB-O 3.28Å; Q229-H234 WeakPolarHBondContact CB-O 3.24Å; Q229-H234 HydrophobicContact CG-CB 4.24Å; Q229-H234 WeakPolarHBondContact CG-O 3.29Å; Q229-H234 PolarHBondContact N-O 2.92Å
230	G	91.9	Very high	94.9	Very high	71 Å²	71	50.7 Å²	50.7	73%	0.732	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-3	-178.1	0	0	0	0	0	115.3
231	D	92.4	Very high	95	Very high	22 Å²	22	50 Å²	50	12%	0.118	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.7	170.2	66.5	21.1	0	0	0	114.7	I172 K173 F176 Q229 V233 H234	I172-D231 WeakPolarHBondContact CA-O 3.22Å; K173-D231 HydrophobicContact CB-CB 4.27Å; K173-D231 HydrophobicContact CD-CB 3.63Å; K173-D231 HydrophobicContact CG-CB 4.02Å; K173-D231 PolarHBondContact N-O 3.27Å; F176-D231 HydrophobicContact CD2-CB 4.32Å; F176-D231 HydrophobicContact CE2-CB 3.8Å; Q229-D231 PolarHBondContact O-N 2.91Å; D231-V233 VanDerWaalsContact C-N 3.3Å; D231-V233 PolarHBondContact O-N 2.81Å; D231-V233 PolarHBondContact OD1-N 3.5Å; D231-H234 PolarHBondContact OD1-N 3.3Å; D231-H234 IonicContact OD1-ND1 3.12Å; D231-H234 IonicContact OD2-CE1 2.82Å; D231-H234 IonicContact OD2-CG 2.77Å; D231-H234 IonicContact OD2-ND1 3.83Å; D231-H234 PolarHBondContact OD2-ND1 2.97Å
232	G	93.9	Very high	95.1	Very high	3 Å²	3	55 Å²	55	3%	0.031	27%	0.266	C	S	.	.	S	Bend	trans	77.9	6.7	177.4	0	0	0	0	0	115.5	G169 K171 Q229	G169-G232 PolarHBondContact N-O 2.9Å; K171-G232 VanDerWaalsContact O-CA 3.31Å; K171-G232 WeakPolarHBondContact O-CA 2.98Å; Q229-G232 PolarHBondContact O-N 3.42Å
233	V	94.3	Very high	95.2	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.042	25%	0.246	C	C	.	.	S	Bend	trans	-126.1	-47.4	-177.3	173.7	0	0	0	0	111.2	L125 L168 I172 F176 D231	L125-V233 HydrophobicContact CD2-CB 4.4Å; L125-V233 HydrophobicContact CD2-CG1 3.48Å; L125-V233 VanDerWaalsContact CD2-CG1 3.48Å; L125-V233 HydrophobicContact CD2-CG2 4.02Å; L168-V233 HydrophobicContact CD2-CG2 4.44Å; I172-V233 HydrophobicContact CG2-CG2 3.94Å; F176-V233 HydrophobicContact CB-CG2 4.01Å; F176-V233 HydrophobicContact CD2-CG2 4.36Å; F176-V233 HydrophobicContact CG-CG2 4.03Å; D231-V233 VanDerWaalsContact C-N 3.3Å; D231-V233 PolarHBondContact O-N 2.81Å; D231-V233 PolarHBondContact OD1-N 3.5Å
234	H	95.9	Very high	95.5	Very high	37 Å²	37	41.6 Å²	41.6	17%	0.171	21%	0.208	C	C	.	.			trans	-87.1	161.6	-175.8	-63.4	103.5	0	0	0	112.4	S24 F176 L228 Q229 D231	S24-H234 VanDerWaalsContact CB-NE2 3.32Å; S24-H234 WeakPolarHBondContact CB-NE2 3.35Å; S24-H234 PolarHBondContact OG-NE2 3.34Å; F176-H234 AromaticContact CE1-CE1 3.41Å; F176-H234 VanDerWaalsContact CE1-CE1 3.41Å; F176-H234 WeakPolarHBondContact CE1-CE1 3.43Å; F176-H234 AromaticContact CZ-CE1 3.36Å; F176-H234 WeakPolarHBondContact CZ-CE1 3.48Å; F176-H234 AromaticContact CZ-ND1 3.77Å; L228-H234 WeakPolarHBondContact CD1-O 3.37Å; Q229-H234 HydrophobicContact CB-CB 4.25Å; Q229-H234 VanDerWaalsContact CB-O 3.28Å; Q229-H234 WeakPolarHBondContact CB-O 3.24Å; Q229-H234 HydrophobicContact CG-CB 4.24Å; Q229-H234 WeakPolarHBondContact CG-O 3.29Å; Q229-H234 PolarHBondContact N-O 2.92Å; D231-H234 PolarHBondContact OD1-N 3.3Å; D231-H234 IonicContact OD1-ND1 3.12Å; D231-H234 IonicContact OD2-CE1 2.82Å; D231-H234 IonicContact OD2-CG 2.77Å; D231-H234 IonicContact OD2-ND1 3.83Å; D231-H234 PolarHBondContact OD2-ND1 2.97Å
235	W	97.3	Very high	95.7	Very high	6 Å²	6	41.8 Å²	41.8	2%	0.023	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-125.5	156.9	-177.2	-67.4	75.6	0	0	0	110.1	M166 P167 F221 A224 H227 L228 A239 H240	M166-W235 HydrophobicContact CB-CZ2 4.3Å; M166-W235 HydrophobicContact CE-CB 4.47Å; M166-W235 HydrophobicContact CE-CD2 3.5Å; M166-W235 HydrophobicContact CE-CE3 3.95Å; M166-W235 HydrophobicContact CE-CG 3.73Å; M166-W235 HydrophobicContact CE-CZ2 4.14Å; M166-W235 HydrophobicContact CE-CZ3 4.43Å; M166-W235 HydrophobicContact SD-CD2 4.34Å; M166-W235 HydrophobicContact SD-CG 4.04Å; P167-W235 HydrophobicContact CB-CZ2 4.4Å; P167-W235 HydrophobicContact CG-CZ2 4.47Å; P167-W235 WeakPolarHBondContact O-CZ2 3.42Å; F221-W235 HydrophobicContact CB-CH2 3.82Å; F221-W235 HydrophobicContact CB-CZ2 4.27Å; F221-W235 HydrophobicContact CB-CZ3 4.16Å; F221-W235 HydrophobicContact CD1-CE3 4.23Å; F221-W235 HydrophobicContact CD1-CZ3 4.04Å; A224-W235 HydrophobicContact CB-CH2 4.4Å; A224-W235 HydrophobicContact CB-CZ3 3.84Å; A224-W235 VanDerWaalsContact O-CZ3 3.3Å; A224-W235 WeakPolarHBondContact O-CZ3 3.41Å; H227-W235 HydrophobicContact CB-CE3 3.86Å; H227-W235 HydrophobicContact CB-CZ3 4.19Å; H227-W235 CarbonylContact O-C 3.5Å; H227-W235 WeakPolarHBondContact O-CA 3.16Å; L228-W235 HydrophobicContact CB-CD2 4.44Å; L228-W235 HydrophobicContact CB-CE3 4.36Å; L228-W235 HydrophobicContact CB-CH2 4.34Å; L228-W235 HydrophobicContact CB-CZ2 4.4Å; L228-W235 HydrophobicContact CB-CZ3 4.33Å; L228-W235 HydrophobicContact CD1-CD2 4Å; L228-W235 VanDerWaalsContact CD1-CE2 3.46Å; L228-W235 HydrophobicContact CD1-CG 4.32Å; L228-W235 HydrophobicContact CD1-CZ2 3.77Å; W235-A239 HydrophobicContact CB-CB 3.79Å; W235-A239 HydrophobicContact CD2-CB 4.34Å; W235-A239 HydrophobicContact CE3-CB 3.74Å; W235-A239 HydrophobicContact CG-CB 4.41Å; W235-H240 PolarHBondContact O-CD2 2.9Å
236	N	97.4	Very high	96	Very high	20 Å²	20	36 Å²	36	11%	0.107	18%	0.182	C	C	.	.			trans	-77.9	174.4	179.3	85.4	-15	0	0	0	112.7	H227 H238 A239 H240	H227-N236 WeakPolarHBondContact CB-OD1 3.36Å; H227-N236 PolarHBondContact ND1-ND2 3.03Å; H227-N236 PolarHBondContact ND1-OD1 3.14Å; H227-N236 PolarHBondContact O-N 3.38Å; N236-H238 VanDerWaalsContact C-N 3.29Å; N236-H238 PolarHBondContact O-N 3.05Å; N236-H238 PolarHBondContact OD1-N 2.86Å; N236-A239 PolarHBondContact O-N 3.23Å; N236-A239 VanDerWaalsContact O-N 3.12Å; N236-A239 PolarHBondContact OD1-N 2.97Å; N236-A239 VanDerWaalsContact OD1-N 3.08Å; N236-H240 PolarHBondContact O-CD2 2.96Å; N236-H240 PolarHBondContact O-N 2.72Å; N236-H240 VanDerWaalsContact O-N 3.09Å
237	E	97.1	Very high	96.1	Very high	37 Å²	37	27.2 Å²	27.2	17%	0.173	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-38.2	-178	61.1	-65.8	143.8	0	0	113.1	L42 L43 L48 A239 H240 R241	L42-E237 HydrophobicContact CB-CB 4.2Å; L42-E237 HydrophobicContact CB-CG 4.09Å; L42-E237 HydrophobicContact CD1-CG 4.12Å; L43-E237 HydrophobicContact CB-CB 4.3Å; L43-E237 WeakPolarHBondContact O-CB 3.14Å; L48-E237 HydrophobicContact CD1-CB 3.91Å; E237-A239 PolarHBondContact O-N 3.31Å; E237-H240 PolarHBondContact O-N 2.78Å; E237-R241 WeakPolarHBondContact O-CB 3.49Å; E237-R241 PolarHBondContact O-N 3.09Å
238	H	96.8	Very high	96.2	Very high	93 Å²	93	25.4 Å²	25.4	43%	0.431	14%	0.136	S	C	.	.	H	α-helix	trans	-66.5	-38.7	177.4	-65.1	-78.1	0	0	0	112.5	L42 N236 R242	L42-H238 WeakPolarHBondContact CD1-CE1 3.41Å; L42-H238 WeakPolarHBondContact CD1-ND1 3.23Å; N236-H238 VanDerWaalsContact C-N 3.29Å; N236-H238 PolarHBondContact O-N 3.05Å; N236-H238 PolarHBondContact OD1-N 2.86Å; H238-R242 VanDerWaalsContact O-CB 3.3Å; H238-R242 WeakPolarHBondContact O-CB 3.19Å; H238-R242 PolarHBondContact O-N 2.56Å
239	A	97.1	Very high	96.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.4	-39.5	175.5	0	0	0	0	0	112	F221 H227 W235 N236 E237 R242 L243	F221-A239 HydrophobicContact CD1-CB 4.3Å; F221-A239 HydrophobicContact CE1-CB 3.85Å; F221-A239 WeakPolarHBondContact CE1-O 3.28Å; F221-A239 WeakPolarHBondContact CZ-O 3.44Å; H227-A239 HydrophobicContact CB-CB 3.75Å; W235-A239 HydrophobicContact CB-CB 3.79Å; W235-A239 HydrophobicContact CD2-CB 4.34Å; W235-A239 HydrophobicContact CE3-CB 3.74Å; W235-A239 HydrophobicContact CG-CB 4.41Å; N236-A239 PolarHBondContact O-N 3.23Å; N236-A239 VanDerWaalsContact O-N 3.12Å; N236-A239 PolarHBondContact OD1-N 2.97Å; N236-A239 VanDerWaalsContact OD1-N 3.08Å; E237-A239 PolarHBondContact O-N 3.31Å; A239-R242 WeakPolarHBondContact O-CB 3.39Å; A239-R242 PolarHBondContact O-N 3.28Å; A239-L243 WeakPolarHBondContact O-CB 3.4Å; A239-L243 PolarHBondContact O-N 2.84Å
240	H	97.9	Very high	96.2	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.014	12%	0.117	C	C	.	.	H	α-helix	trans	-66.3	-43.1	174.9	-78.8	-69.6	0	0	0	112.3	V25 A28 W235 N236 E237 R242 L243 S244	V25-H240 PolarHBondContact O-CE1 3.04Å; V25-H240 VanDerWaalsContact O-CE1 3.23Å; A28-H240 WeakPolarHBondContact CB-CE1 3.27Å; W235-H240 PolarHBondContact O-CD2 2.9Å; N236-H240 PolarHBondContact O-CD2 2.96Å; N236-H240 PolarHBondContact O-N 2.72Å; N236-H240 VanDerWaalsContact O-N 3.09Å; E237-H240 PolarHBondContact O-N 2.78Å; H240-R242 VanDerWaalsContact C-N 3.31Å; H240-R242 PolarHBondContact O-N 3.42Å; H240-L243 WeakPolarHBondContact O-CA 3.03Å; H240-L243 WeakPolarHBondContact O-CB 3.06Å; H240-L243 PolarHBondContact O-N 3.42Å; H240-L243 VanDerWaalsContact O-N 3.07Å; H240-S244 PolarHBondContact O-N 3.35Å; H240-S244 PolarHBondContact O-OG 2.78Å
241	R	97.4	Very high	96.4	Very high	10 Å²	10	18 Å²	18	4%	0.038	8%	0.083	C	C	.	.	H	α-helix	trans	-59.3	-42.7	173.2	-177.9	54	52.2	85.7	3.3	112.4	D32 C41 L42 E237 L243 S244 Y245	D32-R241 IonicContact OD1-CZ 3.5Å; D32-R241 IonicContact OD1-NE 2.73Å; D32-R241 PolarHBondContact OD1-NE 3.4Å; D32-R241 VanDerWaalsContact OD1-NE 3.08Å; D32-R241 IonicContact OD1-NH2 3.35Å; D32-R241 PolarHBondContact OD1-NH2 3.37Å; D32-R241 WeakPolarHBondContact OD2-CA 3.31Å; D32-R241 IonicContact OD2-CZ 2.82Å; D32-R241 IonicContact OD2-NE 3.92Å; D32-R241 PolarHBondContact OD2-NE 3.04Å; D32-R241 IonicContact OD2-NH2 3.94Å; C41-R241 PolarHBondContact O-NH1 2.99Å; C41-R241 PolarHBondContact O-NH2 2.94Å; L42-R241 HydrophobicContact CD2-CB 3.52Å; L42-R241 HydrophobicContact CD2-CG 3.73Å; E237-R241 WeakPolarHBondContact O-CB 3.49Å; E237-R241 PolarHBondContact O-N 3.09Å; R241-L243 VanDerWaalsContact C-N 3.29Å; R241-L243 PolarHBondContact O-N 3.29Å; R241-S244 PolarHBondContact O-N 3.29Å; R241-Y245 VanDerWaalsContact CD-CZ 3.46Å; R241-Y245 HydrophobicContact CG-CD2 4.11Å; R241-Y245 HydrophobicContact CG-CE2 3.62Å; R241-Y245 PolarHBondContact O-N 3.5Å
242	R	96.6	Very high	96.6	Very high	106 Å²	106	16.9 Å²	16.9	40%	0.4	8%	0.077	S	C	.	.	H	α-helix	trans	-58.9	-41.6	174.4	-177.4	177.6	177.3	145.3	-3.2	111.6	M1 F221 H238 A239 H240 Y245 L246	M1-R242 HydrophobicContact CE-CG 3.41Å; M1-R242 VanDerWaalsContact CE-CG 3.41Å; M1-R242 HydrophobicContact SD-CB 4.28Å; M1-R242 HydrophobicContact SD-CG 3.55Å; M1-R242 VanDerWaalsContact SD-CG 3.55Å; F221-R242 HydrophobicContact CE1-CB 4.24Å; F221-R242 HydrophobicContact CE1-CG 4.22Å; F221-R242 HydrophobicContact CZ-CB 4.14Å; F221-R242 HydrophobicContact CZ-CG 3.99Å; H238-R242 VanDerWaalsContact O-CB 3.3Å; H238-R242 WeakPolarHBondContact O-CB 3.19Å; H238-R242 PolarHBondContact O-N 2.56Å; A239-R242 WeakPolarHBondContact O-CB 3.39Å; A239-R242 PolarHBondContact O-N 3.28Å; H240-R242 VanDerWaalsContact C-N 3.31Å; H240-R242 PolarHBondContact O-N 3.42Å; R242-Y245 PolarHBondContact O-N 3.3Å; R242-L246 WeakPolarHBondContact O-CG 3.17Å; R242-L246 PolarHBondContact O-N 3.43Å; R242-L246 VanDerWaalsContact O-N 3.1Å
243	L	97.1	Very high	96.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.2	-48.8	177.3	-167.9	168.6	0	0	0	110.4	V29 M166 L217 F221 A239 H240 R241 Y245 L246 L247	V29-L243 HydrophobicContact CB-CD2 4.45Å; V29-L243 HydrophobicContact CG1-CD2 3.98Å; V29-L243 HydrophobicContact CG2-CD1 3.62Å; V29-L243 HydrophobicContact CG2-CD2 3.55Å; V29-L243 HydrophobicContact CG2-CG 4.15Å; M166-L243 HydrophobicContact SD-CD1 4.1Å; L217-L243 HydrophobicContact CD1-CD1 3.68Å; L217-L243 HydrophobicContact CD1-CG 4.17Å; L217-L243 HydrophobicContact CD2-CD1 4.19Å; L217-L243 HydrophobicContact CD2-CG 3.83Å; F221-L243 HydrophobicContact CE2-CB 4.37Å; F221-L243 HydrophobicContact CZ-CB 3.93Å; A239-L243 WeakPolarHBondContact O-CB 3.4Å; A239-L243 PolarHBondContact O-N 2.84Å; H240-L243 WeakPolarHBondContact O-CA 3.03Å; H240-L243 WeakPolarHBondContact O-CB 3.06Å; H240-L243 PolarHBondContact O-N 3.42Å; H240-L243 VanDerWaalsContact O-N 3.07Å; R241-L243 VanDerWaalsContact C-N 3.29Å; R241-L243 PolarHBondContact O-N 3.29Å; L243-Y245 VanDerWaalsContact C-N 3.3Å; L243-Y245 PolarHBondContact O-N 2.87Å; L243-L246 WeakPolarHBondContact O-CB 3.39Å; L243-L246 PolarHBondContact O-N 3.12Å; L243-L247 HydrophobicContact CD2-CD1 3.33Å; L243-L247 HydrophobicContact CD2-CG 3.88Å; L243-L247 PolarHBondContact O-N 3Å
244	S	97.9	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.2	-43.2	176	-56.5	0	0	0	0	111.9	D32 H240 R241 L246 L247 L248	D32-S244 WeakPolarHBondContact OD2-CB 3.42Å; D32-S244 PolarHBondContact OD2-OG 2.92Å; H240-S244 PolarHBondContact O-N 3.35Å; H240-S244 PolarHBondContact O-OG 2.78Å; R241-S244 PolarHBondContact O-N 3.29Å; S244-L246 PolarHBondContact O-N 2.75Å; S244-L247 PolarHBondContact O-N 3.14Å; S244-L248 WeakPolarHBondContact O-CB 3.5Å; S244-L248 WeakPolarHBondContact O-CD1 3.42Å; S244-L248 VanDerWaalsContact O-CG 3.23Å; S244-L248 WeakPolarHBondContact O-CG 3.41Å; S244-L248 PolarHBondContact O-N 2.86Å
245	Y	96.5	Very high	96.6	Very high	12 Å²	12	22.5 Å²	22.5	5%	0.047	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-33.9	175.6	-69.6	-28	0	0	0	114.1	M1 R3 L4 L36 R241 R242 L243 L248 A249 W272	M1-Y245 HydrophobicContact SD-CD2 4.32Å; R3-Y245 HydrophobicContact CB-CE2 3.91Å; R3-Y245 HydrophobicContact CG-CE2 4.01Å; L4-Y245 HydrophobicContact CB-CD1 4.17Å; L4-Y245 HydrophobicContact CB-CE1 3.82Å; L4-Y245 HydrophobicContact CG-CD1 4.35Å; L4-Y245 HydrophobicContact CG-CE1 4.47Å; L4-Y245 WeakPolarHBondContact O-CE1 3.37Å; L4-Y245 PolarHBondContact O-OH 3.03Å; L36-Y245 HydrophobicContact CD2-CE1 3.95Å; R241-Y245 VanDerWaalsContact CD-CZ 3.46Å; R241-Y245 HydrophobicContact CG-CD2 4.11Å; R241-Y245 HydrophobicContact CG-CE2 3.62Å; R241-Y245 PolarHBondContact O-N 3.5Å; R242-Y245 PolarHBondContact O-N 3.3Å; L243-Y245 VanDerWaalsContact C-N 3.3Å; L243-Y245 PolarHBondContact O-N 2.87Å; Y245-L248 HydrophobicContact CD1-CD1 4.36Å; Y245-A249 WeakPolarHBondContact O-CB 3.19Å; Y245-A249 PolarHBondContact O-N 2.77Å; Y245-W272 VanDerWaalsContact OH-CZ2 3.25Å; Y245-W272 WeakPolarHBondContact OH-CZ2 3.47Å
246	L	96.7	Very high	96.5	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-43.6	172.4	-70.8	166.1	0	0	0	111.1	M1 L215 H220 F221 R242 L243 S244 H250 P394	M1-L246 HydrophobicContact CE-CD1 4.1Å; M1-L246 HydrophobicContact CE-CD2 3.49Å; M1-L246 VanDerWaalsContact CE-CD2 3.49Å; M1-L246 HydrophobicContact CE-CG 3.52Å; L215-L246 HydrophobicContact CD1-CB 4.14Å; L215-L246 HydrophobicContact CD2-CB 3.99Å; H220-L246 HydrophobicContact CB-CD1 3.93Å; F221-L246 HydrophobicContact CE2-CD1 3.98Å; F221-L246 HydrophobicContact CZ-CD1 4.42Å; R242-L246 WeakPolarHBondContact O-CG 3.17Å; R242-L246 PolarHBondContact O-N 3.43Å; R242-L246 VanDerWaalsContact O-N 3.1Å; L243-L246 WeakPolarHBondContact O-CB 3.39Å; L243-L246 PolarHBondContact O-N 3.12Å; S244-L246 PolarHBondContact O-N 2.75Å; L246-H250 WeakPolarHBondContact O-CB 3.4Å; L246-H250 PolarHBondContact O-N 3.28Å; L246-P394 HydrophobicContact CD2-CB 3.83Å; L246-P394 HydrophobicContact CD2-CG 4.26Å
247	L	97.8	Very high	96.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-51.1	177.8	-72.4	170.8	0	0	0	111.9	V29 I120 V161 L215 L243 S244 A249 H250 M251	V29-L247 HydrophobicContact CG1-CD1 3.74Å; I120-L247 HydrophobicContact CD1-CD1 4Å; I120-L247 HydrophobicContact CG1-CD1 4.35Å; I120-L247 HydrophobicContact CG1-CD2 4.3Å; I120-L247 HydrophobicContact CG2-CD1 3.83Å; I120-L247 HydrophobicContact CG2-CD2 4.02Å; V161-L247 HydrophobicContact CG1-CD2 3.94Å; L215-L247 HydrophobicContact CD2-CD2 3.62Å; L215-L247 HydrophobicContact CD2-CG 3.92Å; L243-L247 HydrophobicContact CD2-CD1 3.33Å; L243-L247 HydrophobicContact CD2-CG 3.88Å; L243-L247 PolarHBondContact O-N 3Å; S244-L247 PolarHBondContact O-N 3.14Å; L247-A249 VanDerWaalsContact C-N 3.31Å; L247-A249 PolarHBondContact O-N 3.15Å; L247-H250 WeakPolarHBondContact O-CB 3.33Å; L247-H250 PolarHBondContact O-N 3.49Å; L247-H250 VanDerWaalsContact O-N 3.12Å; L247-M251 HydrophobicContact CB-CE 4.09Å; L247-M251 VanDerWaalsContact O-CG 3.3Å; L247-M251 WeakPolarHBondContact O-CG 3.37Å; L247-M251 PolarHBondContact O-N 3.36Å
248	L	97.5	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-40	-179.5	-68.8	163.6	0	0	0	111.4	L4 V9 L12 L13 L33 L36 S244 Y245 H250 M251 A252	L4-L248 HydrophobicContact CD1-CB 3.6Å; L4-L248 HydrophobicContact CD1-CD1 4.06Å; L4-L248 HydrophobicContact CD1-CG 4.41Å; V9-L248 HydrophobicContact CG1-CD1 4.2Å; V9-L248 HydrophobicContact CG1-CD2 3.99Å; V9-L248 HydrophobicContact CG2-CD1 3.73Å; L12-L248 HydrophobicContact CD2-CB 4.21Å; L12-L248 HydrophobicContact CD2-CD2 4.08Å; L12-L248 WeakPolarHBondContact CD2-O 3.16Å; L13-L248 HydrophobicContact CD1-CD2 3.97Å; L13-L248 HydrophobicContact CD2-CD2 4.41Å; L13-L248 HydrophobicContact CG-CD2 4.26Å; L33-L248 HydrophobicContact CD2-CD1 4.2Å; L33-L248 HydrophobicContact CD2-CD2 4.2Å; L33-L248 HydrophobicContact CD2-CG 4.22Å; L36-L248 HydrophobicContact CD2-CD1 3.91Å; S244-L248 WeakPolarHBondContact O-CB 3.5Å; S244-L248 WeakPolarHBondContact O-CD1 3.42Å; S244-L248 VanDerWaalsContact O-CG 3.23Å; S244-L248 WeakPolarHBondContact O-CG 3.41Å; S244-L248 PolarHBondContact O-N 2.86Å; Y245-L248 HydrophobicContact CD1-CD1 4.36Å; L248-H250 VanDerWaalsContact C-N 3.29Å; L248-H250 PolarHBondContact O-N 3.45Å; L248-M251 HydrophobicContact CD2-SD 4.22Å; L248-M251 PolarHBondContact O-N 3.26Å; L248-A252 WeakPolarHBondContact O-CB 3.44Å; L248-A252 PolarHBondContact O-N 2.88Å
249	A	95.5	Very high	95.8	Very high	12 Å²	12	32.1 Å²	32.1	10%	0.099	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-37.4	175.7	0	0	0	0	0	112.2	Y245 L247 D253 L259 P394	Y245-A249 WeakPolarHBondContact O-CB 3.19Å; Y245-A249 PolarHBondContact O-N 2.77Å; L247-A249 VanDerWaalsContact C-N 3.31Å; L247-A249 PolarHBondContact O-N 3.15Å; A249-D253 VanDerWaalsContact O-CB 3.22Å; A249-D253 WeakPolarHBondContact O-CB 3.48Å; A249-D253 PolarHBondContact O-N 3.38Å; A249-D253 VanDerWaalsContact O-N 3.07Å; A249-L259 HydrophobicContact CB-CD1 3.71Å; A249-P394 HydrophobicContact CB-CG 3.88Å
250	H	95.9	Very high	95.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-68.2	-41.4	174.5	177	44.5	0	0	0	112.6	D213 L246 L247 L248 D253 A254 V396	D213-H250 WeakPolarHBondContact CB-NE2 3.47Å; D213-H250 IonicContact OD2-CE1 3.92Å; D213-H250 PolarHBondContact OD2-CE1 3.42Å; D213-H250 IonicContact OD2-NE2 2.82Å; D213-H250 PolarHBondContact OD2-NE2 3.47Å; D213-H250 VanDerWaalsContact OD2-NE2 3.09Å; L246-H250 WeakPolarHBondContact O-CB 3.4Å; L246-H250 PolarHBondContact O-N 3.28Å; L247-H250 WeakPolarHBondContact O-CB 3.33Å; L247-H250 PolarHBondContact O-N 3.49Å; L247-H250 VanDerWaalsContact O-N 3.12Å; L248-H250 VanDerWaalsContact C-N 3.29Å; L248-H250 PolarHBondContact O-N 3.45Å; H250-D253 PolarHBondContact O-N 2.91Å; H250-A254 WeakPolarHBondContact O-CB 3.39Å; H250-A254 PolarHBondContact O-N 3.38Å; H250-V396 HydrophobicContact CB-CG2 4.08Å
251	M	96.7	Very high	94.4	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-45.9	175.3	-66.9	164.6	-169.5	0	0	111.6	L13 V118 I120 L159 L247 L248 D253 A254 W255	L13-M251 HydrophobicContact CD2-SD 4.06Å; V118-M251 HydrophobicContact CG1-CE 3.78Å; V118-M251 HydrophobicContact CG1-CG 4.5Å; V118-M251 HydrophobicContact CG2-CG 4.49Å; I120-M251 HydrophobicContact CD1-CE 3.61Å; I120-M251 HydrophobicContact CG1-CE 3.9Å; L159-M251 HydrophobicContact CD2-CG 4.18Å; L247-M251 HydrophobicContact CB-CE 4.09Å; L247-M251 VanDerWaalsContact O-CG 3.3Å; L247-M251 WeakPolarHBondContact O-CG 3.37Å; L247-M251 PolarHBondContact O-N 3.36Å; L248-M251 HydrophobicContact CD2-SD 4.22Å; L248-M251 PolarHBondContact O-N 3.26Å; M251-D253 VanDerWaalsContact C-N 3.34Å; M251-D253 PolarHBondContact O-N 3.04Å; M251-A254 PolarHBondContact O-N 3.16Å; M251-W255 HydrophobicContact CB-CE3 4.24Å; M251-W255 HydrophobicContact CB-CH2 4.28Å; M251-W255 HydrophobicContact CB-CZ3 4.03Å; M251-W255 WeakPolarHBondContact O-CB 3.18Å; M251-W255 PolarHBondContact O-N 3.05Å
252	A	96.1	Very high	93.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-46.3	176.5	0	0	0	0	0	111.6	L12 L248 A254 W255 G256 V257 L259	L12-A252 HydrophobicContact CD1-CB 3.84Å; L12-A252 HydrophobicContact CD2-CB 4.08Å; L248-A252 WeakPolarHBondContact O-CB 3.44Å; L248-A252 PolarHBondContact O-N 2.88Å; A252-A254 PolarHBondContact O-N 3.45Å; A252-W255 CarbonylContact O-C 3.6Å; A252-W255 PolarHBondContact O-N 3.24Å; A252-G256 PolarHBondContact O-N 2.86Å; A252-V257 HydrophobicContact CB-CB 4.17Å; A252-V257 PolarHBondContact O-N 3.25Å; A252-L259 HydrophobicContact CB-CD1 4.32Å; A252-L259 HydrophobicContact CB-CD2 3.34Å; A252-L259 HydrophobicContact CB-CG 3.79Å
253	D	94.7	Very high	91.6	Very high	72 Å²	72	44.7 Å²	44.7	39%	0.385	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-37	176.7	179	48.5	0	0	0	112.9	A249 H250 M251 R398	A249-D253 VanDerWaalsContact O-CB 3.22Å; A249-D253 WeakPolarHBondContact O-CB 3.48Å; A249-D253 PolarHBondContact O-N 3.38Å; A249-D253 VanDerWaalsContact O-N 3.07Å; H250-D253 PolarHBondContact O-N 2.91Å; M251-D253 VanDerWaalsContact C-N 3.34Å; M251-D253 PolarHBondContact O-N 3.04Å; D253-R398 IonicContact OD1-NH2 3.4Å; D253-R398 PolarHBondContact OD1-NH2 2.94Å; D253-R398 IonicContact OD2-CZ 2.81Å; D253-R398 IonicContact OD2-NE 2.61Å; D253-R398 PolarHBondContact OD2-NE 3.26Å; D253-R398 IonicContact OD2-NH2 2.8Å; D253-R398 PolarHBondContact OD2-NH2 3.35Å
254	A	93.5	Very high	89.7	Confident	35 Å²	35	49.5 Å²	49.5	29%	0.289	27%	0.273	S	S	.	.	H	α-helix	trans	-68.9	-33.2	174.5	0	0	0	0	0	112.7	L159 H250 M251 A252	L159-A254 HydrophobicContact CD1-CB 4.14Å; L159-A254 HydrophobicContact CD2-CB 3.76Å; H250-A254 WeakPolarHBondContact O-CB 3.39Å; H250-A254 PolarHBondContact O-N 3.38Å; M251-A254 PolarHBondContact O-N 3.16Å; A252-A254 PolarHBondContact O-N 3.45Å
255	W	95.1	Very high	87.4	Confident	58 Å²	58	60.8 Å²	60.8	22%	0.22	32%	0.316	C	S	.	.	H	α-helix	trans	-92.8	-0.5	178.7	-62.4	-28	0	0	0	114.3	L12 L13 K16 V118 M251 A252 V257	L12-W255 HydrophobicContact CD1-CE3 3.77Å; L12-W255 HydrophobicContact CD1-CZ3 4.01Å; L12-W255 HydrophobicContact CG-CE3 4.45Å; L12-W255 HydrophobicContact CG-CZ3 4.19Å; L12-W255 WeakPolarHBondContact O-CZ3 3.37Å; L13-W255 HydrophobicContact CD2-CH2 4.03Å; L13-W255 HydrophobicContact CD2-CZ3 4.02Å; K16-W255 HydrophobicContact CD-CH2 4.1Å; K16-W255 HydrophobicContact CD-CZ2 4.28Å; K16-W255 HydrophobicContact CG-CH2 3.89Å; K16-W255 HydrophobicContact CG-CZ3 4.31Å; V118-W255 HydrophobicContact CG2-CH2 3.68Å; V118-W255 HydrophobicContact CG2-CZ2 3.37Å; M251-W255 HydrophobicContact CB-CE3 4.24Å; M251-W255 HydrophobicContact CB-CH2 4.28Å; M251-W255 HydrophobicContact CB-CZ3 4.03Å; M251-W255 WeakPolarHBondContact O-CB 3.18Å; M251-W255 PolarHBondContact O-N 3.05Å; A252-W255 CarbonylContact O-C 3.6Å; A252-W255 PolarHBondContact O-N 3.24Å; W255-V257 VanDerWaalsContact C-N 3.28Å; W255-V257 HydrophobicContact CB-CG2 4.11Å; W255-V257 PolarHBondContact O-N 2.61Å
256	G	94.6	Very high	85.2	Confident	67 Å²	67	66.5 Å²	66.5	69%	0.691	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	25.9	-178.1	0	0	0	0	0	113.7	A252	A252-G256 PolarHBondContact O-N 2.86Å
257	V	94.6	Very high	82.8	Confident	56 Å²	56	71.4 Å²	71.4	34%	0.339	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-89.1	122.7	176.3	179	0	0	0	0	109	L12 A252 W255 L259	L12-V257 HydrophobicContact CD1-CB 4.13Å; L12-V257 HydrophobicContact CD1-CG1 4.13Å; L12-V257 HydrophobicContact CD1-CG2 4.2Å; A252-V257 HydrophobicContact CB-CB 4.17Å; A252-V257 PolarHBondContact O-N 3.25Å; W255-V257 VanDerWaalsContact C-N 3.28Å; W255-V257 HydrophobicContact CB-CG2 4.11Å; W255-V257 PolarHBondContact O-N 2.61Å; V257-L259 PolarHBondContact O-N 3.43Å
258	E	92.4	Very high	80.6	Confident	187 Å²	187	75 Å²	75	87%	0.874	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-72.5	125.7	173.4	-68	-175.8	176.7	0	0	110.1
259	L	89.6	Confident	78.3	Confident	47 Å²	47	77.9 Å²	77.9	25%	0.246	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-79	150.7	174.4	-64.7	179.3	0	0	0	110.7	V2 L4 A249 A252 V257 H261	V2-L259 HydrophobicContact CB-CD1 4.25Å; V2-L259 HydrophobicContact CG1-CB 4.18Å; V2-L259 HydrophobicContact CG1-CD1 4.36Å; V2-L259 HydrophobicContact CG2-CD1 4.4Å; L4-L259 HydrophobicContact CD1-CD2 4.28Å; L4-L259 HydrophobicContact CD2-CD2 3.91Å; A249-L259 HydrophobicContact CB-CD1 3.71Å; A252-L259 HydrophobicContact CB-CD1 4.32Å; A252-L259 HydrophobicContact CB-CD2 3.34Å; A252-L259 HydrophobicContact CB-CG 3.79Å; V257-L259 PolarHBondContact O-N 3.43Å; L259-H261 PolarHBondContact O-N 2.95Å
260	P	87.7	Confident	76	Confident	38 Å²	38	83.7 Å²	83.7	25%	0.247	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-53.8	133.9	175.4	27	-40.5	0	0	0	111.6	V2 L4 E8 R262	V2-P260 HydrophobicContact CG1-CG 4.35Å; L4-P260 HydrophobicContact CD2-CG 3.76Å; E8-P260 WeakPolarHBondContact OE1-CB 3.37Å; E8-P260 VanDerWaalsContact OE1-CG 3.3Å; E8-P260 WeakPolarHBondContact OE1-CG 3.45Å; P260-R262 PolarHBondContact O-N 3.48Å
261	H	79	Confident	73.6	Confident	172 Å²	172	86.1 Å²	86.1	80%	0.796	47%	0.467	S	S	*	.			trans	-80.3	115	169.3	-162.7	78.7	0	0	0	108.6	L259 D263	L259-H261 PolarHBondContact O-N 2.95Å; H261-D263 IonicContact NE2-OD1 3.99Å
262	R	74.4	Confident	71.1	Confident	80 Å²	80	87.5 Å²	87.5	30%	0.302	47%	0.473	S	S	.	.			trans	-115.4	125	169.6	-71.2	-176.2	170.7	96.1	17	108.6	R3 L5 E8 P260	R3-R262 PolarHBondContact O-NH1 2.65Å; L5-R262 VanDerWaalsContact CG-NH2 3.34Å; E8-R262 VanDerWaalsContact CD-NH2 3.31Å; E8-R262 IonicContact OE1-CZ 3.41Å; E8-R262 IonicContact OE1-NH1 3.33Å; E8-R262 PolarHBondContact OE1-NH1 3.47Å; E8-R262 IonicContact OE1-NH2 2.7Å; E8-R262 PolarHBondContact OE1-NH2 3.02Å; E8-R262 IonicContact OE2-CZ 3.48Å; E8-R262 IonicContact OE2-NH1 2.74Å; E8-R262 PolarHBondContact OE2-NH1 3Å; E8-R262 IonicContact OE2-NH2 3.27Å; E8-R262 PolarHBondContact OE2-NH2 2.66Å; P260-R262 PolarHBondContact O-N 3.48Å
263	D	61.3	Low	68.5	Low	94 Å²	94	96 Å²	96	50%	0.503	51%	0.513	S	S	.	.			trans	-61.9	139	173.6	-84.1	-46.1	0	0	0	109.7	H261 W265 E266	H261-D263 IonicContact NE2-OD1 3.99Å; D263-W265 PolarHBondContact O-N 2.99Å; D263-E266 HydrophobicContact CB-CG 4.21Å; D263-E266 PolarHBondContact O-N 3.22Å
264	P	56.3	Low	65.7	Low	101 Å²	101	96.4 Å²	96.4	66%	0.656	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.5	178.4	-23.1	33.2	0	0	0	114.6
265	W	49.1	Very low	63.1	Low	236 Å²	236	100 Å²	100	89%	0.894	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-3.8	-173.5	-56.7	109.3	0	0	0	113.9	D263	D263-W265 PolarHBondContact O-N 2.99Å
266	E	50.8	Low	60.3	Low	133 Å²	133	100.1 Å²	100.1	62%	0.621	56%	0.561	S	S	*	*	S	Bend	trans	-65.1	124.8	170.7	-79.6	-71.9	141.3	0	0	108.7	D263 D268	D263-E266 HydrophobicContact CB-CG 4.21Å; D263-E266 PolarHBondContact O-N 3.22Å; E266-D268 PolarHBondContact O-N 3.38Å
267	P	46	Very low	57.3	Low	109 Å²	109	104.7 Å²	104.7	71%	0.708	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-58.3	137.6	176.2	13	-15.9	0	0	0	109.5
268	D	51.7	Low	54.4	Low	75 Å²	75	108 Å²	108	40%	0.401	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-52.5	139.1	178.6	-80.4	-21.8	0	0	0	109.4	R3 E266 V270 W272	R3-D268 IonicContact CZ-OD1 2.99Å; R3-D268 IonicContact CZ-OD2 3.34Å; R3-D268 IonicContact NE-OD1 3.77Å; R3-D268 IonicContact NH1-OD1 2.71Å; R3-D268 PolarHBondContact NH1-OD1 3.03Å; R3-D268 IonicContact NH1-OD2 2.62Å; R3-D268 PolarHBondContact NH1-OD2 3.27Å; R3-D268 IonicContact NH2-OD1 3.08Å; R3-D268 PolarHBondContact NH2-OD1 3.46Å; R3-D268 VanDerWaalsContact NH2-OD1 3.08Å; R3-D268 IonicContact NH2-OD2 3.02Å; R3-D268 PolarHBondContact NH2-OD2 3.31Å; E266-D268 PolarHBondContact O-N 3.38Å; D268-V270 PolarHBondContact O-N 3.32Å; D268-W272 HydrophobicContact CB-CE3 4.47Å
269	P	49.4	Very low	51.5	Low	62 Å²	62	106.8 Å²	106.8	40%	0.403	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-51	117.9	162.2	-18.2	28.8	0	0	0	106.5	L5 A271 W272	L5-P269 HydrophobicContact CD2-CG 4.4Å; P269-A271 PolarHBondContact O-N 3.02Å; P269-W272 HydrophobicContact CG-CH2 4.47Å; P269-W272 HydrophobicContact CG-CZ3 4.09Å; P269-W272 PolarHBondContact O-N 3.18Å
270	V	46.3	Very low	48.5	Very low	133 Å²	133	111.4 Å²	111.4	81%	0.806	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-52.9	-6.1	-175.4	-178.8	0	0	0	0	113	D268	D268-V270 PolarHBondContact O-N 3.32Å
271	A	45.7	Very low	45.6	Very low	52 Å²	52	120.6 Å²	120.6	43%	0.43	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-75.9	-20.6	-177.3	0	0	0	0	0	116.1	P269 E273	P269-A271 PolarHBondContact O-N 3.02Å; A271-E273 VanDerWaalsContact C-N 3.34Å; A271-E273 PolarHBondContact O-N 2.85Å
272	W	45.9	Very low	43.1	Very low	31 Å²	31	118.7 Å²	118.7	12%	0.117	62%	0.624	C	S	.	*	G	3₁₀ helix	trans	-75.1	-18.7	-176.9	-85	-47.8	0	0	0	114.9	R3 L5 D40 Y245 D268 P269	R3-W272 HydrophobicContact CB-CH2 4.06Å; L5-W272 HydrophobicContact CD2-CH2 4.41Å; D40-W272 PolarHBondContact O-NE1 2.86Å; Y245-W272 VanDerWaalsContact OH-CZ2 3.25Å; Y245-W272 WeakPolarHBondContact OH-CZ2 3.47Å; D268-W272 HydrophobicContact CB-CE3 4.47Å; P269-W272 HydrophobicContact CG-CH2 4.47Å; P269-W272 HydrophobicContact CG-CZ3 4.09Å; P269-W272 PolarHBondContact O-N 3.18Å
273	E	40	Very low	41	Very low	179 Å²	179	120.9 Å²	120.9	84%	0.836	65%	0.649	S	S	*	*	S	Bend	trans	-98.6	-8.2	-175.3	-63.5	-161.1	155.6	0	0	114.4	A271 P275	A271-E273 VanDerWaalsContact C-N 3.34Å; A271-E273 PolarHBondContact O-N 2.85Å; E273-P275 VanDerWaalsContact O-CD 3.25Å; E273-P275 WeakPolarHBondContact O-CD 3.49Å
274	S	37.3	Very low	39.4	Very low	80 Å²	80	126 Å²	126	56%	0.559	67%	0.669	S	S	*	*	S	Bend	trans	-85	112.6	177.2	-66.6	0	0	0	0	109.8	G276	S274-G276 PolarHBondContact O-N 3.38Å
275	P	37.2	Very low	38.1	Very low	110 Å²	110	125.3 Å²	125.3	71%	0.714	67%	0.673	S	S	*	*			trans	-57.3	125.8	164.4	-12.9	28	0	0	0	106.4	E273 L277	E273-P275 VanDerWaalsContact O-CD 3.25Å; E273-P275 WeakPolarHBondContact O-CD 3.49Å; P275-L277 PolarHBondContact O-N 3.37Å
276	G	36.8	Very low	37.3	Very low	61 Å²	61	121.8 Å²	121.8	63%	0.629	67%	0.671	S	S	*	*			trans	-49.8	107.6	179.8	0	0	0	0	0	110	S274 V278	S274-G276 PolarHBondContact O-N 3.38Å; G276-V278 VanDerWaalsContact C-N 3.33Å; G276-V278 PolarHBondContact O-N 3.18Å
277	L	31.4	Very low	36.4	Very low	163 Å²	163	127.5 Å²	127.5	85%	0.853	69%	0.687	S	S	*	*			trans	-64.7	105.4	165.2	-152	78.3	0	0	0	104.1	P275 E279	P275-L277 PolarHBondContact O-N 3.37Å; L277-E279 PolarHBondContact O-N 3.01Å
278	V	34.7	Very low	35.6	Very low	124 Å²	124	125.6 Å²	125.6	75%	0.752	69%	0.687	S	S	*	*			trans	-62.9	105.7	167	176.5	0	0	0	0	104.5	G276 E280	G276-V278 VanDerWaalsContact C-N 3.33Å; G276-V278 PolarHBondContact O-N 3.18Å; V278-E280 PolarHBondContact O-N 3.24Å
279	E	31.5	Very low	35	Very low	163 Å²	163	128.1 Å²	128.1	76%	0.762	71%	0.708	S	S	*	*			trans	-61.5	99.3	159.1	-89.3	-174.6	157.4	0	0	106.1	L277 W281	L277-E279 PolarHBondContact O-N 3.01Å; E279-W281 VanDerWaalsContact C-N 3.32Å; E279-W281 PolarHBondContact O-N 2.69Å
280	E	26.5	Very low	34.2	Very low	143 Å²	143	134.5 Å²	134.5	67%	0.668	73%	0.732	S	S	*	*			trans	-64.9	93.8	176.5	-153.1	172.9	-171.1	0	0	107.3	V278 H282	V278-E280 PolarHBondContact O-N 3.24Å; E280-H282 VanDerWaalsContact C-N 3.28Å; E280-H282 PolarHBondContact O-N 3.3Å; E280-H282 IonicContact OE2-CE1 3.75Å; E280-H282 IonicContact OE2-NE2 3.63Å
281	W	25.2	Very low	33.5	Very low	231 Å²	231	132.1 Å²	132.1	88%	0.875	73%	0.726	S	S	*	*			trans	-63.7	93.6	166.9	-90.8	75.5	0	0	0	108.2	E279	E279-W281 VanDerWaalsContact C-N 3.32Å; E279-W281 PolarHBondContact O-N 2.69Å
282	H	26.5	Very low	32.8	Very low	133 Å²	133	139.6 Å²	139.6	62%	0.616	75%	0.75	S	S	*	*			trans	-71.3	125.9	168.5	-72.2	-61.8	0	0	0	109.8	E280 Q284	E280-H282 VanDerWaalsContact C-N 3.28Å; E280-H282 PolarHBondContact O-N 3.3Å; E280-H282 IonicContact OE2-CE1 3.75Å; E280-H282 IonicContact OE2-NE2 3.63Å; H282-Q284 PolarHBondContact O-N 3.32Å
283	P	30.3	Very low	32.1	Very low	126 Å²	126	142.7 Å²	142.7	82%	0.818	78%	0.782	S	S	*	*			trans	-76.7	103.3	167	4	11.7	0	0	0	108.7	A285	P283-A285 PolarHBondContact O-N 3.42Å
284	Q	29.6	Very low	31.6	Very low	200 Å²	200	143.6 Å²	143.6	94%	0.935	79%	0.786	S	S	*	*			trans	-74.7	100.8	167.2	-95.9	173.9	-31.4	0	0	109.6	H282	H282-Q284 PolarHBondContact O-N 3.32Å
285	A	29	Very low	31.5	Very low	88 Å²	88	144 Å²	144	73%	0.727	79%	0.794	S	S	*	*			trans	-95.3	129.9	163.5	0	0	0	0	0	110.4	P283	P283-A285 PolarHBondContact O-N 3.42Å
286	N	32.3	Very low	31.7	Very low	161 Å²	161	144.5 Å²	144.5	86%	0.861	80%	0.797	S	S	*	*			trans	66.4	92.5	160	-75.6	-20.7	0	0	0	120.1
287	R	31.3	Very low	31.9	Very low	253 Å²	253	147.7 Å²	147.7	96%	0.955	81%	0.807	S	S	*	*				-138.5	130.7	123.4	-90.5	-168.1	-171	-166	2.9	110.1
288	G	29.6	Very low	32.4	Very low	69 Å²	69	148 Å²	148	71%	0.711	81%	0.806	S	S	*	*			trans	-70.9	-174.9	174.8	0	0	0	0	0	114
289	P	39.2	Very low	32.6	Very low	129 Å²	129	148 Å²	148	84%	0.838	81%	0.809	S	S	*	*			trans	-94	140.9	-132.1	33.9	-34.4	0	0	0	113.7
290	Q	30.9	Very low	33	Very low	195 Å²	195	148 Å²	148	91%	0.911	81%	0.813	S	S	*	*			trans	-128.5	117	155.6	-81.9	-176.8	-20.4	0	0	109.2
291	A	31.8	Very low	33.5	Very low	83 Å²	83	146.9 Å²	146.9	69%	0.686	82%	0.818	S	S	*	*			trans	-60.3	144	170.9	0	0	0	0	0	110.4
292	F	31.6	Very low	34.2	Very low	210 Å²	210	147.1 Å²	147.1	92%	0.921	82%	0.819	S	S	*	*				-170.2	132.3	125.2	-91.3	-65.7	0	0	0	111.2
293	A	31	Very low	34.8	Very low	96 Å²	96	146.6 Å²	146.6	79%	0.793	83%	0.828	S	S	*	*			trans	59.9	106.1	153.8	0	0	0	0	0	120.5
294	Q	29.5	Very low	35.4	Very low	198 Å²	198	151.9 Å²	151.9	93%	0.925	83%	0.831	S	S	*	*			trans	-69.4	135.6	162	-70.2	175	-12.4	0	0	111.4
295	A	36.1	Very low	36.1	Very low	88 Å²	88	148 Å²	148	73%	0.727	82%	0.824	S	S	*	*			trans	-107	139.2	158.6	0	0	0	0	0	108.9
296	P	41.8	Very low	36.9	Very low	120 Å²	120	151.3 Å²	151.3	78%	0.779	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-73.7	140.8	-173.3	28.6	-32.8	0	0	0	111.8
297	P	40.1	Very low	37.5	Very low	128 Å²	128	152.7 Å²	152.7	83%	0.831	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-78.1	128.3	176.4	28.4	-30.2	0	0	0	111.7
298	M	41.5	Very low	38.1	Very low	170 Å²	170	145.9 Å²	145.9	84%	0.837	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-64.7	138.9	166.9	-69.9	-72.9	-74.8	0	0	110.3	L300	M298-L300 PolarHBondContact O-N 3.08Å
299	P	39.8	Very low	39	Very low	124 Å²	124	148.1 Å²	148.1	81%	0.805	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-76.9	116.6	-179.4	28.2	-30.3	0	0	0	111.2
300	L	40.5	Very low	39.5	Very low	164 Å²	164	148 Å²	148	86%	0.859	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-71.6	138.3	166.1	-80.9	160	0	0	0	110.3	M298	M298-L300 PolarHBondContact O-N 3.08Å
301	P	37.1	Very low	40.1	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71.6	130	-179.3	27.2	-31.1	0	0	0	111.4
302	R	39.3	Very low	40.9	Very low	235 Å²	235	146.2 Å²	146.2	89%	0.887	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-63.3	136.3	175.1	-73.2	179.2	174.6	165.3	-2.1	111.1
303	P	38.9	Very low	41.8	Very low	123 Å²	123	142.1 Å²	142.1	80%	0.799	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-66.9	131.2	165.3	-13.8	27.9	0	0	0	110.2
304	R	42.6	Very low	42.5	Very low	236 Å²	236	145.7 Å²	145.7	89%	0.891	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-71.6	130.2	167.7	-75.2	-178.6	174	-175.6	-1.9	109	L306	R304-L306 PolarHBondContact O-N 3.28Å
305	P	44	Very low	43.1	Very low	120 Å²	120	147.7 Å²	147.7	78%	0.779	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-73.4	119.2	167.6	20.2	-15.8	0	0	0	109.5
306	L	45.5	Very low	43.9	Very low	156 Å²	156	149 Å²	149	82%	0.817	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75	131	155.5	-72.6	159.3	0	0	0	106.1	R304	R304-L306 PolarHBondContact O-N 3.28Å
307	F	45.4	Very low	44.2	Very low	191 Å²	191	148.3 Å²	148.3	84%	0.838	81%	0.813	S	S	*	*	S	Bend	trans	100.9	132.8	-177.9	-57.4	-71.2	0	0	0	116.8
308	P	44.7	Very low	44.4	Very low	109 Å²	109	148.2 Å²	148.2	71%	0.708	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.2	155.2	-180	31.8	-33.6	0	0	0	111.5
309	P	48.8	Very low	44.4	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.3	143.3	-179.7	28.3	-33.5	0	0	0	111.4	G311	P309-G311 PolarHBondContact O-N 3.49Å
310	P	48.8	Very low	44.5	Very low	126 Å²	126	149.3 Å²	149.3	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-66.8	130.6	171.1	26	-30.3	0	0	0	110
311	G	43.4	Very low	44.4	Very low	73 Å²	73	147.6 Å²	147.6	75%	0.753	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-59.5	142.2	175.4	0	0	0	0	0	112	P309	P309-G311 PolarHBondContact O-N 3.49Å
312	L	49.3	Very low	44.4	Very low	167 Å²	167	147.7 Å²	147.7	87%	0.874	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-55.3	138.6	174.2	-65.9	164	0	0	0	110.9	L314	L312-L314 PolarHBondContact O-N 3.4Å
313	P	49.3	Very low	44.4	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-71.8	127.8	170.3	27.8	-29.6	0	0	0	110.2
314	L	45.4	Very low	44.6	Very low	172 Å²	172	144.4 Å²	144.4	90%	0.901	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-59.6	131.1	169.9	-76.9	154	0	0	0	110.1	L312	L312-L314 PolarHBondContact O-N 3.4Å
315	R	42.9	Very low	44.7	Very low	240 Å²	240	138.4 Å²	138.4	91%	0.906	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-58.7	135.4	171.8	-86.3	180	166.5	-177.9	-4.4	110.7
316	P	52.2	Low	45	Very low	114 Å²	114	137.9 Å²	137.9	74%	0.74	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-76.7	146.9	163.1	21.2	-14.8	0	0	0	111.1
317	P	49.3	Very low	44.6	Very low	106 Å²	106	136.8 Å²	136.8	69%	0.688	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71.9	156.8	174.2	29.7	-32.4	0	0	0	111.6	L319	P317-L319 PolarHBondContact O-N 3.19Å
318	P	42.9	Very low	44.4	Very low	127 Å²	127	136.8 Å²	136.8	83%	0.825	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76	126.2	-176.6	31	-31.6	0	0	0	110.4
319	L	42.6	Very low	44.1	Very low	161 Å²	161	136.3 Å²	136.3	84%	0.843	81%	0.814	S	S	*	*			trans	-112.3	105.8	170.5	-70.8	177.5	0	0	0	110.5	P317	P317-L319 PolarHBondContact O-N 3.19Å
320	L	40.9	Very low	43.5	Very low	156 Å²	156	137.1 Å²	137.1	82%	0.817	82%	0.817	S	S	*	*			trans	9.5	131.1	147.8	-62.4	163.6	0	0	0	118.9
321	S	39	Very low	43	Very low	127 Å²	127	136.5 Å²	136.5	89%	0.888	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-53.7	125	173.3	-32	0	0	0	0	113.1
322	C	36.4	Very low	42.7	Very low	121 Å²	121	139 Å²	139	82%	0.818	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-92	144.8	163.4	-78.7	0	0	0	0	111
323	P	40.1	Very low	42.1	Very low	124 Å²	124	138.9 Å²	138.9	81%	0.805	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-76.8	146.5	-170.9	29.4	-33.4	0	0	0	113.6
324	L	43.5	Very low	41.3	Very low	166 Å²	166	138.3 Å²	138.3	87%	0.869	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-61.8	138.4	171.7	-89.1	94.4	0	0	0	111.8
325	P	44.8	Very low	40.8	Very low	110 Å²	110	138.2 Å²	138.2	71%	0.714	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-79.7	152	162.3	31.9	-30.6	0	0	0	111.4
326	P	49.4	Very low	40.1	Very low	109 Å²	109	137.1 Å²	137.1	71%	0.708	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.6	158.5	-179.2	30.4	-33.8	0	0	0	112.3	Q328	P326-Q328 PolarHBondContact O-N 3.26Å
327	P	38	Very low	39.1	Very low	133 Å²	133	136.6 Å²	136.6	86%	0.864	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-69.4	123.8	-176.6	27.3	-32.2	0	0	0	111.3
328	Q	39.8	Very low	38.3	Very low	191 Å²	191	140 Å²	140	89%	0.893	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.9	130.7	170.6	-72.4	-172.5	-19.2	0	0	110.1	P326	P326-Q328 PolarHBondContact O-N 3.26Å
329	A	38.9	Very low	37.6	Very low	98 Å²	98	141.9 Å²	141.9	81%	0.81	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-67.1	133.4	175.8	0	0	0	0	0	111.4
330	T	37.5	Very low	37.1	Very low	135 Å²	135	139.8 Å²	139.8	83%	0.828	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-63.1	129	170.8	30.9	0	0	0	0	111.8
331	P	36.6	Very low	36.8	Very low	112 Å²	112	142.9 Å²	142.9	73%	0.727	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-76.8	150.1	164.4	31.2	-30.9	0	0	0	110.6
332	P	38.1	Very low	36.3	Very low	126 Å²	126	147.4 Å²	147.4	82%	0.818	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-71.9	138.9	-176.6	28.3	-32	0	0	0	111.9
333	L	35.9	Very low	35.8	Very low	164 Å²	164	147.2 Å²	147.2	86%	0.859	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.1	140.9	171.5	-71.5	164.5	0	0	0	110.7	L335	L333-L335 PolarHBondContact O-N 3.36Å
334	P	32.9	Very low	35.3	Very low	113 Å²	113	146 Å²	146	73%	0.734	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73	127.6	168.2	27.8	-29.4	0	0	0	110.7	Y336	P334-Y336 PolarHBondContact O-N 3.26Å
335	L	35.1	Very low	34.7	Very low	169 Å²	169	145.2 Å²	145.2	89%	0.885	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-64	122.2	166.1	-81.2	153.4	0	0	0	109.9	L333	L333-L335 PolarHBondContact O-N 3.36Å
336	Y	28.2	Very low	34	Very low	217 Å²	217	147.9 Å²	147.9	85%	0.851	81%	0.81	S	S	*	*			trans	-134.5	152	157.8	-98	-90.2	0	0	0	110.5	P334	P334-Y336 PolarHBondContact O-N 3.26Å
337	P	30.7	Very low	32.9	Very low	104 Å²	104	148.3 Å²	148.3	68%	0.675	81%	0.81	S	S	*	*			trans	-88.5	160.3	-140.9	33.1	-35.2	0	0	0	114.8	D339	P337-D339 PolarHBondContact O-N 3.38Å
338	Q	32.6	Very low	32.4	Very low	177 Å²	177	150.7 Å²	150.7	83%	0.827	81%	0.807	S	S	*	*			trans	-54.2	119.3	171.9	-69.7	176.8	-27	0	0	111.8
339	D	27.7	Very low	31.7	Very low	166 Å²	166	149.9 Å²	149.9	89%	0.888	80%	0.803	S	S	*	*			trans	-97.2	98.9	155.7	-82.8	-33.9	0	0	0	108.9	P337 Y341	P337-D339 PolarHBondContact O-N 3.38Å; D339-Y341 PolarHBondContact O-N 3.25Å
340	T	33.1	Very low	31.2	Very low	118 Å²	118	150.5 Å²	150.5	72%	0.724	80%	0.801	S	S	*	*			trans	-62.8	106.3	162.4	17.7	0	0	0	0	109.6
341	Y	34.3	Very low	30.6	Very low	220 Å²	220	151.1 Å²	151.1	86%	0.863	80%	0.8	S	S	*	*			trans	-170.7	85.1	147.4	-107.8	-73.5	0	0	0	110.7	D339	D339-Y341 PolarHBondContact O-N 3.25Å
342	F	28.3	Very low	30.2	Very low	222 Å²	222	153.5 Å²	153.5	97%	0.974	80%	0.801	S	S	*	*			trans	-159.9	99	145.7	-90.9	-70.1	0	0	0	107.4
343	S	27	Very low	29.7	Very low	117 Å²	117	156.6 Å²	156.6	82%	0.818	80%	0.802	S	S	*	*			trans	-133.3	110.1	168.4	-179.4	0	0	0	0	108.2
344	S	29.6	Very low	29.1	Very low	99 Å²	99	158.7 Å²	158.7	69%	0.692	80%	0.8	S	S	*	*			trans	174.1	91.7	136.8	38.7	0	0	0	0	110.3
345	D	30.4	Very low	28.8	Very low	149 Å²	149	160.9 Å²	160.9	80%	0.797	80%	0.804	S	S	*	*			trans	-127.4	94.7	149.8	-88.8	-32.6	0	0	0	107.4	V347	D345-V347 PolarHBondContact O-N 3.1Å
346	H	29.7	Very low	28.3	Very low	167 Å²	167	161 Å²	161	77%	0.773	80%	0.799	S	S	*	*			trans	-78.2	105.9	165.5	-75.8	-60.4	0	0	0	108.2	F348	H346-F348 PolarHBondContact O-N 3.45Å
347	V	27.1	Very low	28.2	Very low	117 Å²	117	156.6 Å²	156.6	71%	0.709	80%	0.8	S	S	*	*			trans	-61.8	110.2	169.3	178.5	0	0	0	0	108.7	D345	D345-V347 PolarHBondContact O-N 3.1Å
348	F	26.5	Very low	28.1	Very low	184 Å²	184	160.7 Å²	160.7	81%	0.807	81%	0.811	S	S	*	*			trans	-91.6	108.2	164.4	-90.3	-86.8	0	0	0	108.7	H346	H346-F348 PolarHBondContact O-N 3.45Å
349	H	26.1	Very low	27.9	Very low	174 Å²	174	155.3 Å²	155.3	81%	0.806	80%	0.802	S	S	*	*			trans	-61.6	132	162.5	-79.3	-92.6	0	0	0	109.2
350	S	27.6	Very low	28.2	Very low	111 Å²	111	153.9 Å²	153.9	78%	0.776	80%	0.802	S	S	*	*			trans	-139.9	124.8	167.2	-7.8	0	0	0	0	110.1
351	D	24.8	Very low	28.1	Very low	148 Å²	148	153.6 Å²	153.6	79%	0.791	81%	0.805	S	S	*	*			trans	-60.1	148.2	-175.6	-65.9	-49	0	0	0	114.5	F353	D351-F353 HydrophobicContact CB-CE2 4.19Å
352	E	27.9	Very low	27.9	Very low	162 Å²	162	148.9 Å²	148.9	76%	0.757	80%	0.801	S	S	*	*			trans	-73.6	129.5	177.6	-63.1	-179.9	140.5	0	0	111.8
353	F	27.4	Very low	28.2	Very low	191 Å²	191	144.1 Å²	144.1	84%	0.838	79%	0.793	S	S	*	*			trans	-141.5	113.3	159.6	-72.2	-76.5	0	0	0	110.7	D351	D351-F353 HydrophobicContact CB-CE2 4.19Å
354	Y	24.9	Very low	28.3	Very low	208 Å²	208	147.4 Å²	147.4	82%	0.816	80%	0.795	S	S	*	*			trans	-79.4	135.3	168.7	-89.9	-94.6	0	0	0	110.3
355	I	26.2	Very low	28.2	Very low	158 Å²	158	149.2 Å²	149.2	81%	0.81	80%	0.802	S	S	*	*			trans	-136.3	123.6	160.1	-63.7	-170.8	0	0	0	110.2
356	H	24.5	Very low	27.9	Very low	172 Å²	172	145 Å²	145	80%	0.796	79%	0.794	S	S	*	*			trans	-65.3	141.1	170.9	-68.9	-91.5	0	0	0	111.5
357	S	26.9	Very low	27.9	Very low	124 Å²	124	148.2 Å²	148.2	87%	0.867	80%	0.801	S	S	*	*			trans	-106.2	112	171.8	-67	0	0	0	0	109.8
358	E	27.3	Very low	27.7	Very low	191 Å²	191	149.1 Å²	149.1	89%	0.893	81%	0.807	S	S	*	*			trans	-117.5	135.1	161.8	-85.4	-81.8	155	0	0	106.9
359	G	29.4	Very low	27.7	Very low	63 Å²	63	150.5 Å²	150.5	65%	0.649	81%	0.813	S	S	*	*			trans	-152.6	161.8	169.7	0	0	0	0	0	108.7
360	P	33.8	Very low	27.7	Very low	136 Å²	136	150.9 Å²	150.9	88%	0.883	82%	0.815	S	S	*	*				-140.4	159.7	128.5	26.2	-6.8	0	0	0	115.8
361	S	29.9	Very low	27.7	Very low	113 Å²	113	149.3 Å²	149.3	79%	0.79	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-67.9	167.4	-170.5	-32.3	0	0	0	0	116.7
362	P	30.2	Very low	27.8	Very low	120 Å²	120	149.4 Å²	149.4	78%	0.779	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-97.9	162.7	163.2	36.6	-29.1	0	0	0	113.4
363	P	35	Very low	27.8	Very low	123 Å²	123	149.6 Å²	149.6	80%	0.799	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-97.5	170.2	-167	38.4	-34.6	0	0	0	115.9
364	H	29.7	Very low	27.7	Very low	186 Å²	186	146.4 Å²	146.4	86%	0.861	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-49.4	158.2	-175.9	-64.1	-83.8	0	0	0	118.6
365	T	27.9	Very low	28	Very low	136 Å²	136	145 Å²	145	83%	0.834	82%	0.815	S	S	*	*			trans	-147.7	130.5	142.4	-26.5	0	0	0	0	109.9
366	G	23.8	Very low	28.1	Very low	62 Å²	62	148.6 Å²	148.6	64%	0.639	82%	0.82	S	S	*	*			trans	-94	168.8	-178	0	0	0	0	0	113.4
367	Y	28	Very low	28.5	Very low	234 Å²	234	146 Å²	146	92%	0.918	82%	0.819	S	S	*	*			trans	-146.9	125.5	160.6	-86.5	-80.2	0	0	0	109.8
368	T	24.7	Very low	28.8	Very low	136 Å²	136	148.8 Å²	148.8	83%	0.834	82%	0.818	S	S	*	*			trans	-91.9	143.5	169.2	23	0	0	0	0	109.6
369	F	26.7	Very low	29.1	Very low	212 Å²	212	144.8 Å²	144.8	93%	0.93	81%	0.809	S	S	*	*			trans	-152.7	133.2	143.2	-147.9	-99.1	0	0	0	111.2
370	E	25.7	Very low	29.3	Very low	182 Å²	182	147.7 Å²	147.7	85%	0.85	82%	0.816	S	S	*	*			trans	-86.2	155	179	-123.1	169.4	178.6	0	0	110.4
371	G	27.2	Very low	29.2	Very low	78 Å²	78	147.4 Å²	147.4	80%	0.804	81%	0.811	S	S	*	*			trans	178.2	117.5	171.4	0	0	0	0	0	113.4
372	D	26.9	Very low	29.2	Very low	150 Å²	150	146.2 Å²	146.2	80%	0.802	80%	0.801	S	S	*	*			trans	-70.8	160.8	-158	-92.1	-41.6	0	0	0	119.9
373	F	27.1	Very low	29.3	Very low	166 Å²	166	148.5 Å²	148.5	73%	0.728	81%	0.807	S	S	*	*			trans	-20.9	145.3	161.8	-71.1	-96.3	0	0	0	120.5	F375	F373-F375 HydrophobicContact CD1-CE2 4.2Å; F373-F375 HydrophobicContact CE1-CE2 4.39Å
374	S	26.3	Very low	29	Very low	125 Å²	125	151.3 Å²	151.3	87%	0.874	81%	0.807	S	S	*	*				-166	131.7	125.5	-80.6	0	0	0	0	112.9
375	F	30.2	Very low	29	Very low	177 Å²	177	153.5 Å²	153.5	78%	0.776	81%	0.808	S	S	*	*			trans	-79.4	144.9	171.9	-79.5	-100.7	0	0	0	111.1	F373	F373-F375 HydrophobicContact CD1-CE2 4.2Å; F373-F375 HydrophobicContact CE1-CE2 4.39Å
376	Y	28.1	Very low	29.2	Very low	234 Å²	234	153 Å²	153	92%	0.918	81%	0.806	S	S	*	*			trans	-174.1	165.7	147.2	-94.7	-53.5	0	0	0	111.2
377	P	33.7	Very low	29.5	Very low	117 Å²	117	154.1 Å²	154.1	76%	0.76	80%	0.803	S	S	*	*	P	Polyproline II helix		-97.7	165.3	-120.8	38.4	-36.5	0	0	0	116.4
378	Q	32.7	Very low	29.6	Very low	183 Å²	183	149 Å²	149	86%	0.855	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71.7	144.4	179.9	-65.1	-144.2	-20.4	0	0	114.2
379	P	34.1	Very low	29.9	Very low	107 Å²	107	150 Å²	150	70%	0.695	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-82.5	158.9	168.7	33.3	-32.1	0	0	0	112.4
380	P	33.4	Very low	30.2	Very low	125 Å²	125	148.7 Å²	148.7	81%	0.812	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-73.2	146	-169.7	28.9	-33.8	0	0	0	113.7
381	V	32.1	Very low	31	Very low	129 Å²	129	146.8 Å²	146.8	78%	0.782	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-75.7	128.6	-178.5	-166.7	0	0	0	0	110.7
382	P	29.9	Very low	31.4	Very low	89 Å²	89	151.4 Å²	151.4	58%	0.578	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-80.6	128.9	167	-3.5	20.5	0	0	0	110.4	F384	P382-F384 HydrophobicContact CB-CD2 4.15Å; P382-F384 HydrophobicContact CB-CE2 3.76Å; P382-F384 HydrophobicContact CG-CE2 4.17Å; P382-F384 PolarHBondContact O-N 2.81Å; P382-F384 VanDerWaalsContact O-N 3.09Å
383	N	31.1	Very low	32.5	Very low	168 Å²	168	147.3 Å²	147.3	90%	0.898	76%	0.764	S	S	*	*			trans	-63.9	103.9	170.1	-84.6	-26.9	0	0	0	110.8
384	F	29.3	Very low	33.6	Very low	181 Å²	181	141.4 Å²	141.4	79%	0.794	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-103.5	122.3	164.1	-74.1	-78	0	0	0	109.9	P382	P382-F384 HydrophobicContact CB-CD2 4.15Å; P382-F384 HydrophobicContact CB-CE2 3.76Å; P382-F384 HydrophobicContact CG-CE2 4.17Å; P382-F384 PolarHBondContact O-N 2.81Å; P382-F384 VanDerWaalsContact O-N 3.09Å
385	R	30.9	Very low	35.1	Very low	233 Å²	233	137.8 Å²	137.8	88%	0.879	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-53.7	141.4	165	-66.6	179.7	176.6	-176.2	-1.5	109
386	P	30.5	Very low	36.6	Very low	124 Å²	124	130.5 Å²	130.5	81%	0.805	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-67.1	130	-177.1	25.5	-31	0	0	0	110.4
387	P	30.3	Very low	38.6	Very low	87 Å²	87	123.2 Å²	123.2	57%	0.565	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-68.5	132.8	167.3	-8.4	24	0	0	0	108.6	H389	P387-H389 VanDerWaalsContact C-N 3.34Å; P387-H389 PolarHBondContact O-CD2 3.49Å; P387-H389 PolarHBondContact O-N 2.97Å
388	C	30.7	Very low	40.3	Very low	126 Å²	126	123.8 Å²	123.8	85%	0.851	65%	0.646	S	S	*	*			trans	-60.1	98.7	165.2	-172.1	0	0	0	0	108.1	Q390	C388-Q390 VanDerWaalsContact C-N 3.35Å; C388-Q390 PolarHBondContact O-N 3.5Å
389	H	31.1	Very low	41.1	Very low	157 Å²	157	115.4 Å²	115.4	73%	0.727	61%	0.609	S	S	*	*			trans	-76.9	87.9	177.4	-68	-60.6	0	0	0	109	P387 R391	P387-H389 VanDerWaalsContact C-N 3.34Å; P387-H389 PolarHBondContact O-CD2 3.49Å; P387-H389 PolarHBondContact O-N 2.97Å; H389-R391 VanDerWaalsContact C-N 3.31Å; H389-R391 PolarHBondContact O-N 3.41Å
390	Q	33.7	Very low	41.2	Very low	184 Å²	184	118.1 Å²	118.1	86%	0.86	61%	0.61	S	S	*	*			trans	-57.9	103.8	151.5	-90.8	-177.5	-12.4	0	0	107.1	C388 Q392	C388-Q390 VanDerWaalsContact C-N 3.35Å; C388-Q390 PolarHBondContact O-N 3.5Å; Q390-Q392 PolarHBondContact O-N 2.88Å
391	R	40.8	Very low	41.6	Very low	142 Å²	142	117.3 Å²	117.3	54%	0.536	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-66.7	116.5	179.7	-151.9	178.7	-166.8	-151.7	9	107.5	M1 H389 A393	M1-R391 VanDerWaalsContact C-NH1 3.32Å; M1-R391 VanDerWaalsContact N-CZ 3.3Å; M1-R391 PolarHBondContact O-NH1 3.5Å; M1-R391 PolarHBondContact O-NH2 2.87Å; H389-R391 VanDerWaalsContact C-N 3.31Å; H389-R391 PolarHBondContact O-N 3.41Å; R391-A393 PolarHBondContact O-N 2.86Å
392	Q	37	Very low	42.2	Very low	176 Å²	176	116.7 Å²	116.7	82%	0.822	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-58.6	126.9	177.4	-72.8	174.9	-9.6	0	0	109.4	Q390	Q390-Q392 PolarHBondContact O-N 2.88Å
393	A	49.7	Very low	42.5	Very low	64 Å²	64	123.2 Å²	123.2	53%	0.529	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-51.1	154.6	166	0	0	0	0	0	109.6	R391 V395	R391-A393 PolarHBondContact O-N 2.86Å; A393-V395 PolarHBondContact O-N 2.66Å
394	P	50.3	Low	42.9	Very low	41 Å²	41	123.6 Å²	123.6	27%	0.266	60%	0.595	S	S	.	*			trans	-45.2	132.1	169.8	-25.8	34.5	0	0	0	109.7	L246 A249 V396	L246-P394 HydrophobicContact CD2-CB 3.83Å; L246-P394 HydrophobicContact CD2-CG 4.26Å; A249-P394 HydrophobicContact CB-CG 3.88Å; P394-V396 HydrophobicContact CB-CG2 4.03Å; P394-V396 PolarHBondContact O-N 2.95Å
395	V	57.3	Low	43.3	Very low	50 Å²	50	118.3 Å²	118.3	30%	0.303	59%	0.585	S	S	.	*			trans	-65.3	94	172	-177.6	0	0	0	0	106.9	F219 H220 A393	F219-V395 HydrophobicContact CD1-CB 4.47Å; F219-V395 HydrophobicContact CE1-CB 4.32Å; F219-V395 HydrophobicContact CE1-CG2 3.95Å; H220-V395 PolarHBondContact NE2-O 3.29Å; A393-V395 PolarHBondContact O-N 2.66Å
396	V	62.3	Low	43.6	Very low	24 Å²	24	115.5 Å²	115.5	15%	0.145	58%	0.581	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.6	123	172.5	177.2	0	0	0	0	105.5	D213 V214 L215 H250 P394 R398	D213-V396 HydrophobicContact CB-CG1 4.3Å; V214-V396 WeakPolarHBondContact O-CA 3.34Å; L215-V396 HydrophobicContact CD1-CG2 3.73Å; H250-V396 HydrophobicContact CB-CG2 4.08Å; P394-V396 HydrophobicContact CB-CG2 4.03Å; P394-V396 PolarHBondContact O-N 2.95Å; V396-R398 PolarHBondContact O-N 3.24Å
397	H	68.6	Low	44.4	Very low	80 Å²	80	111 Å²	111	37%	0.37	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.4	100.2	173.5	-60.4	-86	0	0	0	106.7	H204 V214	H204-H397 AromaticContact CE1-CD2 3.67Å; H204-H397 AromaticContact CE1-CG 3.46Å; H204-H397 VanDerWaalsContact CE1-CG 3.46Å; H204-H397 AromaticContact CE1-ND1 3.97Å; V214-H397 HydrophobicContact CB-CB 4.33Å; V214-H397 PolarHBondContact N-O 3.08Å; V214-H397 PolarHBondContact O-N 3.48Å
398	R	69.8	Low	44.9	Very low	129 Å²	129	112 Å²	112	49%	0.487	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-66.5	135.8	175.6	-68	-170.4	-179.4	-160.1	12.3	109.7	D213 D253 V396	D213-R398 VanDerWaalsContact OD1-CA 3.31Å; D213-R398 WeakPolarHBondContact OD1-CA 3.23Å; D253-R398 IonicContact OD1-NH2 3.4Å; D253-R398 PolarHBondContact OD1-NH2 2.94Å; D253-R398 IonicContact OD2-CZ 2.81Å; D253-R398 IonicContact OD2-NE 2.61Å; D253-R398 PolarHBondContact OD2-NE 3.26Å; D253-R398 IonicContact OD2-NH2 2.8Å; D253-R398 PolarHBondContact OD2-NH2 3.35Å; V396-R398 PolarHBondContact O-N 3.24Å
399	G	50.3	Low	45.3	Very low	8 Å²	8	113.3 Å²	113.3	8%	0.082	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-59.4	153.6	159.5	0	0	0	0	0	110.3	D213	D213-G399 PolarHBondContact OD1-N 3.35Å
400	F	36.9	Very low	45.6	Very low	163 Å²	163	110.3 Å²	110.3	72%	0.715	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-57.9	135	172.2	-73.4	-84.5	0	0	0	109.4	C211 R402	C211-F400 WeakPolarHBondContact CB-O 3.49Å; F400-R402 PolarHBondContact O-N 3.5Å
401	P	40.2	Very low	45.7	Very low	108 Å²	108	106.9 Å²	106.9	70%	0.701	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-61.1	116.1	-166.7	19.9	-30.5	0	0	0	111.2	R403	P401-R403 PolarHBondContact O-N 3.13Å
402	R	45.5	Very low	45.4	Very low	117 Å²	117	112.1 Å²	112.1	44%	0.442	56%	0.559	S	S	.	*	S	Bend	trans	-73.5	54.8	159.3	-74.6	-169.9	173	-163	1.6	110	D151 F400	D151-R402 VanDerWaalsContact CG-NH2 3.34Å; D151-R402 IonicContact OD1-CZ 2.73Å; D151-R402 IonicContact OD1-NH1 3.09Å; D151-R402 PolarHBondContact OD1-NH1 3.23Å; D151-R402 IonicContact OD1-NH2 3.81Å; D151-R402 PolarHBondContact OD1-NH2 3.44Å; D151-R402 IonicContact OD2-NH2 3.84Å; D151-R402 PolarHBondContact OD2-NH2 3.41Å; F400-R402 PolarHBondContact O-N 3.5Å
403	R	36.9	Very low	45.3	Very low	226 Å²	226	114.3 Å²	114.3	85%	0.853	56%	0.56	S	S	*	*			trans	56.7	152.2	-173.3	-58.2	-172.1	-171.7	-137.5	1.9	114.3	P401 A405	P401-R403 PolarHBondContact O-N 3.13Å; R403-A405 PolarHBondContact O-N 3.4Å
404	F	38.7	Very low	44.5	Very low	176 Å²	176	119.6 Å²	119.6	77%	0.772	57%	0.573	S	S	*	*			trans	-59.4	119.3	167.8	-66.7	-88.7	0	0	0	108.3	H406	F404-H406 PolarHBondContact O-N 3.33Å
405	A	38.5	Very low	43.7	Very low	69 Å²	69	128.7 Å²	128.7	57%	0.57	60%	0.602	S	S	*	*			trans	-60.6	119.7	156.5	0	0	0	0	0	106	R403 G407	R403-A405 PolarHBondContact O-N 3.4Å; A405-G407 VanDerWaalsContact C-N 3.28Å; A405-G407 PolarHBondContact O-N 3.48Å
406	H	37.3	Very low	42.7	Very low	174 Å²	174	132.2 Å²	132.2	81%	0.806	63%	0.626	S	S	*	*			trans	-65.2	98	167.4	-75	-67	0	0	0	106.7	F404	F404-H406 PolarHBondContact O-N 3.33Å
407	G	45.5	Very low	41.6	Very low	29 Å²	29	142.3 Å²	142.3	30%	0.299	66%	0.662	S	S	.	*			trans	-62	158.3	170.9	0	0	0	0	0	110.3	A405 Y409	A405-G407 VanDerWaalsContact C-N 3.28Å; A405-G407 PolarHBondContact O-N 3.48Å; G407-Y409 PolarHBondContact O-N 3.28Å
408	P	41.7	Very low	40.1	Very low	110 Å²	110	149.5 Å²	149.5	71%	0.714	69%	0.686	S	S	*	*	S	Bend	trans	-64.6	-7.9	177.8	26.4	-33.2	0	0	0	113.4
409	Y	39	Very low	38.5	Very low	153 Å²	153	149.4 Å²	149.4	60%	0.6	70%	0.701	S	S	*	*			trans	-108.2	74.8	179.6	-55	-73.4	0	0	0	110.6	G407 P411	G407-Y409 PolarHBondContact O-N 3.28Å; Y409-P411 WeakPolarHBondContact O-CD 2.91Å
410	T	38.5	Very low	37.9	Very low	94 Å²	94	158 Å²	158	58%	0.577	74%	0.74	S	S	*	*			trans	-78.9	119.7	163.4	18.8	0	0	0	0	109.7	W412	T410-W412 PolarHBondContact O-N 3.07Å
411	P	35	Very low	37.9	Very low	112 Å²	112	162 Å²	162	73%	0.727	75%	0.75	S	S	*	*			trans	-73.9	117.6	160.3	3.2	14.2	0	0	0	107.1	Y409 R413	Y409-P411 WeakPolarHBondContact O-CD 2.91Å; P411-R413 VanDerWaalsContact C-N 3.27Å; P411-R413 PolarHBondContact O-N 2.86Å
412	W	34.2	Very low	37.8	Very low	251 Å²	251	166 Å²	166	95%	0.951	76%	0.759	S	S	*	*			trans	-62.4	90.8	163.1	-75.3	86.5	0	0	0	108.6	T410	T410-W412 PolarHBondContact O-N 3.07Å
413	R	34.7	Very low	37.7	Very low	223 Å²	223	164.6 Å²	164.6	84%	0.842	77%	0.772	S	S	*	*			trans	-123.7	111.8	162.6	-76.5	-151.4	-169.4	-91.9	3.3	111.1	P411	P411-R413 VanDerWaalsContact C-N 3.27Å; P411-R413 PolarHBondContact O-N 2.86Å
414	E	34.1	Very low	37.9	Very low	175 Å²	175	159.5 Å²	159.5	82%	0.818	77%	0.769	S	S	*	*			trans	9.6	130.6	154.6	-63.5	-177.6	147.9	0	0	118.8
415	R	33.6	Very low	37.9	Very low	232 Å²	232	156.8 Å²	156.8	88%	0.875	77%	0.768	S	S	*	*			trans	-43.7	139.6	167.9	-67.8	176.4	178.1	-179.8	-1	111.5	R417	R415-R417 PolarHBondContact O-N 3.07Å
416	P	34.4	Very low	37.8	Very low	124 Å²	124	159 Å²	159	81%	0.805	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-58.8	123.1	171.8	-18.6	29.6	0	0	0	110.3	R418	P416-R418 PolarHBondContact O-N 3.31Å
417	R	40.7	Very low	37.9	Very low	236 Å²	236	158.4 Å²	158.4	89%	0.891	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-60.3	126.2	167.2	-74.2	-176.3	179	178.6	0.5	108.2	R415	R415-R417 PolarHBondContact O-N 3.07Å
418	R	37.1	Very low	37.5	Very low	231 Å²	231	165.2 Å²	165.2	87%	0.872	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-57.7	142.5	173.6	-71.5	-178.1	175.8	-175.1	-1.5	109.8	P416 Q420	P416-R418 PolarHBondContact O-N 3.31Å; R418-Q420 PolarHBondContact O-N 3.02Å
419	P	36.3	Very low	37.6	Very low	126 Å²	126	165.5 Å²	165.5	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-64.4	130.4	170.7	-12.1	26.2	0	0	0	109.6	R421	P419-R421 PolarHBondContact O-N 3.3Å
420	Q	37.8	Very low	37.5	Very low	190 Å²	190	170 Å²	170	89%	0.888	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-60.1	127.6	168.2	-88.1	175	-19.2	0	0	109	R418 H422	R418-Q420 PolarHBondContact O-N 3.02Å; Q420-H422 PolarHBondContact O-N 3.2Å
421	R	35.8	Very low	37.9	Very low	247 Å²	247	170.8 Å²	170.8	93%	0.932	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-62.9	122.8	167.4	-77.9	179.4	175.9	177.7	-2.7	108.1	P419 A423	P419-R421 PolarHBondContact O-N 3.3Å; R421-A423 PolarHBondContact O-N 3.49Å
422	H	38	Very low	38	Very low	191 Å²	191	178.4 Å²	178.4	88%	0.884	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-60.3	128.3	163.3	-78.9	-81	0	0	0	109.3	Q420	Q420-H422 PolarHBondContact O-N 3.2Å
423	A	43.3	Very low	38.1	Very low	88 Å²	88	174.8 Å²	174.8	73%	0.727	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-68.7	147.6	167.6	0	0	0	0	0	109.9	R421	R421-A423 PolarHBondContact O-N 3.49Å
424	P	41.2	Very low	38.3	Very low	119 Å²	119	172.3 Å²	172.3	77%	0.773	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-73.7	153	176.9	30.9	-32.2	0	0	0	110.9
425	P	39.7	Very low	38.6	Very low	118 Å²	118	172.1 Å²	172.1	77%	0.766	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-71.7	133	179.3	29.5	-31.3	0	0	0	110.5	L427	P425-L427 PolarHBondContact O-N 3.36Å
426	C	36.5	Very low	38.9	Very low	115 Å²	115	168.6 Å²	168.6	78%	0.777	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-62.5	116.5	164.2	-172	0	0	0	0	108.3
427	L	39	Very low	39.1	Very low	162 Å²	162	171.4 Å²	171.4	85%	0.848	86%	0.858	S	S	*	*			trans	-96.9	102.2	166	-110.3	150.9	0	0	0	106.7	P425 S429	P425-L427 PolarHBondContact O-N 3.36Å; L427-S429 PolarHBondContact O-N 3.5Å
428	E	37.3	Very low	39	Very low	173 Å²	173	167.1 Å²	167.1	81%	0.808	86%	0.855	S	S	*	*			trans	-60.1	129.2	168.3	-77.2	-179.4	155.8	0	0	109.9
429	S	43.4	Very low	39.2	Very low	116 Å²	116	162.5 Å²	162.5	81%	0.811	85%	0.854	S	S	*	*			trans	-61.2	140.5	168.2	27.4	0	0	0	0	111.5	L427	L427-S429 PolarHBondContact O-N 3.5Å
430	R	36.3	Very low	39.4	Very low	246 Å²	246	165.3 Å²	165.3	93%	0.928	86%	0.857	S	S	*	*			trans	-136.2	153.8	156.3	-92.4	-163.6	179.7	-177.8	1.1	111.4
431	P	47.8	Very low	39.5	Very low	112 Å²	112	163.3 Å²	163.3	73%	0.727	85%	0.854	S	S	*	*			trans	-102.6	150	-143.7	37.5	-31.5	0	0	0	112.7
432	Q	36	Very low	39.9	Very low	272 Å²	272	155.6 Å²	155.6	100%	1.271	85%	0.847	S	S	*	*				-174.9	0	120.1	-98	-179.6	17.6	0	0	109.5

Retrieved 432 of 432 residues in 124.2 ms (Link to these results)

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