A0A077ZHT0_TRITR Loading...

NB-ARC and CARD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHT0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 331 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	87.4	Confident	90.6	Very high	93 Å²	93	33.8 Å²	33.8	46%	0.458	17%	0.172	S	C	.	.				0	148.7	0	-178	173.3	170.2	0	0	108.6	R7 A65 L224 F225	M1-R7 VanDerWaalsContact CE-NH1 3.32Å; M1-A65 CarbonylContact C-O 3.55Å; M1-A65 VanDerWaalsContact CA-O 3.24Å; M1-A65 WeakPolarHBondContact CA-O 3.42Å; M1-L224 HydrophobicContact CE-CD2 3.98Å; M1-L224 HydrophobicContact CE-CG 3.8Å; M1-L224 HydrophobicContact SD-CD2 4.04Å; M1-L224 HydrophobicContact SD-CG 4.42Å; M1-F225 HydrophobicContact CE-CD1 3.21Å; M1-F225 HydrophobicContact CE-CE1 3Å; M1-F225 HydrophobicContact CE-CG 4.17Å; M1-F225 HydrophobicContact CE-CZ 3.81Å; M1-F225 HydrophobicContact CG-CE1 4.37Å; M1-F225 HydrophobicContact SD-CD1 4.31Å; M1-F225 HydrophobicContact SD-CE1 3.5Å; M1-F225 VanDerWaalsContact SD-CE1 3.5Å; M1-F225 HydrophobicContact SD-CZ 3.94Å
2	L	91.6	Very high	90.3	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	18%	0.182	C	C	.	.			trans	-51.3	141.2	173	-62.6	-177.4	0	0	0	111.8	E6 R7 L10 Y61 A65 S67 L68	L2-E6 HydrophobicContact CB-CB 4.14Å; L2-E6 HydrophobicContact CD2-CB 4.41Å; L2-R7 HydrophobicContact CB-CG 3.73Å; L2-R7 HydrophobicContact CD1-CG 4.2Å; L2-L10 HydrophobicContact CD1-CD2 4.18Å; L2-Y61 HydrophobicContact CD1-CD1 4.16Å; L2-Y61 HydrophobicContact CD1-CE1 4.29Å; L2-Y61 HydrophobicContact CD2-CE1 4.17Å; L2-A65 HydrophobicContact CD2-CB 3.85Å; L2-A65 HydrophobicContact CG-CB 4.17Å; L2-A65 PolarHBondContact N-O 3.08Å; L2-S67 VanDerWaalsContact CD2-CA 3.46Å; L2-S67 WeakPolarHBondContact CD2-O 3.43Å; L2-L68 HydrophobicContact CD1-CD2 4.31Å; L2-L68 HydrophobicContact CD2-CD2 4.44Å; L2-L68 HydrophobicContact CD2-CG 4.46Å
3	S	91.6	Very high	90.4	Very high	54 Å²	54	35 Å²	35	38%	0.378	17%	0.172	S	C	.	.			trans	-62	162.8	169.5	62.8	0	0	0	0	111.6	D5 E6 R7	S3-D5 VanDerWaalsContact C-N 3.32Å; S3-D5 PolarHBondContact O-N 3.36Å; S3-E6 PolarHBondContact N-OE2 3.47Å; S3-E6 PolarHBondContact O-N 3.19Å; S3-E6 VanDerWaalsContact OG-CB 3.29Å; S3-E6 WeakPolarHBondContact OG-CB 3.39Å; S3-E6 WeakPolarHBondContact OG-CG 3.23Å; S3-E6 PolarHBondContact OG-N 3.11Å; S3-E6 PolarHBondContact OG-OE2 3.08Å; S3-R7 WeakPolarHBondContact O-CG 3.45Å; S3-R7 PolarHBondContact O-N 3.41Å; S3-R7 PolarHBondContact O-NE 3.33Å
4	E	89.8	Confident	90.6	Very high	29 Å²	29	36.1 Å²	36.1	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-58.9	-43.1	175.4	-168.4	-179.7	63.9	0	0	112.4	R7 S8 N141 P228 R229 R252	E4-R7 PolarHBondContact O-N 3.48Å; E4-S8 PolarHBondContact O-N 2.96Å; E4-N141 PolarHBondContact OE1-OD1 3.27Å; E4-P228 HydrophobicContact CG-CB 3.85Å; E4-R229 HydrophobicContact CG-CG 3.66Å; E4-R229 VanDerWaalsContact OE1-CG 3.3Å; E4-R229 WeakPolarHBondContact OE1-CG 3.48Å; E4-R229 PolarHBondContact OE2-N 3.32Å; E4-R252 IonicContact OE1-CZ 3.03Å; E4-R252 IonicContact OE1-NH1 3.53Å; E4-R252 IonicContact OE1-NH2 2.7Å; E4-R252 PolarHBondContact OE1-NH2 3.32Å; E4-R252 IonicContact OE2-CZ 2.65Å; E4-R252 IonicContact OE2-NH2 3.27Å; E4-R252 PolarHBondContact OE2-NH2 3.41Å
5	D	89.5	Confident	90.7	Very high	53 Å²	53	39.5 Å²	39.5	28%	0.283	20%	0.203	S	C	.	.	H	α-helix	trans	-63.4	-42.4	177.5	177.4	71.6	0	0	0	112.2	S3 S8 R9 R229	S3-D5 VanDerWaalsContact C-N 3.32Å; S3-D5 PolarHBondContact O-N 3.36Å; D5-S8 PolarHBondContact O-N 3.12Å; D5-R9 WeakPolarHBondContact O-CG 3.43Å; D5-R9 PolarHBondContact O-N 3.02Å; D5-R9 IonicContact OD2-CZ 2.93Å; D5-R9 IonicContact OD2-NE 2.87Å; D5-R9 PolarHBondContact OD2-NE 3.5Å; D5-R9 IonicContact OD2-NH2 3.91Å; D5-R9 PolarHBondContact OD2-NH2 3.08Å; D5-R229 IonicContact OD1-NH1 3.08Å
6	E	92.3	Very high	90.9	Very high	24 Å²	24	38.8 Å²	38.8	11%	0.112	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-43.2	174.7	-79.3	175.1	134	0	0	112.5	L2 S3 S8 R9 L10 S67 L68	L2-E6 HydrophobicContact CB-CB 4.14Å; L2-E6 HydrophobicContact CD2-CB 4.41Å; S3-E6 PolarHBondContact N-OE2 3.47Å; S3-E6 PolarHBondContact O-N 3.19Å; S3-E6 VanDerWaalsContact OG-CB 3.29Å; S3-E6 WeakPolarHBondContact OG-CB 3.39Å; S3-E6 WeakPolarHBondContact OG-CG 3.23Å; S3-E6 PolarHBondContact OG-N 3.11Å; S3-E6 PolarHBondContact OG-OE2 3.08Å; E6-S8 VanDerWaalsContact C-N 3.33Å; E6-S8 PolarHBondContact O-N 2.96Å; E6-R9 PolarHBondContact O-N 3.33Å; E6-L10 WeakPolarHBondContact O-CB 3.38Å; E6-L10 PolarHBondContact O-N 3.37Å; E6-S67 VanDerWaalsContact OE1-CA 3.28Å; E6-S67 WeakPolarHBondContact OE1-CA 3.25Å; E6-S67 PolarHBondContact OE1-OG 3.34Å; E6-L68 HydrophobicContact CB-CD1 3.83Å; E6-L68 HydrophobicContact CB-CG 3.8Å; E6-L68 HydrophobicContact CG-CB 4.39Å; E6-L68 HydrophobicContact CG-CD1 3.87Å; E6-L68 HydrophobicContact CG-CG 3.83Å; E6-L68 PolarHBondContact OE1-N 3.36Å
7	R	91.6	Very high	91.1	Very high	24 Å²	24	36.5 Å²	36.5	9%	0.091	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-43.6	175.7	-72.6	176.7	-75.7	179.8	-1.4	111.4	M1 L2 S3 E4 L10 L11 L224 P228	M1-R7 VanDerWaalsContact CE-NH1 3.32Å; L2-R7 HydrophobicContact CB-CG 3.73Å; L2-R7 HydrophobicContact CD1-CG 4.2Å; S3-R7 WeakPolarHBondContact O-CG 3.45Å; S3-R7 PolarHBondContact O-N 3.41Å; S3-R7 PolarHBondContact O-NE 3.33Å; E4-R7 PolarHBondContact O-N 3.48Å; R7-L10 PolarHBondContact O-N 3.26Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.2Å; R7-L11 VanDerWaalsContact O-N 3.08Å; R7-L224 WeakPolarHBondContact CD-O 3.49Å; R7-L224 VanDerWaalsContact NH1-CG 3.26Å; R7-L224 PolarHBondContact NH1-O 3.48Å; R7-P228 HydrophobicContact CB-CB 4Å; R7-P228 HydrophobicContact CB-CG 3.85Å
8	S	89.3	Confident	91.3	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-43.8	177.3	178.2	0	0	0	0	112.4	E4 D5 E6 L10 L11 R12 D175 R229	E4-S8 PolarHBondContact O-N 2.96Å; D5-S8 PolarHBondContact O-N 3.12Å; E6-S8 VanDerWaalsContact C-N 3.33Å; E6-S8 PolarHBondContact O-N 2.96Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 3.16Å; S8-L11 PolarHBondContact O-N 3.25Å; S8-R12 WeakPolarHBondContact O-CB 3.5Å; S8-R12 PolarHBondContact O-N 3.47Å; S8-D175 WeakPolarHBondContact CB-OD2 3.39Å; S8-D175 PolarHBondContact OG-OD2 2.95Å; S8-R229 PolarHBondContact OG-NE 3.24Å; S8-R229 PolarHBondContact OG-NH2 3.41Å
9	R	89.9	Confident	91.4	Very high	44 Å²	44	38.3 Å²	38.3	17%	0.166	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-43.3	175.4	-78	-173	-78.6	156.9	-15.8	111.8	D5 E6 L11 R12 A13 L68 L87 K89	D5-R9 WeakPolarHBondContact O-CG 3.43Å; D5-R9 PolarHBondContact O-N 3.02Å; D5-R9 IonicContact OD2-CZ 2.93Å; D5-R9 IonicContact OD2-NE 2.87Å; D5-R9 PolarHBondContact OD2-NE 3.5Å; D5-R9 IonicContact OD2-NH2 3.91Å; D5-R9 PolarHBondContact OD2-NH2 3.08Å; E6-R9 PolarHBondContact O-N 3.33Å; R9-L11 PolarHBondContact O-N 3.37Å; R9-R12 PolarHBondContact O-N 2.88Å; R9-A13 WeakPolarHBondContact O-CB 3.45Å; R9-A13 PolarHBondContact O-N 3.24Å; R9-L68 HydrophobicContact CB-CD1 4.15Å; R9-L87 WeakPolarHBondContact CD-O 3.24Å; R9-L87 PolarHBondContact NH1-O 2.85Å; R9-K89 WeakPolarHBondContact CD-O 3.42Å
10	L	93.1	Very high	91.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-43.2	177.6	-170.9	55.8	0	0	0	112.4	L2 E6 R7 S8 A13 Q14 L17 L58 Y61 R62 L68 L71 L87	L2-L10 HydrophobicContact CD1-CD2 4.18Å; E6-L10 WeakPolarHBondContact O-CB 3.38Å; E6-L10 PolarHBondContact O-N 3.37Å; R7-L10 PolarHBondContact O-N 3.26Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 3.16Å; L10-A13 PolarHBondContact O-N 3.19Å; L10-Q14 PolarHBondContact O-N 3.42Å; L10-Q14 VanDerWaalsContact O-N 3.12Å; L10-L17 HydrophobicContact CD1-CD1 3.9Å; L10-L58 HydrophobicContact CD1-CD2 3.82Å; L10-L58 HydrophobicContact CG-CD2 4.42Å; L10-Y61 HydrophobicContact CD2-CD1 3.97Å; L10-R62 HydrophobicContact CD2-CG 3.48Å; L10-R62 VanDerWaalsContact CD2-CG 3.48Å; L10-R62 HydrophobicContact CG-CG 4.43Å; L10-L68 HydrophobicContact CB-CD2 4.14Å; L10-L68 HydrophobicContact CD1-CD2 4.23Å; L10-L68 HydrophobicContact CD2-CD2 4.14Å; L10-L68 HydrophobicContact CG-CD2 4.42Å; L10-L71 HydrophobicContact CD1-CD2 3.78Å; L10-L87 HydrophobicContact CD1-CD2 3.78Å
11	L	90.2	Very high	91.6	Very high	40 Å²	40	38.3 Å²	38.3	21%	0.209	21%	0.206	C	C	.	.	H	α-helix	trans	-66.3	-38.8	176.3	-76.3	168.8	0	0	0	112.6	R7 S8 R9 A13 Q14 D226 P228	R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.2Å; R7-L11 VanDerWaalsContact O-N 3.08Å; S8-L11 PolarHBondContact O-N 3.25Å; R9-L11 PolarHBondContact O-N 3.37Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-Q14 WeakPolarHBondContact O-CB 3.5Å; L11-Q14 PolarHBondContact O-N 2.85Å; L11-D226 WeakPolarHBondContact CD1-O 3.31Å; L11-P228 HydrophobicContact CD1-CG 3.56Å
12	R	87.8	Confident	91.9	Very high	76 Å²	76	35.8 Å²	35.8	29%	0.287	19%	0.193	S	C	.	.	H	α-helix	trans	-66.2	-37.5	176.8	-161	-171.9	-41.3	141.2	16.9	112.2	S8 R9 Q14 P15 A91 D95	S8-R12 WeakPolarHBondContact O-CB 3.5Å; S8-R12 PolarHBondContact O-N 3.47Å; R9-R12 PolarHBondContact O-N 2.88Å; R12-Q14 VanDerWaalsContact C-N 3.27Å; R12-Q14 PolarHBondContact O-N 3.3Å; R12-P15 VanDerWaalsContact O-CD 3.29Å; R12-P15 WeakPolarHBondContact O-CD 3.49Å; R12-A91 VanDerWaalsContact NH2-CA 3.32Å; R12-A91 VanDerWaalsContact NH2-CB 3.25Å; R12-D95 VanDerWaalsContact CD-OD2 3.32Å; R12-D95 WeakPolarHBondContact CD-OD2 3.47Å; R12-D95 IonicContact NH1-OD2 2.69Å
13	A	91.7	Very high	92	Very high	7 Å²	7	35.6 Å²	35.6	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-76	-13.8	176.5	0	0	0	0	0	113.2	R9 L10 L11 P15 A16 L17 L86 L87	R9-A13 WeakPolarHBondContact O-CB 3.45Å; R9-A13 PolarHBondContact O-N 3.24Å; L10-A13 PolarHBondContact O-N 3.19Å; L11-A13 VanDerWaalsContact C-N 3.34Å; A13-P15 VanDerWaalsContact C-CD 3.47Å; A13-A16 PolarHBondContact O-N 3.27Å; A13-L17 HydrophobicContact CB-CD1 3.93Å; A13-L17 HydrophobicContact CB-CG 4.27Å; A13-L17 WeakPolarHBondContact O-CG 3.48Å; A13-L17 PolarHBondContact O-N 3.37Å; A13-L86 HydrophobicContact CB-CB 4.27Å; A13-L87 HydrophobicContact CB-CD2 3.56Å; A13-L87 HydrophobicContact CB-CG 4.23Å
14	Q	92.3	Very high	92	Very high	51 Å²	51	38 Å²	38	24%	0.238	20%	0.196	C	C	.	.	H	α-helix	trans	-51.6	-42.5	-174.8	-174.2	177.3	5.2	0	0	114.5	L10 L11 R12 A16 L17 L18 L58	L10-Q14 PolarHBondContact O-N 3.42Å; L10-Q14 VanDerWaalsContact O-N 3.12Å; L11-Q14 WeakPolarHBondContact O-CB 3.5Å; L11-Q14 PolarHBondContact O-N 2.85Å; R12-Q14 VanDerWaalsContact C-N 3.27Å; R12-Q14 PolarHBondContact O-N 3.3Å; Q14-A16 VanDerWaalsContact C-N 3.34Å; Q14-A16 PolarHBondContact O-N 2.86Å; Q14-L17 PolarHBondContact O-N 3.18Å; Q14-L18 HydrophobicContact CG-CD1 3.89Å; Q14-L18 HydrophobicContact CG-CG 4.18Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 VanDerWaalsContact O-CG 3.24Å; Q14-L18 WeakPolarHBondContact O-CG 3.47Å; Q14-L18 PolarHBondContact O-N 3.47Å; Q14-L58 HydrophobicContact CG-CD1 3.91Å
15	P	92.2	Very high	92.1	Very high	87 Å²	87	41.4 Å²	41.4	57%	0.565	21%	0.211	S	C	*	.	H	α-helix	trans	-61	-39.5	177.4	-24.2	35.9	0	0	0	113.5	R12 A13 T19	R12-P15 VanDerWaalsContact O-CD 3.29Å; R12-P15 WeakPolarHBondContact O-CD 3.49Å; A13-P15 VanDerWaalsContact C-CD 3.47Å; P15-T19 PolarHBondContact O-N 2.66Å; P15-T19 PolarHBondContact O-OG1 3.17Å
16	A	93.7	Very high	92.3	Very high	27 Å²	27	38.9 Å²	38.9	22%	0.223	20%	0.198	C	C	.	.	H	α-helix	trans	-70.9	-44.5	176.6	0	0	0	0	0	110.9	A13 Q14 L18 T19 D20 L83 L86	A13-A16 PolarHBondContact O-N 3.27Å; Q14-A16 VanDerWaalsContact C-N 3.34Å; Q14-A16 PolarHBondContact O-N 2.86Å; A16-L18 VanDerWaalsContact C-N 3.31Å; A16-L18 PolarHBondContact O-N 3.15Å; A16-T19 WeakPolarHBondContact O-CB 3.43Å; A16-T19 PolarHBondContact O-N 3.26Å; A16-D20 PolarHBondContact O-N 3.34Å; A16-L83 HydrophobicContact CB-CD2 3.77Å; A16-L86 HydrophobicContact CB-CD1 3.66Å
17	L	94.3	Very high	92.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-41.9	176	-64.9	167.5	0	0	0	111.5	L10 A13 Q14 T19 L21 L58 L75 L83 L87	L10-L17 HydrophobicContact CD1-CD1 3.9Å; A13-L17 HydrophobicContact CB-CD1 3.93Å; A13-L17 HydrophobicContact CB-CG 4.27Å; A13-L17 WeakPolarHBondContact O-CG 3.48Å; A13-L17 PolarHBondContact O-N 3.37Å; Q14-L17 PolarHBondContact O-N 3.18Å; L17-T19 PolarHBondContact O-N 2.91Å; L17-L21 HydrophobicContact CD2-CD2 4.35Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 PolarHBondContact O-N 2.96Å; L17-L21 VanDerWaalsContact O-N 3.07Å; L17-L58 HydrophobicContact CB-CD1 4.34Å; L17-L58 HydrophobicContact CD1-CD1 4.24Å; L17-L58 HydrophobicContact CD1-CD2 3.91Å; L17-L75 HydrophobicContact CD2-CD1 4.49Å; L17-L83 HydrophobicContact CD2-CB 4.24Å; L17-L83 HydrophobicContact CD2-CD1 4.14Å; L17-L83 HydrophobicContact CD2-CD2 4.37Å; L17-L83 HydrophobicContact CD2-CG 4.47Å; L17-L87 HydrophobicContact CD1-CD2 4.44Å
18	L	94.4	Very high	92.5	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-27.7	176.1	-74.2	168.9	0	0	0	112.9	Q14 A16 R50 R51 V54 V55	Q14-L18 HydrophobicContact CG-CD1 3.89Å; Q14-L18 HydrophobicContact CG-CG 4.18Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 VanDerWaalsContact O-CG 3.24Å; Q14-L18 WeakPolarHBondContact O-CG 3.47Å; Q14-L18 PolarHBondContact O-N 3.47Å; A16-L18 VanDerWaalsContact C-N 3.31Å; A16-L18 PolarHBondContact O-N 3.15Å; L18-R50 PolarHBondContact O-NH1 3.43Å; L18-R50 PolarHBondContact O-NH2 2.9Å; L18-R51 HydrophobicContact CD2-CG 3.86Å; L18-V54 HydrophobicContact CD2-CB 4.06Å; L18-V54 HydrophobicContact CD2-CG1 3.79Å; L18-V54 HydrophobicContact CG-CG1 4.32Å; L18-V55 HydrophobicContact CD2-CG2 3.7Å
19	T	93.3	Very high	92.8	Very high	91 Å²	91	42.6 Å²	42.6	56%	0.558	23%	0.225	S	C	*	.	H	α-helix	trans	-83.1	-48.4	-177.8	-52.7	0	0	0	0	111	P15 A16 L17 R50	P15-T19 PolarHBondContact O-N 2.66Å; P15-T19 PolarHBondContact O-OG1 3.17Å; A16-T19 WeakPolarHBondContact O-CB 3.43Å; A16-T19 PolarHBondContact O-N 3.26Å; L17-T19 PolarHBondContact O-N 2.91Å; T19-R50 PolarHBondContact O-NH2 2.93Å
20	D	93.7	Very high	93	Very high	77 Å²	77	40.5 Å²	40.5	41%	0.412	22%	0.217	S	C	.	.	H	α-helix	trans	-109.2	-17.6	-162.8	-59.8	-17.9	0	0	0	114.4	A16 H82 L83	A16-D20 PolarHBondContact O-N 3.34Å; D20-H82 IonicContact OD2-CD2 3.61Å; D20-H82 IonicContact OD2-CE1 3.87Å; D20-H82 IonicContact OD2-NE2 2.79Å; D20-H82 PolarHBondContact OD2-NE2 3.19Å; D20-L83 HydrophobicContact CB-CD1 4.02Å; D20-L83 HydrophobicContact CB-CD2 4.38Å
21	L	94.5	Very high	93.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.23	C	C	.	.			trans	-80.5	134.8	-174.3	-169.3	65	0	0	0	112.7	L17 L26 R50 V54 L57 L75 L80 L83	L17-L21 HydrophobicContact CD2-CD2 4.35Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 PolarHBondContact O-N 2.96Å; L17-L21 VanDerWaalsContact O-N 3.07Å; L21-L26 HydrophobicContact CD1-CD1 3.47Å; L21-L26 VanDerWaalsContact CD1-CD1 3.47Å; L21-L26 HydrophobicContact CD1-CG 4.24Å; L21-L26 HydrophobicContact CD2-CD1 4.42Å; L21-L26 HydrophobicContact CG-CD1 4.36Å; L21-R50 PolarHBondContact O-NH1 3.39Å; L21-V54 HydrophobicContact CB-CG2 4.11Å; L21-V54 HydrophobicContact CD2-CG1 4.15Å; L21-V54 HydrophobicContact CD2-CG2 4.39Å; L21-V54 HydrophobicContact CG-CG2 4.47Å; L21-V54 WeakPolarHBondContact O-CG2 3.4Å; L21-L57 HydrophobicContact CD2-CD2 3.99Å; L21-L75 HydrophobicContact CD1-CD2 3.52Å; L21-L80 HydrophobicContact CD1-CD1 4.06Å; L21-L83 HydrophobicContact CD1-CD1 4.49Å
22	E	93.8	Very high	93.4	Very high	40 Å²	40	45.2 Å²	45.2	19%	0.187	25%	0.252	C	S	.	.			trans	-107.8	105	159.3	-178.9	54.5	-112.7	0	0	110.2	K24 E25 R50 R53	E22-K24 HydrophobicContact CG-CB 4.23Å; E22-K24 PolarHBondContact O-N 2.94Å; E22-K24 VanDerWaalsContact O-N 3.14Å; E22-K24 WeakPolarHBondContact OE1-CG 3.36Å; E22-K24 PolarHBondContact OE1-N 2.97Å; E22-E25 HydrophobicContact CB-CG 4.45Å; E22-E25 HydrophobicContact CG-CG 4.3Å; E22-E25 PolarHBondContact O-N 3.05Å; E22-R50 WeakPolarHBondContact OE2-CD 3.18Å; E22-R50 VanDerWaalsContact OE2-CG 3.29Å; E22-R50 WeakPolarHBondContact OE2-CG 3.5Å; E22-R53 IonicContact OE1-CZ 2.75Å; E22-R53 IonicContact OE1-NE 3.24Å; E22-R53 PolarHBondContact OE1-NE 2.99Å; E22-R53 IonicContact OE1-NH2 2.84Å; E22-R53 PolarHBondContact OE1-NH2 3.18Å; E22-R53 IonicContact OE2-CZ 2.97Å; E22-R53 IonicContact OE2-NH2 3.59Å; E22-R53 PolarHBondContact OE2-NH2 2.94Å
23	P	92.8	Very high	93.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-30.4	-176.3	-31.7	39.6	0	0	0	114.8	E25 L26 T27 I44 R53 V54 L57	P23-E25 PolarHBondContact O-N 2.92Å; P23-L26 PolarHBondContact O-N 3.03Å; P23-L26 VanDerWaalsContact O-N 3.11Å; P23-T27 VanDerWaalsContact O-CG2 3.32Å; P23-T27 WeakPolarHBondContact O-CG2 3.43Å; P23-T27 PolarHBondContact O-N 3.23Å; P23-T27 VanDerWaalsContact O-N 3.15Å; P23-I44 HydrophobicContact CB-CG2 3.92Å; P23-R53 HydrophobicContact CB-CB 4.1Å; P23-R53 HydrophobicContact CG-CB 3.73Å; P23-V54 HydrophobicContact CG-CB 4.09Å; P23-V54 HydrophobicContact CG-CG2 3.45Å; P23-V54 VanDerWaalsContact CG-CG2 3.45Å; P23-L57 HydrophobicContact CB-CB 4.31Å; P23-L57 HydrophobicContact CB-CD2 3.87Å; P23-L57 HydrophobicContact CG-CD2 4.23Å
24	K	92.4	Very high	93.8	Very high	105 Å²	105	48.8 Å²	48.8	46%	0.457	29%	0.287	S	S	.	.	H	α-helix	trans	-58	-38.1	-177.1	-71.7	177.8	177.2	-178.3	0	112	E22 L26 T27	E22-K24 HydrophobicContact CG-CB 4.23Å; E22-K24 PolarHBondContact O-N 2.94Å; E22-K24 VanDerWaalsContact O-N 3.14Å; E22-K24 WeakPolarHBondContact OE1-CG 3.36Å; E22-K24 PolarHBondContact OE1-N 2.97Å; K24-L26 VanDerWaalsContact C-N 3.3Å; K24-L26 PolarHBondContact O-N 2.96Å; K24-T27 PolarHBondContact O-N 3.17Å; K24-T27 PolarHBondContact O-OG1 2.85Å
25	E	90.8	Very high	93.9	Very high	99 Å²	99	47 Å²	47	46%	0.463	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-34.5	-179.7	-64.7	168.9	177.3	0	0	111.2	E22 P23 E78	E22-E25 HydrophobicContact CB-CG 4.45Å; E22-E25 HydrophobicContact CG-CG 4.3Å; E22-E25 PolarHBondContact O-N 3.05Å; P23-E25 PolarHBondContact O-N 2.92Å; E25-E78 HydrophobicContact CB-CG 4.07Å
26	L	94	Very high	94.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-84.9	-21.8	-178.5	-53.2	-171	0	0	0	114.3	L21 P23 K24 A28 Y29 L30 L71 A74 L75 E78	L21-L26 HydrophobicContact CD1-CD1 3.47Å; L21-L26 VanDerWaalsContact CD1-CD1 3.47Å; L21-L26 HydrophobicContact CD1-CG 4.24Å; L21-L26 HydrophobicContact CD2-CD1 4.42Å; L21-L26 HydrophobicContact CG-CD1 4.36Å; P23-L26 PolarHBondContact O-N 3.03Å; P23-L26 VanDerWaalsContact O-N 3.11Å; K24-L26 VanDerWaalsContact C-N 3.3Å; K24-L26 PolarHBondContact O-N 2.96Å; L26-A28 VanDerWaalsContact C-N 3.33Å; L26-A28 PolarHBondContact O-N 3.47Å; L26-Y29 PolarHBondContact O-N 3.15Å; L26-L30 HydrophobicContact CB-CD1 4.05Å; L26-L30 HydrophobicContact CB-CG 4.38Å; L26-L30 WeakPolarHBondContact O-CG 3.49Å; L26-L30 PolarHBondContact O-N 3.44Å; L26-L71 HydrophobicContact CD1-CD1 3.92Å; L26-A74 HydrophobicContact CB-CB 4.46Å; L26-A74 HydrophobicContact CD1-CB 4.44Å; L26-A74 HydrophobicContact CD2-CB 3.81Å; L26-A74 HydrophobicContact CG-CB 4.47Å; L26-L75 HydrophobicContact CD1-CD2 4.02Å; L26-L75 HydrophobicContact CD1-CG 4.43Å; L26-E78 HydrophobicContact CD2-CB 4.24Å; L26-E78 HydrophobicContact CD2-CG 3.49Å; L26-E78 VanDerWaalsContact CD2-CG 3.49Å
27	T	94.2	Very high	94.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-56	-43.6	-170.5	53	0	0	0	0	113.5	P23 K24 Y29 Q31 L36 V41 I44	P23-T27 VanDerWaalsContact O-CG2 3.32Å; P23-T27 WeakPolarHBondContact O-CG2 3.43Å; P23-T27 PolarHBondContact O-N 3.23Å; P23-T27 VanDerWaalsContact O-N 3.15Å; K24-T27 PolarHBondContact O-N 3.17Å; K24-T27 PolarHBondContact O-OG1 2.85Å; T27-Y29 PolarHBondContact O-N 3.2Å; T27-Q31 WeakPolarHBondContact O-CB 3.32Å; T27-Q31 PolarHBondContact O-N 3.36Å; T27-L36 HydrophobicContact CG2-CD1 4.44Å; T27-V41 HydrophobicContact CG2-CG1 4.31Å; T27-I44 HydrophobicContact CG2-CD1 4.42Å; T27-I44 HydrophobicContact CG2-CG2 4.29Å
28	A	93.7	Very high	94.3	Very high	65 Å²	65	50.3 Å²	50.3	54%	0.537	29%	0.293	S	S	.	.	H	α-helix	trans	-64.8	-41.9	-178.5	0	0	0	0	0	112	L26 A32	L26-A28 VanDerWaalsContact C-N 3.33Å; L26-A28 PolarHBondContact O-N 3.47Å; A28-A32 WeakPolarHBondContact O-CB 3.3Å; A28-A32 PolarHBondContact O-N 3.14Å
29	Y	95.4	Very high	94.4	Very high	64 Å²	64	52.9 Å²	52.9	25%	0.251	32%	0.317	S	S	.	.	H	α-helix	trans	-69.5	-46.4	179	-174	-100.2	0	0	0	111.9	L26 T27 Q31 A32 C33 P70 E73 A74 K77	L26-Y29 PolarHBondContact O-N 3.15Å; T27-Y29 PolarHBondContact O-N 3.2Å; Y29-Q31 VanDerWaalsContact C-N 3.26Å; Y29-Q31 PolarHBondContact O-N 3.21Å; Y29-A32 WeakPolarHBondContact O-CB 3.33Å; Y29-A32 PolarHBondContact O-N 3.39Å; Y29-A32 VanDerWaalsContact O-N 3.12Å; Y29-C33 VanDerWaalsContact CE1-SG 3.58Å; Y29-C33 PolarHBondContact O-N 3.11Å; Y29-C33 PolarHBondContact O-SG 3.14Å; Y29-C33 VanDerWaalsContact O-SG 3.41Å; Y29-P70 WeakPolarHBondContact CE1-O 3.24Å; Y29-E73 HydrophobicContact CE1-CB 4.19Å; Y29-E73 HydrophobicContact CE1-CG 4.29Å; Y29-E73 VanDerWaalsContact OH-CG 3.23Å; Y29-E73 WeakPolarHBondContact OH-CG 3.5Å; Y29-A74 HydrophobicContact CD1-CB 3.49Å; Y29-A74 VanDerWaalsContact CD1-CB 3.49Å; Y29-A74 HydrophobicContact CE1-CB 4.09Å; Y29-A74 HydrophobicContact CG-CB 4.33Å; Y29-K77 HydrophobicContact CD2-CD 4.02Å; Y29-K77 HydrophobicContact CE2-CD 3.82Å; Y29-K77 VanDerWaalsContact CZ-NZ 3.27Å; Y29-K77 PolarHBondContact OH-NZ 3.04Å; Y29-K77 VanDerWaalsContact OH-NZ 3.08Å
30	L	95.9	Very high	94.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.8	-30.4	179	-67.3	179.6	0	0	0	112.6	L26 S34 V35 L36 L57 Y61 P70 L71 A74	L26-L30 HydrophobicContact CB-CD1 4.05Å; L26-L30 HydrophobicContact CB-CG 4.38Å; L26-L30 WeakPolarHBondContact O-CG 3.49Å; L26-L30 PolarHBondContact O-N 3.44Å; L30-S34 PolarHBondContact O-N 3.29Å; L30-V35 WeakPolarHBondContact O-CB 3.38Å; L30-V35 PolarHBondContact O-N 2.79Å; L30-L36 HydrophobicContact CB-CD1 3.69Å; L30-L36 HydrophobicContact CB-CG 3.87Å; L30-L36 HydrophobicContact CD1-CD1 4.14Å; L30-L36 PolarHBondContact O-N 3.24Å; L30-L57 HydrophobicContact CD1-CD1 3.84Å; L30-Y61 HydrophobicContact CD1-CD2 4.39Å; L30-Y61 HydrophobicContact CD1-CE2 4.46Å; L30-Y61 HydrophobicContact CD2-CE2 3.96Å; L30-P70 HydrophobicContact CD2-CB 4.12Å; L30-L71 HydrophobicContact CD1-CD1 4.3Å; L30-A74 HydrophobicContact CD2-CB 4.21Å; L30-A74 HydrophobicContact CG-CB 4.46Å
31	Q	95.4	Very high	94.7	Very high	62 Å²	62	45.8 Å²	45.8	29%	0.29	28%	0.276	S	S	.	.	H	α-helix	trans	-68.1	-44.2	170.2	-176.3	174.1	19.7	0	0	111.7	T27 Y29 C33 S34 D38 V41	T27-Q31 WeakPolarHBondContact O-CB 3.32Å; T27-Q31 PolarHBondContact O-N 3.36Å; Y29-Q31 VanDerWaalsContact C-N 3.26Å; Y29-Q31 PolarHBondContact O-N 3.21Å; Q31-C33 PolarHBondContact O-N 3.29Å; Q31-S34 WeakPolarHBondContact O-CA 3.4Å; Q31-S34 PolarHBondContact O-N 3.45Å; Q31-D38 PolarHBondContact NE2-OD1 2.9Å; Q31-V41 HydrophobicContact CB-CG2 4.32Å
32	A	95.1	Very high	94.8	Very high	80 Å²	80	51.5 Å²	51.5	66%	0.661	30%	0.302	S	S	*	.	H	α-helix	trans	-61.2	-33	175.1	0	0	0	0	0	112.5	A28 Y29 S34	A28-A32 WeakPolarHBondContact O-CB 3.3Å; A28-A32 PolarHBondContact O-N 3.14Å; Y29-A32 WeakPolarHBondContact O-CB 3.33Å; Y29-A32 PolarHBondContact O-N 3.39Å; Y29-A32 VanDerWaalsContact O-N 3.12Å; A32-S34 PolarHBondContact O-N 3.47Å
33	C	94.4	Very high	94.9	Very high	47 Å²	47	53.3 Å²	53.3	32%	0.318	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	7.4	172	-61.9	0	0	0	0	114.2	Y29 Q31 V35 P70	Y29-C33 VanDerWaalsContact CE1-SG 3.58Å; Y29-C33 PolarHBondContact O-N 3.11Å; Y29-C33 PolarHBondContact O-SG 3.14Å; Y29-C33 VanDerWaalsContact O-SG 3.41Å; Q31-C33 PolarHBondContact O-N 3.29Å; C33-V35 HydrophobicContact CB-CG2 4.18Å; C33-V35 PolarHBondContact O-N 2.93Å; C33-P70 HydrophobicContact CB-CB 4.06Å; C33-P70 HydrophobicContact CB-CG 4.5Å
34	S	93.6	Very high	95.1	Very high	111 Å²	111	53.3 Å²	53.3	78%	0.776	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	23.3	-178.1	-54.5	0	0	0	0	114.9	L30 Q31 A32	L30-S34 PolarHBondContact O-N 3.29Å; Q31-S34 WeakPolarHBondContact O-CA 3.4Å; Q31-S34 PolarHBondContact O-N 3.45Å; A32-S34 PolarHBondContact O-N 3.47Å
35	V	94.6	Very high	95.2	Very high	14 Å²	14	54.5 Å²	54.5	9%	0.085	32%	0.315	C	S	.	.	S	Bend	trans	-84.1	-37.2	175.3	-178.2	0	0	0	0	111	L30 C33 Y61 A65 P70	L30-V35 WeakPolarHBondContact O-CB 3.38Å; L30-V35 PolarHBondContact O-N 2.79Å; C33-V35 HydrophobicContact CB-CG2 4.18Å; C33-V35 PolarHBondContact O-N 2.93Å; V35-Y61 HydrophobicContact CG1-CD2 3.73Å; V35-Y61 HydrophobicContact CG1-CE2 3.68Å; V35-A65 HydrophobicContact CG1-CB 3.91Å; V35-P70 HydrophobicContact CG2-CB 3.98Å; V35-P70 HydrophobicContact CG2-CG 4.07Å
36	L	96.5	Very high	95.5	Very high	7 Å²	7	53 Å²	53	4%	0.037	32%	0.315	C	S	.	.	S	Bend	trans	-111.2	136.6	178.1	-57.7	179.8	0	0	0	110.5	T27 L30 D40 V41 I44 L57 I60	T27-L36 HydrophobicContact CG2-CD1 4.44Å; L30-L36 HydrophobicContact CB-CD1 3.69Å; L30-L36 HydrophobicContact CB-CG 3.87Å; L30-L36 HydrophobicContact CD1-CD1 4.14Å; L30-L36 PolarHBondContact O-N 3.24Å; L36-D40 HydrophobicContact CB-CB 4.17Å; L36-D40 HydrophobicContact CD2-CB 4.19Å; L36-V41 HydrophobicContact CB-CG2 4.08Å; L36-V41 HydrophobicContact CD1-CG2 4.34Å; L36-I44 HydrophobicContact CD1-CD1 4Å; L36-I44 HydrophobicContact CD2-CD1 4.35Å; L36-L57 HydrophobicContact CD1-CD1 3.95Å; L36-L57 HydrophobicContact CD2-CD1 4.22Å; L36-I60 HydrophobicContact CD2-CB 4.45Å; L36-I60 HydrophobicContact CD2-CG2 3.63Å
37	S	96.2	Very high	95.6	Very high	52 Å²	52	56.3 Å²	56.3	36%	0.364	33%	0.329	S	S	.	.			trans	-86.7	167.8	167.9	71.5	0	0	0	0	111.6	A39 D40 V41	S37-A39 PolarHBondContact O-N 2.93Å; S37-D40 VanDerWaalsContact CB-OD2 3.3Å; S37-D40 WeakPolarHBondContact CB-OD2 3.45Å; S37-D40 PolarHBondContact N-OD2 3.3Å; S37-D40 WeakPolarHBondContact O-CB 3.29Å; S37-D40 PolarHBondContact O-N 2.82Å; S37-D40 PolarHBondContact OG-N 2.89Å; S37-D40 PolarHBondContact OG-OD2 2.79Å; S37-V41 WeakPolarHBondContact O-CG2 3.12Å; S37-V41 PolarHBondContact O-N 2.67Å
38	D	96	Very high	95.6	Very high	123 Å²	123	61.7 Å²	61.7	66%	0.658	36%	0.364	S	S	*	.	H	α-helix	trans	-54.6	-40.3	174	-71.8	-52	0	0	0	112.2	Q31 D40 V41 E42	Q31-D38 PolarHBondContact NE2-OD1 2.9Å; D38-D40 VanDerWaalsContact C-N 3.32Å; D38-D40 PolarHBondContact O-N 2.69Å; D38-V41 PolarHBondContact O-N 2.96Å; D38-E42 PolarHBondContact O-N 3.35Å
39	A	96.8	Very high	95.7	Very high	71 Å²	71	63.3 Å²	63.3	59%	0.587	36%	0.363	S	S	*	.	H	α-helix	trans	-66.1	-35.2	177.6	0	0	0	0	0	112.2	S37 L43	S37-A39 PolarHBondContact O-N 2.93Å; A39-L43 VanDerWaalsContact O-CB 3.28Å; A39-L43 WeakPolarHBondContact O-CB 3.41Å; A39-L43 PolarHBondContact O-N 3.35Å
40	D	96.7	Very high	95.7	Very high	13 Å²	13	64.1 Å²	64.1	7%	0.07	37%	0.365	C	S	.	.	H	α-helix	trans	-67.8	-43.5	175.9	-62	-49.3	0	0	0	111.1	L36 S37 D38 E42 L43 I44 I60 K64	L36-D40 HydrophobicContact CB-CB 4.17Å; L36-D40 HydrophobicContact CD2-CB 4.19Å; S37-D40 VanDerWaalsContact CB-OD2 3.3Å; S37-D40 WeakPolarHBondContact CB-OD2 3.45Å; S37-D40 PolarHBondContact N-OD2 3.3Å; S37-D40 WeakPolarHBondContact O-CB 3.29Å; S37-D40 PolarHBondContact O-N 2.82Å; S37-D40 PolarHBondContact OG-N 2.89Å; S37-D40 PolarHBondContact OG-OD2 2.79Å; D38-D40 VanDerWaalsContact C-N 3.32Å; D38-D40 PolarHBondContact O-N 2.69Å; D40-E42 VanDerWaalsContact C-N 3.35Å; D40-L43 PolarHBondContact O-N 2.63Å; D40-I44 WeakPolarHBondContact O-CD1 3.3Å; D40-I44 VanDerWaalsContact O-CG1 3.25Å; D40-I44 WeakPolarHBondContact O-CG1 3.28Å; D40-I44 PolarHBondContact O-N 3.26Å; D40-I60 HydrophobicContact CB-CD1 4.02Å; D40-I60 HydrophobicContact CB-CG2 4.19Å; D40-K64 IonicContact OD1-NZ 3.54Å; D40-K64 PolarHBondContact OD1-NZ 2.85Å; D40-K64 IonicContact OD2-NZ 3.62Å; D40-K64 PolarHBondContact OD2-NZ 2.91Å
41	V	96.3	Very high	95.6	Very high	6 Å²	6	70.9 Å²	70.9	4%	0.036	39%	0.391	C	S	.	.	H	α-helix	trans	-62.6	-44.1	177.5	174.5	0	0	0	0	110.5	T27 Q31 L36 S37 D38 I44 R45	T27-V41 HydrophobicContact CG2-CG1 4.31Å; Q31-V41 HydrophobicContact CB-CG2 4.32Å; L36-V41 HydrophobicContact CB-CG2 4.08Å; L36-V41 HydrophobicContact CD1-CG2 4.34Å; S37-V41 WeakPolarHBondContact O-CG2 3.12Å; S37-V41 PolarHBondContact O-N 2.67Å; D38-V41 PolarHBondContact O-N 2.96Å; V41-I44 PolarHBondContact O-N 3.01Å; V41-R45 WeakPolarHBondContact O-CB 3.25Å; V41-R45 VanDerWaalsContact O-CG 3.3Å; V41-R45 WeakPolarHBondContact O-CG 3.38Å; V41-R45 PolarHBondContact O-N 3.46Å
42	E	96	Very high	95.6	Very high	120 Å²	120	71 Å²	71	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-65	-42.4	176.9	-170	55.9	-149	0	0	111.7	D38 D40 I44 R45 S46	D38-E42 PolarHBondContact O-N 3.35Å; D40-E42 VanDerWaalsContact C-N 3.35Å; E42-I44 PolarHBondContact O-N 2.92Å; E42-R45 PolarHBondContact O-N 3.02Å; E42-S46 WeakPolarHBondContact O-CB 3.41Å; E42-S46 PolarHBondContact O-N 3.08Å
43	L	96.7	Very high	95.7	Very high	78 Å²	78	68.3 Å²	68.3	41%	0.408	37%	0.366	S	S	.	.	H	α-helix	trans	-60.1	-44.4	175.6	179.7	60.3	0	0	0	111.7	A39 D40 S46 T56 I60	A39-L43 VanDerWaalsContact O-CB 3.28Å; A39-L43 WeakPolarHBondContact O-CB 3.41Å; A39-L43 PolarHBondContact O-N 3.35Å; D40-L43 PolarHBondContact O-N 2.63Å; L43-S46 PolarHBondContact O-N 2.86Å; L43-S46 PolarHBondContact O-OG 3.43Å; L43-T56 HydrophobicContact CD2-CG2 4.21Å; L43-T56 HydrophobicContact CG-CG2 3.98Å; L43-I60 HydrophobicContact CD2-CD1 4.26Å
44	I	96.4	Very high	95.8	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-46.2	175.4	-67.2	162	0	0	0	110	P23 T27 L36 D40 V41 E42 S46 K47 R53 T56 L57 I60	P23-I44 HydrophobicContact CB-CG2 3.92Å; T27-I44 HydrophobicContact CG2-CD1 4.42Å; T27-I44 HydrophobicContact CG2-CG2 4.29Å; L36-I44 HydrophobicContact CD1-CD1 4Å; L36-I44 HydrophobicContact CD2-CD1 4.35Å; D40-I44 WeakPolarHBondContact O-CD1 3.3Å; D40-I44 VanDerWaalsContact O-CG1 3.25Å; D40-I44 WeakPolarHBondContact O-CG1 3.28Å; D40-I44 PolarHBondContact O-N 3.26Å; V41-I44 PolarHBondContact O-N 3.01Å; E42-I44 PolarHBondContact O-N 2.92Å; I44-S46 VanDerWaalsContact C-N 3.3Å; I44-S46 PolarHBondContact O-N 2.83Å; I44-K47 PolarHBondContact O-N 3.34Å; I44-R53 HydrophobicContact CG2-CB 4.14Å; I44-R53 VanDerWaalsContact O-CG 3.3Å; I44-R53 WeakPolarHBondContact O-CG 3.28Å; I44-T56 HydrophobicContact CG1-CG2 3.94Å; I44-L57 HydrophobicContact CD1-CB 4.09Å; I44-L57 HydrophobicContact CD1-CD1 3.78Å; I44-L57 HydrophobicContact CG1-CB 4.46Å; I44-I60 HydrophobicContact CD1-CD1 4.15Å; I44-I60 HydrophobicContact CG1-CD1 4.02Å
45	R	95.3	Very high	95.9	Very high	131 Å²	131	62.3 Å²	62.3	49%	0.494	32%	0.323	S	S	.	.	H	α-helix	trans	-65.5	-32.1	-179.4	-74.7	176.5	178.7	175	2.3	113.3	V41 E42 K47	V41-R45 WeakPolarHBondContact O-CB 3.25Å; V41-R45 VanDerWaalsContact O-CG 3.3Å; V41-R45 WeakPolarHBondContact O-CG 3.38Å; V41-R45 PolarHBondContact O-N 3.46Å; E42-R45 PolarHBondContact O-N 3.02Å; R45-K47 PolarHBondContact O-N 2.92Å
46	S	96.1	Very high	96	Very high	67 Å²	67	62.2 Å²	62.2	47%	0.469	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-22.3	178.9	78.3	0	0	0	0	113.5	E42 L43 I44 P48	E42-S46 WeakPolarHBondContact O-CB 3.41Å; E42-S46 PolarHBondContact O-N 3.08Å; L43-S46 PolarHBondContact O-N 2.86Å; L43-S46 PolarHBondContact O-OG 3.43Å; I44-S46 VanDerWaalsContact C-N 3.3Å; I44-S46 PolarHBondContact O-N 2.83Å; S46-P48 WeakPolarHBondContact O-CD 3.48Å
47	K	96.4	Very high	96	Very high	71 Å²	71	61.9 Å²	61.9	31%	0.309	32%	0.321	S	S	.	.			trans	-75.3	120.8	179.7	-51.6	-62.5	-177	178	0	110.6	I44 R45 I49 D52 R53 T56	I44-K47 PolarHBondContact O-N 3.34Å; R45-K47 PolarHBondContact O-N 2.92Å; K47-I49 PolarHBondContact O-N 3.39Å; K47-D52 HydrophobicContact CB-CB 3.96Å; K47-D52 HydrophobicContact CG-CB 4.32Å; K47-R53 HydrophobicContact CB-CG 3.84Å; K47-R53 WeakPolarHBondContact O-CG 3.22Å; K47-R53 PolarHBondContact O-NH1 3.2Å; K47-R53 VanDerWaalsContact O-NH1 3.15Å; K47-T56 WeakPolarHBondContact CE-OG1 3.46Å
48	P	94.2	Very high	95.9	Very high	113 Å²	113	59.6 Å²	59.6	73%	0.734	31%	0.305	S	S	*	.	S	Bend	trans	-68.8	-37.3	-175.3	25.1	-32	0	0	0	112.1	S46 R53	S46-P48 WeakPolarHBondContact O-CD 3.48Å; P48-R53 PolarHBondContact O-NH1 3.27Å
49	I	95.4	Very high	95.8	Very high	99 Å²	99	57.6 Å²	57.6	51%	0.508	29%	0.291	S	S	.	.	S	Bend	trans	-89	132.1	-174.9	-58.4	172.2	0	0	0	109.7	K47 R51 D52 R53	K47-I49 PolarHBondContact O-N 3.39Å; I49-R51 VanDerWaalsContact C-N 3.27Å; I49-R51 HydrophobicContact CG2-CB 3.99Å; I49-R51 PolarHBondContact O-N 3.46Å; I49-D52 HydrophobicContact CB-CB 4.3Å; I49-D52 PolarHBondContact O-N 3.15Å; I49-D52 VanDerWaalsContact O-N 3.09Å; I49-R53 PolarHBondContact O-N 3.25Å
50	R	95.6	Very high	95.7	Very high	81 Å²	81	55 Å²	55	31%	0.306	27%	0.267	S	S	.	.	H	α-helix	trans	-53.1	-45.4	177.4	-175.8	-173.6	67.3	68.7	3.3	112	L18 T19 L21 E22 D52 R53 V54	L18-R50 PolarHBondContact O-NH1 3.43Å; L18-R50 PolarHBondContact O-NH2 2.9Å; T19-R50 PolarHBondContact O-NH2 2.93Å; L21-R50 PolarHBondContact O-NH1 3.39Å; E22-R50 WeakPolarHBondContact OE2-CD 3.18Å; E22-R50 VanDerWaalsContact OE2-CG 3.29Å; E22-R50 WeakPolarHBondContact OE2-CG 3.5Å; R50-D52 VanDerWaalsContact C-N 3.29Å; R50-D52 PolarHBondContact O-N 2.92Å; R50-R53 VanDerWaalsContact CA-CZ 3.46Å; R50-R53 WeakPolarHBondContact O-CB 3.25Å; R50-R53 PolarHBondContact O-N 3.32Å; R50-R53 VanDerWaalsContact O-N 3.13Å; R50-V54 WeakPolarHBondContact O-CG2 3.44Å; R50-V54 PolarHBondContact O-N 2.99Å
51	R	94.9	Very high	95.7	Very high	143 Å²	143	54.3 Å²	54.3	54%	0.54	26%	0.264	S	S	.	.	H	α-helix	trans	-56.9	-43	178.9	-165	-179.3	179.1	106.9	-1.5	111.9	L18 I49 V54 V55	L18-R51 HydrophobicContact CD2-CG 3.86Å; I49-R51 VanDerWaalsContact C-N 3.27Å; I49-R51 HydrophobicContact CG2-CB 3.99Å; I49-R51 PolarHBondContact O-N 3.46Å; R51-V54 WeakPolarHBondContact O-CB 3.42Å; R51-V54 PolarHBondContact O-N 3.36Å; R51-V55 WeakPolarHBondContact O-CG2 3.37Å; R51-V55 PolarHBondContact O-N 3.36Å
52	D	95.2	Very high	95.5	Very high	65 Å²	65	54.6 Å²	54.6	35%	0.348	26%	0.264	S	S	.	.	H	α-helix	trans	-70.3	-34.2	178.8	-62.5	-13.9	0	0	0	111.8	K47 I49 R50 V54 V55 T56	K47-D52 HydrophobicContact CB-CB 3.96Å; K47-D52 HydrophobicContact CG-CB 4.32Å; I49-D52 HydrophobicContact CB-CB 4.3Å; I49-D52 PolarHBondContact O-N 3.15Å; I49-D52 VanDerWaalsContact O-N 3.09Å; R50-D52 VanDerWaalsContact C-N 3.29Å; R50-D52 PolarHBondContact O-N 2.92Å; D52-V54 VanDerWaalsContact C-N 3.3Å; D52-V54 PolarHBondContact O-N 3.07Å; D52-V55 PolarHBondContact O-N 2.8Å; D52-T56 VanDerWaalsContact O-CB 3.32Å; D52-T56 WeakPolarHBondContact O-CB 3.45Å; D52-T56 PolarHBondContact O-N 2.82Å; D52-T56 PolarHBondContact O-OG1 2.97Å
53	R	97.1	Very high	95.4	Very high	22 Å²	22	53 Å²	53	8%	0.083	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-44.9	169.3	-63.5	-163.9	-75.4	-78.6	2	111	E22 P23 I44 K47 P48 I49 R50 T56 L57	E22-R53 IonicContact OE1-CZ 2.75Å; E22-R53 IonicContact OE1-NE 3.24Å; E22-R53 PolarHBondContact OE1-NE 2.99Å; E22-R53 IonicContact OE1-NH2 2.84Å; E22-R53 PolarHBondContact OE1-NH2 3.18Å; E22-R53 IonicContact OE2-CZ 2.97Å; E22-R53 IonicContact OE2-NH2 3.59Å; E22-R53 PolarHBondContact OE2-NH2 2.94Å; P23-R53 HydrophobicContact CB-CB 4.1Å; P23-R53 HydrophobicContact CG-CB 3.73Å; I44-R53 HydrophobicContact CG2-CB 4.14Å; I44-R53 VanDerWaalsContact O-CG 3.3Å; I44-R53 WeakPolarHBondContact O-CG 3.28Å; K47-R53 HydrophobicContact CB-CG 3.84Å; K47-R53 WeakPolarHBondContact O-CG 3.22Å; K47-R53 PolarHBondContact O-NH1 3.2Å; K47-R53 VanDerWaalsContact O-NH1 3.15Å; P48-R53 PolarHBondContact O-NH1 3.27Å; I49-R53 PolarHBondContact O-N 3.25Å; R50-R53 VanDerWaalsContact CA-CZ 3.46Å; R50-R53 WeakPolarHBondContact O-CB 3.25Å; R50-R53 PolarHBondContact O-N 3.32Å; R50-R53 VanDerWaalsContact O-N 3.13Å; R53-T56 PolarHBondContact O-N 3.35Å; R53-L57 WeakPolarHBondContact O-CB 2.98Å; R53-L57 PolarHBondContact O-N 2.98Å
54	V	96.7	Very high	95.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-48.6	-179.3	175.3	0	0	0	0	110	L18 L21 P23 R50 R51 D52 T56 L57 L58	L18-V54 HydrophobicContact CD2-CB 4.06Å; L18-V54 HydrophobicContact CD2-CG1 3.79Å; L18-V54 HydrophobicContact CG-CG1 4.32Å; L21-V54 HydrophobicContact CB-CG2 4.11Å; L21-V54 HydrophobicContact CD2-CG1 4.15Å; L21-V54 HydrophobicContact CD2-CG2 4.39Å; L21-V54 HydrophobicContact CG-CG2 4.47Å; L21-V54 WeakPolarHBondContact O-CG2 3.4Å; P23-V54 HydrophobicContact CG-CB 4.09Å; P23-V54 HydrophobicContact CG-CG2 3.45Å; P23-V54 VanDerWaalsContact CG-CG2 3.45Å; R50-V54 WeakPolarHBondContact O-CG2 3.44Å; R50-V54 PolarHBondContact O-N 2.99Å; R51-V54 WeakPolarHBondContact O-CB 3.42Å; R51-V54 PolarHBondContact O-N 3.36Å; D52-V54 VanDerWaalsContact C-N 3.3Å; D52-V54 PolarHBondContact O-N 3.07Å; V54-T56 VanDerWaalsContact C-N 3.31Å; V54-T56 PolarHBondContact O-N 3.34Å; V54-L57 PolarHBondContact O-N 3.24Å; V54-L58 HydrophobicContact CG1-CD1 3.88Å; V54-L58 HydrophobicContact CG1-CG 4.24Å; V54-L58 VanDerWaalsContact O-CG 3.28Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.96Å
55	V	94.7	Very high	95.1	Very high	32 Å²	32	54.4 Å²	54.4	19%	0.194	26%	0.256	C	S	.	.	H	α-helix	trans	-55.4	-48.7	176.9	172.6	0	0	0	0	110.8	L18 R51 D52 L57 L58 E59	L18-V55 HydrophobicContact CD2-CG2 3.7Å; R51-V55 WeakPolarHBondContact O-CG2 3.37Å; R51-V55 PolarHBondContact O-N 3.36Å; D52-V55 PolarHBondContact O-N 2.8Å; V55-L57 PolarHBondContact O-N 2.94Å; V55-L58 PolarHBondContact O-N 2.93Å; V55-E59 HydrophobicContact CG1-CG 4.43Å; V55-E59 VanDerWaalsContact CG1-OE1 3.24Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.3Å; V55-E59 WeakPolarHBondContact O-CB 3.38Å; V55-E59 WeakPolarHBondContact O-CG 3.45Å; V55-E59 PolarHBondContact O-N 3.37Å
56	T	96	Very high	95.1	Very high	12 Å²	12	52.9 Å²	52.9	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-45.6	179.5	-54.6	0	0	0	0	111.5	L43 I44 K47 D52 R53 V54 L58 E59 I60	L43-T56 HydrophobicContact CD2-CG2 4.21Å; L43-T56 HydrophobicContact CG-CG2 3.98Å; I44-T56 HydrophobicContact CG1-CG2 3.94Å; K47-T56 WeakPolarHBondContact CE-OG1 3.46Å; D52-T56 VanDerWaalsContact O-CB 3.32Å; D52-T56 WeakPolarHBondContact O-CB 3.45Å; D52-T56 PolarHBondContact O-N 2.82Å; D52-T56 PolarHBondContact O-OG1 2.97Å; R53-T56 PolarHBondContact O-N 3.35Å; V54-T56 VanDerWaalsContact C-N 3.31Å; V54-T56 PolarHBondContact O-N 3.34Å; T56-L58 PolarHBondContact O-N 3.43Å; T56-E59 PolarHBondContact O-N 2.75Å; T56-I60 HydrophobicContact CG2-CD1 3.88Å; T56-I60 VanDerWaalsContact O-CG1 3.27Å; T56-I60 WeakPolarHBondContact O-CG1 3.32Å; T56-I60 PolarHBondContact O-N 3.32Å
57	L	96.9	Very high	95	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-47.8	176	172.9	65	0	0	0	111.1	L21 P23 L30 L36 I44 R53 V54 V55 I60 Y61	L21-L57 HydrophobicContact CD2-CD2 3.99Å; P23-L57 HydrophobicContact CB-CB 4.31Å; P23-L57 HydrophobicContact CB-CD2 3.87Å; P23-L57 HydrophobicContact CG-CD2 4.23Å; L30-L57 HydrophobicContact CD1-CD1 3.84Å; L36-L57 HydrophobicContact CD1-CD1 3.95Å; L36-L57 HydrophobicContact CD2-CD1 4.22Å; I44-L57 HydrophobicContact CD1-CB 4.09Å; I44-L57 HydrophobicContact CD1-CD1 3.78Å; I44-L57 HydrophobicContact CG1-CB 4.46Å; R53-L57 WeakPolarHBondContact O-CB 2.98Å; R53-L57 PolarHBondContact O-N 2.98Å; V54-L57 PolarHBondContact O-N 3.24Å; V55-L57 PolarHBondContact O-N 2.94Å; L57-I60 PolarHBondContact O-N 3.45Å; L57-Y61 VanDerWaalsContact O-CB 3.25Å; L57-Y61 WeakPolarHBondContact O-CB 3.5Å; L57-Y61 PolarHBondContact O-N 2.99Å
58	L	95.1	Very high	95	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-68.7	-34.6	-177.8	-63.3	178.3	0	0	0	112.7	L10 Q14 L17 V54 V55 T56 R62	L10-L58 HydrophobicContact CD1-CD2 3.82Å; L10-L58 HydrophobicContact CG-CD2 4.42Å; Q14-L58 HydrophobicContact CG-CD1 3.91Å; L17-L58 HydrophobicContact CB-CD1 4.34Å; L17-L58 HydrophobicContact CD1-CD1 4.24Å; L17-L58 HydrophobicContact CD1-CD2 3.91Å; V54-L58 HydrophobicContact CG1-CD1 3.88Å; V54-L58 HydrophobicContact CG1-CG 4.24Å; V54-L58 VanDerWaalsContact O-CG 3.28Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.96Å; V55-L58 PolarHBondContact O-N 2.93Å; T56-L58 PolarHBondContact O-N 3.43Å; L58-R62 WeakPolarHBondContact O-CB 3.29Å; L58-R62 VanDerWaalsContact O-CG 3.25Å; L58-R62 WeakPolarHBondContact O-CG 3.24Å; L58-R62 PolarHBondContact O-N 3.32Å; L58-R62 PolarHBondContact O-NE 2.69Å; L58-R62 VanDerWaalsContact O-NE 3.1Å
59	E	93.2	Very high	95	Very high	81 Å²	81	49.7 Å²	49.7	38%	0.379	24%	0.238	S	C	.	.	H	α-helix	trans	-64.2	-45	173.3	-78.1	169.6	-176.9	0	0	112.2	V55 T56 R63	V55-E59 HydrophobicContact CG1-CG 4.43Å; V55-E59 VanDerWaalsContact CG1-OE1 3.24Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.3Å; V55-E59 WeakPolarHBondContact O-CB 3.38Å; V55-E59 WeakPolarHBondContact O-CG 3.45Å; V55-E59 PolarHBondContact O-N 3.37Å; T56-E59 PolarHBondContact O-N 2.75Å; E59-R63 PolarHBondContact O-N 3.28Å; E59-R63 PolarHBondContact O-NH1 2.89Å
60	I	95.1	Very high	95	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.082	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-46.7	176.6	-64.9	168.1	0	0	0	110	L36 D40 L43 I44 T56 L57 R62 R63 K64	L36-I60 HydrophobicContact CD2-CB 4.45Å; L36-I60 HydrophobicContact CD2-CG2 3.63Å; D40-I60 HydrophobicContact CB-CD1 4.02Å; D40-I60 HydrophobicContact CB-CG2 4.19Å; L43-I60 HydrophobicContact CD2-CD1 4.26Å; I44-I60 HydrophobicContact CD1-CD1 4.15Å; I44-I60 HydrophobicContact CG1-CD1 4.02Å; T56-I60 HydrophobicContact CG2-CD1 3.88Å; T56-I60 VanDerWaalsContact O-CG1 3.27Å; T56-I60 WeakPolarHBondContact O-CG1 3.32Å; T56-I60 PolarHBondContact O-N 3.32Å; L57-I60 PolarHBondContact O-N 3.45Å; I60-R62 VanDerWaalsContact C-N 3.35Å; I60-R62 PolarHBondContact O-N 3Å; I60-R63 PolarHBondContact O-N 3.27Å; I60-R63 VanDerWaalsContact O-N 3.13Å; I60-K64 HydrophobicContact CG2-CD 3.86Å; I60-K64 HydrophobicContact CG2-CG 4.36Å; I60-K64 PolarHBondContact O-N 3.06Å
61	Y	95.8	Very high	95	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-45	-177.6	-161.9	-80.1	0	0	0	111.5	L2 L10 L30 V35 L57 R63 K64 A65 S67 L68 L71	L2-Y61 HydrophobicContact CD1-CD1 4.16Å; L2-Y61 HydrophobicContact CD1-CE1 4.29Å; L2-Y61 HydrophobicContact CD2-CE1 4.17Å; L10-Y61 HydrophobicContact CD2-CD1 3.97Å; L30-Y61 HydrophobicContact CD1-CD2 4.39Å; L30-Y61 HydrophobicContact CD1-CE2 4.46Å; L30-Y61 HydrophobicContact CD2-CE2 3.96Å; V35-Y61 HydrophobicContact CG1-CD2 3.73Å; V35-Y61 HydrophobicContact CG1-CE2 3.68Å; L57-Y61 VanDerWaalsContact O-CB 3.25Å; L57-Y61 WeakPolarHBondContact O-CB 3.5Å; L57-Y61 PolarHBondContact O-N 2.99Å; Y61-R63 PolarHBondContact O-N 3.13Å; Y61-K64 PolarHBondContact O-N 3.39Å; Y61-A65 HydrophobicContact CD1-CB 3.54Å; Y61-A65 HydrophobicContact CD2-CB 4.31Å; Y61-A65 HydrophobicContact CE1-CB 3.25Å; Y61-A65 HydrophobicContact CE2-CB 4.11Å; Y61-A65 HydrophobicContact CG-CB 4.05Å; Y61-A65 WeakPolarHBondContact O-CB 3.42Å; Y61-A65 PolarHBondContact O-N 3.4Å; Y61-S67 PolarHBondContact OH-O 3.04Å; Y61-L68 HydrophobicContact CE1-CD2 3.95Å; Y61-L71 HydrophobicContact CD1-CD2 4.42Å; Y61-L71 HydrophobicContact CD2-CB 4.45Å; Y61-L71 HydrophobicContact CE1-CB 4.19Å; Y61-L71 HydrophobicContact CE1-CD2 4.33Å; Y61-L71 HydrophobicContact CE2-CB 3.62Å; Y61-L71 HydrophobicContact CE2-CD2 4.42Å; Y61-L71 HydrophobicContact CE2-CG 4.42Å; Y61-L71 VanDerWaalsContact CZ-CB 3.48Å; Y61-L71 WeakPolarHBondContact OH-CB 3.16Å; Y61-L71 PolarHBondContact OH-N 2.98Å
62	R	93.5	Very high	95.1	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.045	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-34.2	178	-77.4	179.7	-66.1	151.2	8.8	113.4	L10 L58 I60 F225 D226	L10-R62 HydrophobicContact CD2-CG 3.48Å; L10-R62 VanDerWaalsContact CD2-CG 3.48Å; L10-R62 HydrophobicContact CG-CG 4.43Å; L58-R62 WeakPolarHBondContact O-CB 3.29Å; L58-R62 VanDerWaalsContact O-CG 3.25Å; L58-R62 WeakPolarHBondContact O-CG 3.24Å; L58-R62 PolarHBondContact O-N 3.32Å; L58-R62 PolarHBondContact O-NE 2.69Å; L58-R62 VanDerWaalsContact O-NE 3.1Å; I60-R62 VanDerWaalsContact C-N 3.35Å; I60-R62 PolarHBondContact O-N 3Å; R62-F225 PolarHBondContact NH1-O 2.84Å; R62-F225 WeakPolarHBondContact O-CD1 3.48Å; R62-D226 IonicContact CZ-OD1 3.82Å; R62-D226 IonicContact NH1-OD1 2.65Å; R62-D226 PolarHBondContact NH1-OD1 2.8Å; R62-D226 IonicContact NH2-OD1 3.61Å; R62-D226 PolarHBondContact NH2-OD1 3.41Å
63	R	92.2	Very high	95.1	Very high	86 Å²	86	36.4 Å²	36.4	33%	0.325	18%	0.184	S	C	.	.	H	α-helix	trans	-85.2	-35	-177.6	-71.2	176.7	173.3	72	5.4	113.3	E59 I60 Y61 E221 F225 D226	E59-R63 PolarHBondContact O-N 3.28Å; E59-R63 PolarHBondContact O-NH1 2.89Å; I60-R63 PolarHBondContact O-N 3.27Å; I60-R63 VanDerWaalsContact O-N 3.13Å; Y61-R63 PolarHBondContact O-N 3.13Å; R63-E221 IonicContact CZ-OE1 3.15Å; R63-E221 IonicContact NE-OE1 2.79Å; R63-E221 PolarHBondContact NE-OE1 3.48Å; R63-E221 IonicContact NH2-OE1 3.18Å; R63-E221 PolarHBondContact NH2-OE1 2.97Å; R63-F225 HydrophobicContact CB-CD1 4.33Å; R63-F225 HydrophobicContact CB-CE1 4.22Å; R63-F225 HydrophobicContact CG-CB 4.45Å; R63-F225 HydrophobicContact CG-CD1 3.75Å; R63-F225 HydrophobicContact CG-CD2 4.33Å; R63-F225 HydrophobicContact CG-CE1 4Å; R63-F225 HydrophobicContact CG-CG 3.93Å; R63-F225 HydrophobicContact CG-CZ 4.44Å; R63-D226 IonicContact NH2-OD2 3.75Å; R63-D226 PolarHBondContact NH2-OD2 2.69Å
64	K	94	Very high	95	Very high	107 Å²	107	35.4 Å²	35.4	47%	0.465	18%	0.181	S	C	.	.	H	α-helix	trans	-105.2	-28.1	-170.6	-65.5	-170.8	174.9	175.2	0	115	D40 I60 Y61	D40-K64 IonicContact OD1-NZ 3.54Å; D40-K64 PolarHBondContact OD1-NZ 2.85Å; D40-K64 IonicContact OD2-NZ 3.62Å; D40-K64 PolarHBondContact OD2-NZ 2.91Å; I60-K64 HydrophobicContact CG2-CD 3.86Å; I60-K64 HydrophobicContact CG2-CG 4.36Å; I60-K64 PolarHBondContact O-N 3.06Å; Y61-K64 PolarHBondContact O-N 3.39Å
65	A	94.6	Very high	95	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	18%	0.181	C	C	.	.			trans	-73.2	148	-174.5	0	0	0	0	0	112.5	M1 L2 V35 Y61	M1-A65 CarbonylContact C-O 3.55Å; M1-A65 VanDerWaalsContact CA-O 3.24Å; M1-A65 WeakPolarHBondContact CA-O 3.42Å; L2-A65 HydrophobicContact CD2-CB 3.85Å; L2-A65 HydrophobicContact CG-CB 4.17Å; L2-A65 PolarHBondContact N-O 3.08Å; V35-A65 HydrophobicContact CG1-CB 3.91Å; Y61-A65 HydrophobicContact CD1-CB 3.54Å; Y61-A65 HydrophobicContact CD2-CB 4.31Å; Y61-A65 HydrophobicContact CE1-CB 3.25Å; Y61-A65 HydrophobicContact CE2-CB 4.11Å; Y61-A65 HydrophobicContact CG-CB 4.05Å; Y61-A65 WeakPolarHBondContact O-CB 3.42Å; Y61-A65 PolarHBondContact O-N 3.4Å
66	C	93.9	Very high	95	Very high	98 Å²	98	38.8 Å²	38.8	66%	0.662	19%	0.193	S	C	*	.	S	Bend	trans	-99.3	-16.1	173	-69.5	0	0	0	0	113.6
67	S	95.2	Very high	94.9	Very high	38 Å²	38	43.3 Å²	43.3	27%	0.266	21%	0.211	S	C	.	.			trans	-153.8	161.3	172.4	178.9	0	0	0	0	110.8	L2 E6 Y61 E69 P70	L2-S67 VanDerWaalsContact CD2-CA 3.46Å; L2-S67 WeakPolarHBondContact CD2-O 3.43Å; E6-S67 VanDerWaalsContact OE1-CA 3.28Å; E6-S67 WeakPolarHBondContact OE1-CA 3.25Å; E6-S67 PolarHBondContact OE1-OG 3.34Å; Y61-S67 PolarHBondContact OH-O 3.04Å; S67-E69 VanDerWaalsContact C-N 3.27Å; S67-E69 PolarHBondContact OG-N 3.11Å; S67-E69 VanDerWaalsContact OG-N 3.15Å; S67-P70 WeakPolarHBondContact O-CD 3.5Å
68	L	95	Very high	94.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	23%	0.229	C	C	.	.	S	Bend	trans	-73.5	-15.5	167.1	-70.9	179.7	0	0	0	113.6	L2 E6 R9 L10 Y61 L71 V72	L2-L68 HydrophobicContact CD1-CD2 4.31Å; L2-L68 HydrophobicContact CD2-CD2 4.44Å; L2-L68 HydrophobicContact CD2-CG 4.46Å; E6-L68 HydrophobicContact CB-CD1 3.83Å; E6-L68 HydrophobicContact CB-CG 3.8Å; E6-L68 HydrophobicContact CG-CB 4.39Å; E6-L68 HydrophobicContact CG-CD1 3.87Å; E6-L68 HydrophobicContact CG-CG 3.83Å; E6-L68 PolarHBondContact OE1-N 3.36Å; R9-L68 HydrophobicContact CB-CD1 4.15Å; L10-L68 HydrophobicContact CB-CD2 4.14Å; L10-L68 HydrophobicContact CD1-CD2 4.23Å; L10-L68 HydrophobicContact CD2-CD2 4.14Å; L10-L68 HydrophobicContact CG-CD2 4.42Å; Y61-L68 HydrophobicContact CE1-CD2 3.95Å; L68-L71 PolarHBondContact O-N 2.9Å; L68-V72 HydrophobicContact CB-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.43Å; L68-V72 PolarHBondContact O-N 3.24Å
69	E	94.9	Very high	94.5	Very high	144 Å²	144	55.2 Å²	55.2	67%	0.673	27%	0.269	S	S	*	.	H	α-helix	trans	-52.6	-46.6	-175.2	179.7	179.6	-164.9	0	0	113.7	S67 L71 V72 E73	S67-E69 VanDerWaalsContact C-N 3.27Å; S67-E69 PolarHBondContact OG-N 3.11Å; S67-E69 VanDerWaalsContact OG-N 3.15Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.39Å; E69-V72 PolarHBondContact O-N 3.08Å; E69-E73 WeakPolarHBondContact O-CB 3.39Å; E69-E73 PolarHBondContact O-N 3.49Å
70	P	95.8	Very high	94.5	Very high	28 Å²	28	52.7 Å²	52.7	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-40.7	176	-26	35.6	0	0	0	113.7	Y29 L30 C33 V35 S67 A74	Y29-P70 WeakPolarHBondContact CE1-O 3.24Å; L30-P70 HydrophobicContact CD2-CB 4.12Å; C33-P70 HydrophobicContact CB-CB 4.06Å; C33-P70 HydrophobicContact CB-CG 4.5Å; V35-P70 HydrophobicContact CG2-CB 3.98Å; V35-P70 HydrophobicContact CG2-CG 4.07Å; S67-P70 WeakPolarHBondContact O-CD 3.5Å; P70-A74 VanDerWaalsContact O-CB 3.31Å; P70-A74 WeakPolarHBondContact O-CB 3.27Å; P70-A74 PolarHBondContact O-N 3.4Å
71	L	96.3	Very high	94.3	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-69.5	-42.4	177.7	-177.9	61.1	0	0	0	112	L10 L26 L30 Y61 L68 E69 E73 A74 L75 L87	L10-L71 HydrophobicContact CD1-CD2 3.78Å; L26-L71 HydrophobicContact CD1-CD1 3.92Å; L30-L71 HydrophobicContact CD1-CD1 4.3Å; Y61-L71 HydrophobicContact CD1-CD2 4.42Å; Y61-L71 HydrophobicContact CD2-CB 4.45Å; Y61-L71 HydrophobicContact CE1-CB 4.19Å; Y61-L71 HydrophobicContact CE1-CD2 4.33Å; Y61-L71 HydrophobicContact CE2-CB 3.62Å; Y61-L71 HydrophobicContact CE2-CD2 4.42Å; Y61-L71 HydrophobicContact CE2-CG 4.42Å; Y61-L71 VanDerWaalsContact CZ-CB 3.48Å; Y61-L71 WeakPolarHBondContact OH-CB 3.16Å; Y61-L71 PolarHBondContact OH-N 2.98Å; L68-L71 PolarHBondContact O-N 2.9Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.39Å; L71-E73 VanDerWaalsContact C-N 3.31Å; L71-E73 PolarHBondContact O-N 3.38Å; L71-A74 WeakPolarHBondContact O-CB 3.32Å; L71-A74 PolarHBondContact O-N 2.96Å; L71-L75 HydrophobicContact CD1-CG 4.49Å; L71-L75 HydrophobicContact CG-CD1 4.21Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 VanDerWaalsContact O-CG 3.24Å; L71-L75 WeakPolarHBondContact O-CG 3.47Å; L71-L75 PolarHBondContact O-N 3.25Å; L71-L87 HydrophobicContact CD2-CD1 3.8Å; L71-L87 HydrophobicContact CG-CD1 3.98Å
72	V	95.8	Very high	94.2	Very high	12 Å²	12	62.8 Å²	62.8	7%	0.073	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-43.8	176.8	171.1	0	0	0	0	110.5	L68 E69 L75 K76 A84 L87 T88	L68-V72 HydrophobicContact CB-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.43Å; L68-V72 PolarHBondContact O-N 3.24Å; E69-V72 PolarHBondContact O-N 3.08Å; V72-L75 PolarHBondContact O-N 3.46Å; V72-K76 HydrophobicContact CG1-CD 4.49Å; V72-K76 WeakPolarHBondContact O-CG 3.29Å; V72-K76 PolarHBondContact O-N 2.91Å; V72-K76 VanDerWaalsContact O-N 3.08Å; V72-A84 HydrophobicContact CG1-CB 4.17Å; V72-L87 HydrophobicContact CG2-CB 3.86Å; V72-L87 HydrophobicContact CG2-CD1 4.31Å; V72-T88 HydrophobicContact CG1-CG2 3.86Å; V72-T88 HydrophobicContact CG2-CG2 4.09Å
73	E	95.4	Very high	94.2	Very high	68 Å²	68	62.2 Å²	62.2	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-70.4	-36.5	178.7	-169.9	56.5	-153.4	0	0	112.3	Y29 E69 L71 L75 K76 K77	Y29-E73 HydrophobicContact CE1-CB 4.19Å; Y29-E73 HydrophobicContact CE1-CG 4.29Å; Y29-E73 VanDerWaalsContact OH-CG 3.23Å; Y29-E73 WeakPolarHBondContact OH-CG 3.5Å; E69-E73 WeakPolarHBondContact O-CB 3.39Å; E69-E73 PolarHBondContact O-N 3.49Å; L71-E73 VanDerWaalsContact C-N 3.31Å; L71-E73 PolarHBondContact O-N 3.38Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 2.7Å; E73-K76 PolarHBondContact O-N 3.1Å; E73-K77 WeakPolarHBondContact O-CG 3.17Å; E73-K77 PolarHBondContact O-N 3.24Å; E73-K77 VanDerWaalsContact O-N 3.08Å; E73-K77 WeakPolarHBondContact OE1-CE 3.37Å
74	A	95.5	Very high	94.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-46.2	172.4	0	0	0	0	0	111.2	L26 Y29 L30 P70 L71 K76 K77 E78	L26-A74 HydrophobicContact CB-CB 4.46Å; L26-A74 HydrophobicContact CD1-CB 4.44Å; L26-A74 HydrophobicContact CD2-CB 3.81Å; L26-A74 HydrophobicContact CG-CB 4.47Å; Y29-A74 HydrophobicContact CD1-CB 3.49Å; Y29-A74 VanDerWaalsContact CD1-CB 3.49Å; Y29-A74 HydrophobicContact CE1-CB 4.09Å; Y29-A74 HydrophobicContact CG-CB 4.33Å; L30-A74 HydrophobicContact CD2-CB 4.21Å; L30-A74 HydrophobicContact CG-CB 4.46Å; P70-A74 VanDerWaalsContact O-CB 3.31Å; P70-A74 WeakPolarHBondContact O-CB 3.27Å; P70-A74 PolarHBondContact O-N 3.4Å; L71-A74 WeakPolarHBondContact O-CB 3.32Å; L71-A74 PolarHBondContact O-N 2.96Å; A74-K76 PolarHBondContact O-N 3.45Å; A74-K77 PolarHBondContact O-N 3.47Å; A74-E78 PolarHBondContact O-N 2.9Å; A74-E78 VanDerWaalsContact O-N 3.16Å
75	L	95.9	Very high	94.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-39.8	179.3	-72.3	168	0	0	0	112.3	L17 L21 L26 L71 V72 E73 K77 E78 M79 L80 L83 A84 L87	L17-L75 HydrophobicContact CD2-CD1 4.49Å; L21-L75 HydrophobicContact CD1-CD2 3.52Å; L26-L75 HydrophobicContact CD1-CD2 4.02Å; L26-L75 HydrophobicContact CD1-CG 4.43Å; L71-L75 HydrophobicContact CD1-CG 4.49Å; L71-L75 HydrophobicContact CG-CD1 4.21Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 VanDerWaalsContact O-CG 3.24Å; L71-L75 WeakPolarHBondContact O-CG 3.47Å; L71-L75 PolarHBondContact O-N 3.25Å; V72-L75 PolarHBondContact O-N 3.46Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 2.7Å; L75-K77 VanDerWaalsContact C-N 3.34Å; L75-E78 PolarHBondContact O-N 2.96Å; L75-M79 PolarHBondContact O-N 3.43Å; L75-L80 HydrophobicContact CB-CB 4.38Å; L75-L80 HydrophobicContact CD2-CB 4.02Å; L75-L80 HydrophobicContact CD2-CD1 3.91Å; L75-L80 WeakPolarHBondContact O-CA 3.32Å; L75-L80 PolarHBondContact O-N 2.68Å; L75-L83 HydrophobicContact CD1-CB 3.99Å; L75-L83 HydrophobicContact CD2-CB 4.15Å; L75-L83 HydrophobicContact CD2-CD1 4.05Å; L75-A84 HydrophobicContact CB-CB 4.11Å; L75-L87 HydrophobicContact CD1-CD1 3.52Å
76	K	94.5	Very high	94	Very high	103 Å²	103	59.1 Å²	59.1	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-40.4	175.1	-72.4	172.4	-178.2	174.9	0	112	V72 E73 A74 E78 M79 A84	V72-K76 HydrophobicContact CG1-CD 4.49Å; V72-K76 WeakPolarHBondContact O-CG 3.29Å; V72-K76 PolarHBondContact O-N 2.91Å; V72-K76 VanDerWaalsContact O-N 3.08Å; E73-K76 PolarHBondContact O-N 3.1Å; A74-K76 PolarHBondContact O-N 3.45Å; K76-E78 VanDerWaalsContact C-N 3.33Å; K76-E78 PolarHBondContact O-N 3.48Å; K76-M79 PolarHBondContact O-N 3.23Å; K76-M79 VanDerWaalsContact O-N 3.11Å; K76-A84 HydrophobicContact CG-CB 3.97Å
77	K	93.4	Very high	93.9	Very high	107 Å²	107	54.5 Å²	54.5	47%	0.465	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-37.7	178.7	-75.4	174.7	177.6	177.8	0	112.8	Y29 E73 A74 L75 M79	Y29-K77 HydrophobicContact CD2-CD 4.02Å; Y29-K77 HydrophobicContact CE2-CD 3.82Å; Y29-K77 VanDerWaalsContact CZ-NZ 3.27Å; Y29-K77 PolarHBondContact OH-NZ 3.04Å; Y29-K77 VanDerWaalsContact OH-NZ 3.08Å; E73-K77 WeakPolarHBondContact O-CG 3.17Å; E73-K77 PolarHBondContact O-N 3.24Å; E73-K77 VanDerWaalsContact O-N 3.08Å; E73-K77 WeakPolarHBondContact OE1-CE 3.37Å; A74-K77 PolarHBondContact O-N 3.47Å; L75-K77 VanDerWaalsContact C-N 3.34Å; K77-M79 PolarHBondContact O-N 3.12Å
78	E	93.3	Very high	93.7	Very high	82 Å²	82	56.1 Å²	56.1	38%	0.383	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	16	174.6	-59.3	-52.4	137.3	0	0	113.4	E25 L26 A74 L75 K76 L80	E25-E78 HydrophobicContact CB-CG 4.07Å; L26-E78 HydrophobicContact CD2-CB 4.24Å; L26-E78 HydrophobicContact CD2-CG 3.49Å; L26-E78 VanDerWaalsContact CD2-CG 3.49Å; A74-E78 PolarHBondContact O-N 2.9Å; A74-E78 VanDerWaalsContact O-N 3.16Å; L75-E78 PolarHBondContact O-N 2.96Å; K76-E78 VanDerWaalsContact C-N 3.33Å; K76-E78 PolarHBondContact O-N 3.48Å; E78-L80 HydrophobicContact CB-CD1 4.43Å; E78-L80 PolarHBondContact O-N 2.99Å
79	M	91.7	Very high	93.2	Very high	171 Å²	171	60.1 Å²	60.1	84%	0.842	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	22.5	179.1	-56.9	-176.7	147.8	0	0	115.1	L75 K76 K77 E81	L75-M79 PolarHBondContact O-N 3.43Å; K76-M79 PolarHBondContact O-N 3.23Å; K76-M79 VanDerWaalsContact O-N 3.11Å; K77-M79 PolarHBondContact O-N 3.12Å; M79-E81 VanDerWaalsContact C-N 3.33Å; M79-E81 PolarHBondContact O-N 3.38Å
80	L	92.2	Very high	92.2	Very high	29 Å²	29	56.1 Å²	56.1	15%	0.152	28%	0.28	C	S	.	.			trans	-94.2	53.5	176.5	-64.2	170.9	0	0	0	111.4	L21 L75 E78 H82 L83 A84	L21-L80 HydrophobicContact CD1-CD1 4.06Å; L75-L80 HydrophobicContact CB-CB 4.38Å; L75-L80 HydrophobicContact CD2-CB 4.02Å; L75-L80 HydrophobicContact CD2-CD1 3.91Å; L75-L80 WeakPolarHBondContact O-CA 3.32Å; L75-L80 PolarHBondContact O-N 2.68Å; E78-L80 HydrophobicContact CB-CD1 4.43Å; E78-L80 PolarHBondContact O-N 2.99Å; L80-H82 VanDerWaalsContact C-N 3.28Å; L80-H82 PolarHBondContact O-N 3.31Å; L80-L83 HydrophobicContact CB-CD1 4.11Å; L80-L83 HydrophobicContact CB-CG 4.48Å; L80-L83 HydrophobicContact CD1-CD1 4.12Å; L80-L83 HydrophobicContact CD2-CD1 4.41Å; L80-L83 HydrophobicContact CG-CD1 4.46Å; L80-L83 PolarHBondContact O-N 2.97Å; L80-A84 PolarHBondContact O-N 3.46Å
81	E	92.3	Very high	90.7	Very high	136 Å²	136	56.1 Å²	56.1	64%	0.636	28%	0.283	S	S	*	.	H	α-helix	trans	-60.3	-34.6	-174.5	-68.6	-171.3	177.3	0	0	113.2	M79 L83 A84 V85	M79-E81 VanDerWaalsContact C-N 3.33Å; M79-E81 PolarHBondContact O-N 3.38Å; E81-L83 VanDerWaalsContact C-N 3.3Å; E81-L83 PolarHBondContact O-N 3.44Å; E81-A84 WeakPolarHBondContact O-CB 3.28Å; E81-A84 PolarHBondContact O-N 2.92Å; E81-V85 VanDerWaalsContact O-CG2 3.31Å; E81-V85 WeakPolarHBondContact O-CG2 3.43Å; E81-V85 PolarHBondContact O-N 3.48Å
82	H	92.2	Very high	88.7	Confident	91 Å²	91	60 Å²	60	42%	0.421	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-37	179.6	67.1	-68.3	0	0	0	112.1	D20 L80 L86	D20-H82 IonicContact OD2-CD2 3.61Å; D20-H82 IonicContact OD2-CE1 3.87Å; D20-H82 IonicContact OD2-NE2 2.79Å; D20-H82 PolarHBondContact OD2-NE2 3.19Å; L80-H82 VanDerWaalsContact C-N 3.28Å; L80-H82 PolarHBondContact O-N 3.31Å; H82-L86 WeakPolarHBondContact O-CG 3.5Å; H82-L86 PolarHBondContact O-N 3.02Å
83	L	93.6	Very high	86.4	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-71.7	-39.9	175.1	-59.1	177.5	0	0	0	111.2	A16 L17 D20 L21 L75 L80 E81 V85 L86 L87	A16-L83 HydrophobicContact CB-CD2 3.77Å; L17-L83 HydrophobicContact CD2-CB 4.24Å; L17-L83 HydrophobicContact CD2-CD1 4.14Å; L17-L83 HydrophobicContact CD2-CD2 4.37Å; L17-L83 HydrophobicContact CD2-CG 4.47Å; D20-L83 HydrophobicContact CB-CD1 4.02Å; D20-L83 HydrophobicContact CB-CD2 4.38Å; L21-L83 HydrophobicContact CD1-CD1 4.49Å; L75-L83 HydrophobicContact CD1-CB 3.99Å; L75-L83 HydrophobicContact CD2-CB 4.15Å; L75-L83 HydrophobicContact CD2-CD1 4.05Å; L80-L83 HydrophobicContact CB-CD1 4.11Å; L80-L83 HydrophobicContact CB-CG 4.48Å; L80-L83 HydrophobicContact CD1-CD1 4.12Å; L80-L83 HydrophobicContact CD2-CD1 4.41Å; L80-L83 HydrophobicContact CG-CD1 4.46Å; L80-L83 PolarHBondContact O-N 2.97Å; E81-L83 VanDerWaalsContact C-N 3.3Å; E81-L83 PolarHBondContact O-N 3.44Å; L83-V85 VanDerWaalsContact C-N 3.31Å; L83-V85 PolarHBondContact O-N 3.13Å; L83-L86 HydrophobicContact CD2-CD1 4.43Å; L83-L86 PolarHBondContact O-N 3.41Å; L83-L87 PolarHBondContact O-N 2.99Å; L83-L87 VanDerWaalsContact O-N 3.14Å
84	A	94	Very high	83.9	Confident	3 Å²	3	68.1 Å²	68.1	3%	0.025	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-39.7	175.7	0	0	0	0	0	111.9	V72 L75 K76 L80 E81 L87 T88	V72-A84 HydrophobicContact CG1-CB 4.17Å; L75-A84 HydrophobicContact CB-CB 4.11Å; K76-A84 HydrophobicContact CG-CB 3.97Å; L80-A84 PolarHBondContact O-N 3.46Å; E81-A84 WeakPolarHBondContact O-CB 3.28Å; E81-A84 PolarHBondContact O-N 2.92Å; A84-L87 PolarHBondContact O-N 3.07Å; A84-T88 WeakPolarHBondContact O-CG2 3.39Å; A84-T88 PolarHBondContact O-N 2.86Å; A84-T88 PolarHBondContact O-OG1 3.29Å
85	V	92.5	Very high	81.6	Confident	65 Å²	65	72.3 Å²	72.3	39%	0.394	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-41.5	174.8	170.4	0	0	0	0	111.3	E81 L83 L87 T88 K89	E81-V85 VanDerWaalsContact O-CG2 3.31Å; E81-V85 WeakPolarHBondContact O-CG2 3.43Å; E81-V85 PolarHBondContact O-N 3.48Å; L83-V85 VanDerWaalsContact C-N 3.31Å; L83-V85 PolarHBondContact O-N 3.13Å; V85-L87 VanDerWaalsContact C-N 3.3Å; V85-L87 PolarHBondContact O-N 2.77Å; V85-T88 WeakPolarHBondContact CA-OG1 3.21Å; V85-T88 PolarHBondContact O-N 3.09Å; V85-T88 PolarHBondContact O-OG1 3.19Å; V85-K89 HydrophobicContact CG1-CD 3.97Å; V85-K89 VanDerWaalsContact CG1-CE 3.4Å; V85-K89 HydrophobicContact CG1-CG 4.29Å; V85-K89 WeakPolarHBondContact O-CG 3.3Å; V85-K89 PolarHBondContact O-N 3.26Å; V85-K89 VanDerWaalsContact O-N 3.08Å
86	L	91.1	Very high	79.1	Confident	61 Å²	61	77 Å²	77	32%	0.319	40%	0.4	S	S	.	.	H	α-helix	trans	-62.2	-37.1	177.1	-72	172.2	0	0	0	112.6	A13 A16 H82 L83 T88	A13-L86 HydrophobicContact CB-CB 4.27Å; A16-L86 HydrophobicContact CB-CD1 3.66Å; H82-L86 WeakPolarHBondContact O-CG 3.5Å; H82-L86 PolarHBondContact O-N 3.02Å; L83-L86 HydrophobicContact CD2-CD1 4.43Å; L83-L86 PolarHBondContact O-N 3.41Å; L86-T88 VanDerWaalsContact C-N 3.34Å
87	L	92.2	Very high	76.3	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-76.4	-19.3	178.4	-69.2	176.9	0	0	0	113.9	R9 L10 A13 L17 L71 V72 L75 L83 A84 V85	R9-L87 WeakPolarHBondContact CD-O 3.24Å; R9-L87 PolarHBondContact NH1-O 2.85Å; L10-L87 HydrophobicContact CD1-CD2 3.78Å; A13-L87 HydrophobicContact CB-CD2 3.56Å; A13-L87 HydrophobicContact CB-CG 4.23Å; L17-L87 HydrophobicContact CD1-CD2 4.44Å; L71-L87 HydrophobicContact CD2-CD1 3.8Å; L71-L87 HydrophobicContact CG-CD1 3.98Å; V72-L87 HydrophobicContact CG2-CB 3.86Å; V72-L87 HydrophobicContact CG2-CD1 4.31Å; L75-L87 HydrophobicContact CD1-CD1 3.52Å; L83-L87 PolarHBondContact O-N 2.99Å; L83-L87 VanDerWaalsContact O-N 3.14Å; A84-L87 PolarHBondContact O-N 3.07Å; V85-L87 VanDerWaalsContact C-N 3.3Å; V85-L87 PolarHBondContact O-N 2.77Å
88	T	90.7	Very high	73.5	Confident	72 Å²	72	75 Å²	75	44%	0.442	42%	0.415	S	S	.	.	H	α-helix	trans	-94.9	-22.8	179.6	47.5	0	0	0	0	113.1	V72 A84 V85 L86	V72-T88 HydrophobicContact CG1-CG2 3.86Å; V72-T88 HydrophobicContact CG2-CG2 4.09Å; A84-T88 WeakPolarHBondContact O-CG2 3.39Å; A84-T88 PolarHBondContact O-N 2.86Å; A84-T88 PolarHBondContact O-OG1 3.29Å; V85-T88 WeakPolarHBondContact CA-OG1 3.21Å; V85-T88 PolarHBondContact O-N 3.09Å; V85-T88 PolarHBondContact O-OG1 3.19Å; L86-T88 VanDerWaalsContact C-N 3.34Å
89	K	84.9	Confident	71.3	Confident	87 Å²	87	75.1 Å²	75.1	38%	0.378	43%	0.431	S	S	.	.	S	Bend	trans	-67.3	123	178.3	-80.3	173.8	173.6	178.9	0	112.2	R9 V85	R9-K89 WeakPolarHBondContact CD-O 3.42Å; V85-K89 HydrophobicContact CG1-CD 3.97Å; V85-K89 VanDerWaalsContact CG1-CE 3.4Å; V85-K89 HydrophobicContact CG1-CG 4.29Å; V85-K89 WeakPolarHBondContact O-CG 3.3Å; V85-K89 PolarHBondContact O-N 3.26Å; V85-K89 VanDerWaalsContact O-N 3.08Å
90	P	73.3	Confident	69.1	Low	60 Å²	60	71.8 Å²	71.8	39%	0.39	42%	0.424	S	S	.	.			trans	-64.6	158.5	175.9	27.5	-33.5	0	0	0	111.2	C92 E93	P90-C92 PolarHBondContact O-N 2.63Å; P90-C92 VanDerWaalsContact O-N 3.11Å; P90-E93 HydrophobicContact CG-CG 4.49Å
91	A	63.2	Low	67.2	Low	29 Å²	29	71.6 Å²	71.6	24%	0.24	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.9	177.6	0	0	0	0	0	114.5	R12	R12-A91 VanDerWaalsContact NH2-CA 3.32Å; R12-A91 VanDerWaalsContact NH2-CB 3.25Å
92	C	54.7	Low	65.8	Low	82 Å²	82	65.7 Å²	65.7	55%	0.554	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.4	-160.2	-153.3	0	0	0	0	115.3	P90	P90-C92 PolarHBondContact O-N 2.63Å; P90-C92 VanDerWaalsContact O-N 3.11Å
93	E	47.4	Very low	64.5	Low	149 Å²	149	70 Å²	70	70%	0.696	42%	0.415	S	S	*	.	S	Bend	trans	-101.9	-37.6	-162.7	-77.3	-175	158.3	0	0	117.7	P90	P90-E93 HydrophobicContact CG-CG 4.49Å
94	T	43.4	Very low	63.4	Low	102 Å²	102	77 Å²	77	63%	0.626	45%	0.45	S	S	*	.	S	Bend	trans	-157.8	6.1	-166.6	38.2	0	0	0	0	119.2
95	D	46.2	Very low	62.6	Low	88 Å²	88	80.5 Å²	80.5	47%	0.471	47%	0.471	S	S	.	.			trans	-90.7	0.6	-179	-64.5	-24	0	0	0	114	R12 V97	R12-D95 VanDerWaalsContact CD-OD2 3.32Å; R12-D95 WeakPolarHBondContact CD-OD2 3.47Å; R12-D95 IonicContact NH1-OD2 2.69Å; D95-V97 PolarHBondContact O-N 3.05Å
96	L	43.7	Very low	62.1	Low	100 Å²	100	78.1 Å²	78.1	52%	0.524	46%	0.456	S	S	.	.	S	Bend	trans	-79.8	76.9	164.7	-64.9	-179.1	0	0	0	108.9	G98 S102	L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 2.67Å; L96-S102 WeakPolarHBondContact CD2-OG 3.39Å
97	V	35.6	Very low	61.8	Low	117 Å²	117	80.1 Å²	80.1	71%	0.709	47%	0.467	S	S	*	.			trans	-53.3	91.3	173.7	179.5	0	0	0	0	109.9	D95 G101	D95-V97 PolarHBondContact O-N 3.05Å; V97-G101 WeakPolarHBondContact O-CA 3.26Å; V97-G101 PolarHBondContact O-N 3Å
98	G	35.9	Very low	61.6	Low	50 Å²	50	85.9 Å²	85.9	52%	0.515	50%	0.495	S	S	.	.	H	α-helix	trans	61.2	160	-177.4	0	0	0	0	0	114.9	L96 S100 G101 S102	L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 2.67Å; G98-S100 PolarHBondContact O-N 3.39Å; G98-G101 PolarHBondContact O-N 3.25Å; G98-G101 VanDerWaalsContact O-N 3.14Å; G98-S102 PolarHBondContact O-N 3.39Å; G98-S102 VanDerWaalsContact O-N 3.12Å
99	A	47.3	Very low	61.5	Low	85 Å²	85	83.2 Å²	83.2	70%	0.702	48%	0.478	S	S	*	.	H	α-helix	trans	-54.6	-25.1	173.9	0	0	0	0	0	113	R103	A99-R103 WeakPolarHBondContact O-CG 3.35Å; A99-R103 PolarHBondContact O-N 2.72Å
100	S	45.9	Very low	61.8	Low	101 Å²	101	80.1 Å²	80.1	71%	0.706	47%	0.467	S	S	*	.	H	α-helix	trans	-76.3	-46.1	176.9	-172.9	0	0	0	0	113.2	G98 R103 M104	G98-S100 PolarHBondContact O-N 3.39Å; S100-R103 PolarHBondContact O-N 2.75Å; S100-M104 PolarHBondContact O-N 2.59Å; S100-M104 VanDerWaalsContact O-N 3.12Å
101	G	51.1	Low	62.6	Low	25 Å²	25	82.9 Å²	82.9	26%	0.258	48%	0.477	S	S	.	.	H	α-helix	trans	-68.7	-37.3	179.4	0	0	0	0	0	112.1	V97 G98 R103 M104 T105	V97-G101 WeakPolarHBondContact O-CA 3.26Å; V97-G101 PolarHBondContact O-N 3Å; G98-G101 PolarHBondContact O-N 3.25Å; G98-G101 VanDerWaalsContact O-N 3.14Å; G101-R103 PolarHBondContact O-N 2.69Å; G101-M104 PolarHBondContact O-N 3.41Å; G101-T105 PolarHBondContact O-N 3.15Å; G101-T105 PolarHBondContact O-OG1 3.12Å
102	S	62.4	Low	63.9	Low	11 Å²	11	86.6 Å²	86.6	8%	0.077	49%	0.493	C	S	.	.	H	α-helix	trans	-54.7	-52.4	171.3	177.5	0	0	0	0	112	L96 G98 M104 T105 L106	L96-S102 WeakPolarHBondContact CD2-OG 3.39Å; G98-S102 PolarHBondContact O-N 3.39Å; G98-S102 VanDerWaalsContact O-N 3.12Å; S102-M104 VanDerWaalsContact C-N 3.34Å; S102-M104 PolarHBondContact O-N 2.97Å; S102-T105 PolarHBondContact O-N 2.84Å; S102-L106 VanDerWaalsContact O-CG 3.24Å; S102-L106 WeakPolarHBondContact O-CG 3.39Å; S102-L106 PolarHBondContact O-N 2.78Å
103	R	66.7	Low	65.7	Low	183 Å²	183	82.8 Å²	82.8	69%	0.691	47%	0.467	S	S	*	.	H	α-helix	trans	-62	-38.7	-179.6	-79.9	177.4	168.7	178.8	-1.8	113.1	A99 S100 G101 N107	A99-R103 WeakPolarHBondContact O-CG 3.35Å; A99-R103 PolarHBondContact O-N 2.72Å; S100-R103 PolarHBondContact O-N 2.75Å; G101-R103 PolarHBondContact O-N 2.69Å; R103-N107 WeakPolarHBondContact O-CB 3.22Å; R103-N107 VanDerWaalsContact O-CG 3.26Å; R103-N107 PolarHBondContact O-N 3.14Å; R103-N107 PolarHBondContact O-ND2 3.29Å
104	M	68.7	Low	67.9	Low	147 Å²	147	81.2 Å²	81.2	72%	0.724	46%	0.458	S	S	*	.	H	α-helix	trans	-66.2	-43.6	178.1	-170.3	171	-179.4	0	0	111.4	S100 G101 S102 N107 M108	S100-M104 PolarHBondContact O-N 2.59Å; S100-M104 VanDerWaalsContact O-N 3.12Å; G101-M104 PolarHBondContact O-N 3.41Å; S102-M104 VanDerWaalsContact C-N 3.34Å; S102-M104 PolarHBondContact O-N 2.97Å; M104-N107 PolarHBondContact O-N 3.03Å; M104-M108 WeakPolarHBondContact O-CB 3.25Å; M104-M108 PolarHBondContact O-N 3.44Å
105	T	77.9	Confident	70.4	Confident	77 Å²	77	77.3 Å²	77.3	47%	0.472	43%	0.434	S	S	.	.	H	α-helix	trans	-60.9	-46.5	175.3	-57.9	0	0	0	0	111.3	G101 S102 N107 M108 L109	G101-T105 PolarHBondContact O-N 3.15Å; G101-T105 PolarHBondContact O-OG1 3.12Å; S102-T105 PolarHBondContact O-N 2.84Å; T105-N107 PolarHBondContact O-N 2.87Å; T105-M108 WeakPolarHBondContact O-CB 3.24Å; T105-M108 PolarHBondContact O-N 2.65Å; T105-L109 HydrophobicContact CG2-CD1 4.42Å; T105-L109 WeakPolarHBondContact O-CG 3.33Å; T105-L109 PolarHBondContact O-N 3.04Å
106	L	83.2	Confident	72.7	Confident	14 Å²	14	75.9 Å²	75.9	7%	0.073	43%	0.429	C	S	.	.	H	α-helix	trans	-61.2	-45.1	177.3	-66.1	172.7	0	0	0	112.3	S102 M108 L109 C110 P167 T170	S102-L106 VanDerWaalsContact O-CG 3.24Å; S102-L106 WeakPolarHBondContact O-CG 3.39Å; S102-L106 PolarHBondContact O-N 2.78Å; L106-M108 VanDerWaalsContact C-N 3.29Å; L106-M108 PolarHBondContact O-N 3.02Å; L106-L109 PolarHBondContact O-N 3.4Å; L106-C110 PolarHBondContact O-N 3.17Å; L106-C110 PolarHBondContact O-SG 3.34Å; L106-P167 HydrophobicContact CD1-CB 3.83Å; L106-P167 HydrophobicContact CD1-CG 3.66Å; L106-T170 HydrophobicContact CD2-CG2 3.88Å; L106-T170 WeakPolarHBondContact CD2-O 3.23Å
107	N	84.9	Confident	75	Confident	104 Å²	104	81.8 Å²	81.8	56%	0.556	45%	0.445	S	S	*	.	H	α-helix	trans	-60.4	-40.6	176	-77	-24	0	0	0	111.6	R103 M104 T105 C110 I111	R103-N107 WeakPolarHBondContact O-CB 3.22Å; R103-N107 VanDerWaalsContact O-CG 3.26Å; R103-N107 PolarHBondContact O-N 3.14Å; R103-N107 PolarHBondContact O-ND2 3.29Å; M104-N107 PolarHBondContact O-N 3.03Å; T105-N107 PolarHBondContact O-N 2.87Å; N107-C110 PolarHBondContact O-N 3.38Å; N107-I111 WeakPolarHBondContact O-CB 3.49Å; N107-I111 WeakPolarHBondContact O-CD1 3.41Å; N107-I111 WeakPolarHBondContact O-CG1 3.15Å; N107-I111 PolarHBondContact O-N 2.99Å
108	M	87.8	Confident	77.7	Confident	120 Å²	120	80.3 Å²	80.3	59%	0.591	43%	0.429	S	S	*	.	H	α-helix	trans	-64.5	-42.8	177.3	-168.8	172.7	-173.1	0	0	111.7	M104 T105 L106 I111 L112	M104-M108 WeakPolarHBondContact O-CB 3.25Å; M104-M108 PolarHBondContact O-N 3.44Å; T105-M108 WeakPolarHBondContact O-CB 3.24Å; T105-M108 PolarHBondContact O-N 2.65Å; L106-M108 VanDerWaalsContact C-N 3.29Å; L106-M108 PolarHBondContact O-N 3.02Å; M108-I111 PolarHBondContact O-N 3.32Å; M108-L112 HydrophobicContact CE-CD1 4.36Å; M108-L112 HydrophobicContact CG-CD1 4.03Å; M108-L112 HydrophobicContact CG-CG 4.39Å; M108-L112 WeakPolarHBondContact O-CB 3.17Å; M108-L112 VanDerWaalsContact O-CG 3.29Å; M108-L112 WeakPolarHBondContact O-CG 3.11Å; M108-L112 PolarHBondContact O-N 3.46Å
109	L	87.7	Confident	80.3	Confident	16 Å²	16	80.8 Å²	80.8	8%	0.084	42%	0.423	C	S	.	.	H	α-helix	trans	-59.6	-47.1	175.2	-69.1	174.8	0	0	0	111.7	T105 L106 I111 L112 G113 T170 D175	T105-L109 HydrophobicContact CG2-CD1 4.42Å; T105-L109 WeakPolarHBondContact O-CG 3.33Å; T105-L109 PolarHBondContact O-N 3.04Å; L106-L109 PolarHBondContact O-N 3.4Å; L109-I111 PolarHBondContact O-N 3.48Å; L109-L112 PolarHBondContact O-N 3.28Å; L109-G113 PolarHBondContact O-N 3.03Å; L109-T170 HydrophobicContact CB-CG2 3.96Å; L109-T170 HydrophobicContact CD1-CG2 3.62Å; L109-T170 HydrophobicContact CG-CG2 4.44Å; L109-D175 VanDerWaalsContact CD2-O 3.23Å; L109-D175 WeakPolarHBondContact CD2-O 3.35Å
110	C	90.6	Very high	82.1	Confident	23 Å²	23	81.4 Å²	81.4	16%	0.155	41%	0.411	C	S	.	.	H	α-helix	trans	-62.4	-40.2	176.7	-71.9	0	0	0	0	112.6	L106 N107 K114 V115	L106-C110 PolarHBondContact O-N 3.17Å; L106-C110 PolarHBondContact O-SG 3.34Å; N107-C110 PolarHBondContact O-N 3.38Å; C110-K114 PolarHBondContact O-N 3.26Å; C110-V115 HydrophobicContact CB-CB 4.03Å; C110-V115 HydrophobicContact CB-CG2 4.22Å; C110-V115 WeakPolarHBondContact O-CB 3.2Å; C110-V115 PolarHBondContact O-N 3.38Å
111	I	91.6	Very high	84	Confident	117 Å²	117	76.9 Å²	76.9	60%	0.6	38%	0.38	S	S	*	.	H	α-helix	trans	-66	-49	177.9	-70.6	164.5	0	0	0	110.9	N107 M108 L109 G113 K114	N107-I111 WeakPolarHBondContact O-CB 3.49Å; N107-I111 WeakPolarHBondContact O-CD1 3.41Å; N107-I111 WeakPolarHBondContact O-CG1 3.15Å; N107-I111 PolarHBondContact O-N 2.99Å; M108-I111 PolarHBondContact O-N 3.32Å; L109-I111 PolarHBondContact O-N 3.48Å; I111-G113 VanDerWaalsContact C-N 3.26Å; I111-G113 PolarHBondContact O-N 3.44Å; I111-K114 PolarHBondContact O-N 3Å
112	L	89.4	Confident	86	Confident	108 Å²	108	78.2 Å²	78.2	57%	0.565	38%	0.378	S	S	*	.	H	α-helix	trans	-62.3	-36.9	178.9	-70.2	173.3	0	0	0	111.7	M108 L109 K114	M108-L112 HydrophobicContact CE-CD1 4.36Å; M108-L112 HydrophobicContact CG-CD1 4.03Å; M108-L112 HydrophobicContact CG-CG 4.39Å; M108-L112 WeakPolarHBondContact O-CB 3.17Å; M108-L112 VanDerWaalsContact O-CG 3.29Å; M108-L112 WeakPolarHBondContact O-CG 3.11Å; M108-L112 PolarHBondContact O-N 3.46Å; L109-L112 PolarHBondContact O-N 3.28Å; L112-K114 PolarHBondContact O-N 2.72Å
113	G	92.2	Very high	87.4	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.01	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-0.3	175.1	0	0	0	0	0	115.3	L109 I111 V115 V177 W179	L109-G113 PolarHBondContact O-N 3.03Å; I111-G113 VanDerWaalsContact C-N 3.26Å; I111-G113 PolarHBondContact O-N 3.44Å; G113-V115 PolarHBondContact O-N 3.47Å; G113-V177 WeakPolarHBondContact CA-O 3.02Å; G113-W179 VanDerWaalsContact O-CB 3.3Å; G113-W179 WeakPolarHBondContact O-CB 3.19Å; G113-W179 PolarHBondContact O-N 2.8Å
114	K	93.9	Very high	88.7	Confident	117 Å²	117	73.5 Å²	73.5	51%	0.509	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	30.1	-174.1	-57.1	-177.8	-180	173.8	0	113.6	C110 I111 L112 P116 D197	C110-K114 PolarHBondContact O-N 3.26Å; I111-K114 PolarHBondContact O-N 3Å; L112-K114 PolarHBondContact O-N 2.72Å; K114-P116 WeakPolarHBondContact O-CD 3.49Å; K114-D197 IonicContact NZ-OD1 3Å; K114-D197 IonicContact NZ-OD2 3.94Å; K114-D197 PolarHBondContact NZ-OD2 2.85Å
115	V	95.5	Very high	90	Very high	20 Å²	20	67.1 Å²	67.1	12%	0.121	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-65	125.9	179.6	179.8	0	0	0	0	109.9	C110 G113 R117 L164 V177 W179	C110-V115 HydrophobicContact CB-CB 4.03Å; C110-V115 HydrophobicContact CB-CG2 4.22Å; C110-V115 WeakPolarHBondContact O-CB 3.2Å; C110-V115 PolarHBondContact O-N 3.38Å; G113-V115 PolarHBondContact O-N 3.47Å; V115-R117 PolarHBondContact O-N 3.44Å; V115-L164 HydrophobicContact CB-CD1 4.47Å; V115-L164 HydrophobicContact CG1-CD1 3.87Å; V115-L164 HydrophobicContact CG2-CD1 3.69Å; V115-V177 HydrophobicContact CG2-CG2 3.78Å; V115-W179 HydrophobicContact CG1-CE3 4.25Å; V115-W179 HydrophobicContact CG1-CZ3 4.47Å
116	P	95.4	Very high	90.8	Very high	57 Å²	57	66.6 Å²	66.6	37%	0.37	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-59	138.4	177.4	-24.8	33.9	0	0	0	112	K114 W179	K114-P116 WeakPolarHBondContact O-CD 3.49Å; P116-W179 VanDerWaalsContact CD-CE2 3.48Å; P116-W179 HydrophobicContact CG-CD2 4.05Å; P116-W179 HydrophobicContact CG-CG 4.44Å; P116-W179 HydrophobicContact CG-CH2 4.44Å; P116-W179 HydrophobicContact CG-CZ2 3.85Å
117	R	92.3	Very high	91.4	Very high	224 Å²	224	72.6 Å²	72.6	85%	0.845	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-67.1	150	172.8	-66.9	-176.4	179.6	173.4	0.6	110.3	V115	V115-R117 PolarHBondContact O-N 3.44Å
118	K	92.2	Very high	91.9	Very high	87 Å²	87	68 Å²	68	38%	0.378	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-57	136.3	171.5	-66	177.2	178	-174.4	0	109.4	Y122	K118-Y122 HydrophobicContact CB-CD2 4.16Å; K118-Y122 HydrophobicContact CB-CG 3.97Å; K118-Y122 HydrophobicContact CD-CD1 3.77Å; K118-Y122 HydrophobicContact CD-CD2 4.29Å; K118-Y122 HydrophobicContact CD-CE1 3.78Å; K118-Y122 HydrophobicContact CD-CE2 4.29Å; K118-Y122 HydrophobicContact CD-CG 4.03Å; K118-Y122 HydrophobicContact CG-CD1 4.49Å; K118-Y122 HydrophobicContact CG-CD2 4.21Å; K118-Y122 HydrophobicContact CG-CE2 4.4Å; K118-Y122 HydrophobicContact CG-CG 4.24Å
119	P	90.9	Very high	92.4	Very high	59 Å²	59	63.1 Å²	63.1	38%	0.383	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-64.8	161.7	179.5	28	-35.2	0	0	0	111.3	Y122 V158	P119-Y122 VanDerWaalsContact O-CB 3.29Å; P119-Y122 WeakPolarHBondContact O-CB 3.35Å; P119-Y122 PolarHBondContact O-N 2.94Å; P119-Y122 VanDerWaalsContact O-N 3.16Å; P119-V158 HydrophobicContact CG-CG1 4.13Å; P119-V158 HydrophobicContact CG-CG2 4.14Å
120	Q	84.8	Confident	92.8	Very high	99 Å²	99	66.4 Å²	66.4	46%	0.463	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	139.2	169.4	-162.9	-169.3	-10.8	0	0	109.7	Y122 W292 K326	Q120-Y122 PolarHBondContact O-N 3.01Å; Q120-W292 WeakPolarHBondContact O-CZ2 3.31Å; Q120-W292 PolarHBondContact O-NE1 3.44Å; Q120-K326 VanDerWaalsContact CD-NZ 3.28Å; Q120-K326 VanDerWaalsContact NE2-CD 3.33Å
121	G	84.5	Confident	93.2	Very high	6 Å²	6	70.5 Å²	70.5	6%	0.062	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	20.6	-174.8	0	0	0	0	0	112.9	V123	G121-V123 PolarHBondContact O-N 3.34Å
122	Y	93	Very high	93.5	Very high	52 Å²	52	64.9 Å²	64.9	20%	0.204	32%	0.315	C	S	.	.			trans	-52.8	125.5	171.3	171.7	-97.6	0	0	0	110.6	K118 P119 Q120 E124 V158 A162	K118-Y122 HydrophobicContact CB-CD2 4.16Å; K118-Y122 HydrophobicContact CB-CG 3.97Å; K118-Y122 HydrophobicContact CD-CD1 3.77Å; K118-Y122 HydrophobicContact CD-CD2 4.29Å; K118-Y122 HydrophobicContact CD-CE1 3.78Å; K118-Y122 HydrophobicContact CD-CE2 4.29Å; K118-Y122 HydrophobicContact CD-CG 4.03Å; K118-Y122 HydrophobicContact CG-CD1 4.49Å; K118-Y122 HydrophobicContact CG-CD2 4.21Å; K118-Y122 HydrophobicContact CG-CE2 4.4Å; K118-Y122 HydrophobicContact CG-CG 4.24Å; P119-Y122 VanDerWaalsContact O-CB 3.29Å; P119-Y122 WeakPolarHBondContact O-CB 3.35Å; P119-Y122 PolarHBondContact O-N 2.94Å; P119-Y122 VanDerWaalsContact O-N 3.16Å; Q120-Y122 PolarHBondContact O-N 3.01Å; Y122-E124 HydrophobicContact CE1-CB 3.99Å; Y122-V158 HydrophobicContact CD2-CG1 3.67Å; Y122-V158 HydrophobicContact CE2-CG1 3.73Å; Y122-A162 HydrophobicContact CE2-CB 3.89Å; Y122-A162 WeakPolarHBondContact OH-CB 3.49Å
123	V	93.1	Very high	93.9	Very high	9 Å²	9	61.5 Å²	61.5	6%	0.055	30%	0.296	C	S	.	.			trans	-114.9	126.4	171.2	179.6	0	0	0	0	108.4	G121 R125 F280 E284 R287 A288	G121-V123 PolarHBondContact O-N 3.34Å; V123-R125 PolarHBondContact O-N 3.44Å; V123-F280 HydrophobicContact CB-CE1 4.33Å; V123-E284 HydrophobicContact CG1-CB 3.84Å; V123-E284 HydrophobicContact CG1-CG 3.79Å; V123-R287 HydrophobicContact CG1-CB 4.48Å; V123-R287 HydrophobicContact CG2-CB 4.19Å; V123-A288 HydrophobicContact CG2-CB 3.52Å
124	E	94.4	Very high	94.2	Very high	87 Å²	87	63.7 Å²	63.7	41%	0.407	31%	0.313	S	S	.	.			trans	-70	127.9	177.8	-166.4	175	110.1	0	0	110.8	Y122 T126 L129	Y122-E124 HydrophobicContact CE1-CB 3.99Å; E124-T126 PolarHBondContact OE1-OG1 2.66Å; E124-L129 HydrophobicContact CG-CD1 3.45Å; E124-L129 VanDerWaalsContact CG-CD1 3.45Å
125	R	94.9	Very high	94.4	Very high	12 Å²	12	58.4 Å²	58.4	5%	0.045	29%	0.292	C	S	.	.			trans	-106.9	71	177.8	-57.6	177.9	74.4	-167.3	0.1	108.7	V123 L127 L128 L129 C154 L159 P277 G279 F280	V123-R125 PolarHBondContact O-N 3.44Å; R125-L127 VanDerWaalsContact C-N 3.35Å; R125-L127 PolarHBondContact O-N 2.9Å; R125-L128 HydrophobicContact CB-CB 4.45Å; R125-L128 HydrophobicContact CB-CD1 4.26Å; R125-L128 VanDerWaalsContact NH2-CD1 3.29Å; R125-L128 PolarHBondContact O-N 2.88Å; R125-L129 PolarHBondContact O-N 3.3Å; R125-L129 VanDerWaalsContact O-N 3.12Å; R125-C154 PolarHBondContact NH1-O 3.29Å; R125-L159 HydrophobicContact CB-CD2 4.06Å; R125-P277 PolarHBondContact NH2-O 2.92Å; R125-G279 PolarHBondContact NH2-O 3.27Å; R125-F280 HydrophobicContact CG-CD1 4.29Å; R125-F280 HydrophobicContact CG-CE1 4.08Å
126	T	94.5	Very high	94.5	Very high	67 Å²	67	57.4 Å²	57.4	41%	0.411	29%	0.286	S	S	.	.	H	α-helix	trans	-51.2	-47	-165.3	-49.6	0	0	0	0	113.1	E124 L128 L129 D130	E124-T126 PolarHBondContact OE1-OG1 2.66Å; T126-L128 VanDerWaalsContact C-N 3.27Å; T126-L128 PolarHBondContact O-N 2.81Å; T126-L129 PolarHBondContact O-N 3.19Å; T126-L129 VanDerWaalsContact O-N 3.08Å; T126-D130 VanDerWaalsContact O-CG 3.29Å; T126-D130 PolarHBondContact O-N 2.7Å
127	L	94.9	Very high	94.5	Very high	139 Å²	139	58.4 Å²	58.4	73%	0.728	28%	0.284	S	S	*	.	H	α-helix	trans	-58.3	-34.5	179.1	-65	177.3	0	0	0	114.1	R125 K131	R125-L127 VanDerWaalsContact C-N 3.35Å; R125-L127 PolarHBondContact O-N 2.9Å; L127-K131 WeakPolarHBondContact O-CG 3.39Å; L127-K131 PolarHBondContact O-N 3.02Å
128	L	96.8	Very high	94.7	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-79.6	-36.4	177.7	-72.1	168.9	0	0	0	111.5	R125 T126 D130 K131 I132 L159 V275	R125-L128 HydrophobicContact CB-CB 4.45Å; R125-L128 HydrophobicContact CB-CD1 4.26Å; R125-L128 VanDerWaalsContact NH2-CD1 3.29Å; R125-L128 PolarHBondContact O-N 2.88Å; T126-L128 VanDerWaalsContact C-N 3.27Å; T126-L128 PolarHBondContact O-N 2.81Å; L128-D130 VanDerWaalsContact C-N 3.34Å; L128-K131 HydrophobicContact CD2-CD 4.41Å; L128-K131 PolarHBondContact O-N 2.82Å; L128-I132 WeakPolarHBondContact O-CG1 3.45Å; L128-I132 PolarHBondContact O-N 3Å; L128-L159 HydrophobicContact CB-CD1 4.23Å; L128-L159 HydrophobicContact CB-CD2 3.99Å; L128-L159 HydrophobicContact CD1-CD1 4.01Å; L128-V275 HydrophobicContact CD1-CG1 4.07Å
129	L	97.4	Very high	94.8	Very high	17 Å²	17	49.8 Å²	49.8	9%	0.089	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-42.6	173.6	-67.6	175.8	0	0	0	111.2	E124 R125 T126 K131 I132 K133 L159 A162 V163	E124-L129 HydrophobicContact CG-CD1 3.45Å; E124-L129 VanDerWaalsContact CG-CD1 3.45Å; R125-L129 PolarHBondContact O-N 3.3Å; R125-L129 VanDerWaalsContact O-N 3.12Å; T126-L129 PolarHBondContact O-N 3.19Å; T126-L129 VanDerWaalsContact O-N 3.08Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.77Å; L129-I132 PolarHBondContact O-N 3.03Å; L129-K133 VanDerWaalsContact O-CB 3.28Å; L129-K133 WeakPolarHBondContact O-CB 3.37Å; L129-K133 PolarHBondContact O-N 3.39Å; L129-L159 HydrophobicContact CD2-CD2 3.92Å; L129-L159 HydrophobicContact CG-CD2 4.21Å; L129-A162 HydrophobicContact CD2-CB 3.88Å; L129-V163 HydrophobicContact CD2-CB 4.19Å
130	D	97.3	Very high	94.6	Very high	85 Å²	85	51.5 Å²	51.5	46%	0.455	26%	0.261	S	S	.	.	H	α-helix	trans	-61.9	-39.1	176.6	-67.7	-25.5	0	0	0	111.7	T126 L128 K133 A134	T126-D130 VanDerWaalsContact O-CG 3.29Å; T126-D130 PolarHBondContact O-N 2.7Å; L128-D130 VanDerWaalsContact C-N 3.34Å; D130-K133 PolarHBondContact O-N 2.96Å; D130-A134 VanDerWaalsContact O-CB 3.25Å; D130-A134 WeakPolarHBondContact O-CB 3.35Å; D130-A134 PolarHBondContact O-N 2.88Å
131	K	97.9	Very high	94.8	Very high	109 Å²	109	50.9 Å²	50.9	47%	0.474	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-45.1	173.8	-74.7	175	-177.7	-177.4	0	112.3	L127 L128 L129 A135 V273	L127-K131 WeakPolarHBondContact O-CG 3.39Å; L127-K131 PolarHBondContact O-N 3.02Å; L128-K131 HydrophobicContact CD2-CD 4.41Å; L128-K131 PolarHBondContact O-N 2.82Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.77Å; K131-A135 WeakPolarHBondContact O-CB 3.31Å; K131-A135 PolarHBondContact O-N 3.27Å; K131-V273 HydrophobicContact CB-CG1 3.95Å
132	I	98.4	Very high	95.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-44.2	177.9	-61.7	168.5	0	0	0	110.1	L128 L129 A135 L136 V148 L159 V163 L254 V273	L128-I132 WeakPolarHBondContact O-CG1 3.45Å; L128-I132 PolarHBondContact O-N 3Å; L129-I132 PolarHBondContact O-N 3.03Å; I132-A135 PolarHBondContact O-N 2.95Å; I132-L136 HydrophobicContact CG2-CD1 4.12Å; I132-L136 HydrophobicContact CG2-CG 4.49Å; I132-L136 WeakPolarHBondContact O-CG 3.35Å; I132-L136 PolarHBondContact O-N 3.19Å; I132-V148 HydrophobicContact CD1-CG1 4.3Å; I132-V148 HydrophobicContact CD1-CG2 3.85Å; I132-V148 HydrophobicContact CG1-CG2 3.91Å; I132-V148 HydrophobicContact CG2-CG2 4.41Å; I132-L159 HydrophobicContact CD1-CB 3.7Å; I132-V163 HydrophobicContact CB-CG2 4.39Å; I132-V163 HydrophobicContact CG2-CB 4.25Å; I132-V163 HydrophobicContact CG2-CG1 3.92Å; I132-V163 HydrophobicContact CG2-CG2 4.08Å; I132-L254 HydrophobicContact CG2-CD1 4.16Å; I132-V273 HydrophobicContact CG1-CB 4.37Å; I132-V273 HydrophobicContact CG1-CG1 3.88Å; I132-V273 HydrophobicContact CG1-CG2 4.44Å
133	K	97.7	Very high	95.3	Very high	37 Å²	37	56.1 Å²	56.1	16%	0.161	29%	0.289	C	S	.	.	H	α-helix	trans	-57.7	-50.1	176.2	179.1	171.8	-176.6	175.7	0	110.9	L129 D130 A135 L136 F137 V163 D166 E168 I169	L129-K133 VanDerWaalsContact O-CB 3.28Å; L129-K133 WeakPolarHBondContact O-CB 3.37Å; L129-K133 PolarHBondContact O-N 3.39Å; D130-K133 PolarHBondContact O-N 2.96Å; K133-A135 VanDerWaalsContact C-N 3.35Å; K133-A135 PolarHBondContact O-N 2.95Å; K133-L136 PolarHBondContact O-N 3.47Å; K133-F137 HydrophobicContact CD-CE2 4.32Å; K133-F137 HydrophobicContact CG-CD2 3.89Å; K133-F137 HydrophobicContact CG-CE2 3.66Å; K133-F137 WeakPolarHBondContact O-CD2 3.39Å; K133-F137 PolarHBondContact O-N 3.12Å; K133-V163 HydrophobicContact CB-CG2 4.26Å; K133-D166 WeakPolarHBondContact CD-OD2 3.4Å; K133-D166 VanDerWaalsContact CE-OD2 3.31Å; K133-D166 WeakPolarHBondContact CE-OD2 3.41Å; K133-D166 IonicContact NZ-OD1 3.64Å; K133-D166 IonicContact NZ-OD2 3.4Å; K133-D166 PolarHBondContact NZ-OD2 2.92Å; K133-E168 VanDerWaalsContact CE-OE2 3.26Å; K133-E168 WeakPolarHBondContact CE-OE2 3.28Å; K133-E168 IonicContact NZ-OE2 3.1Å; K133-E168 PolarHBondContact NZ-OE2 3.45Å; K133-I169 HydrophobicContact CB-CD1 4.42Å; K133-I169 HydrophobicContact CG-CD1 3.89Å; K133-I169 HydrophobicContact CG-CG1 4.2Å
134	A	97.7	Very high	95.5	Very high	46 Å²	46	55.7 Å²	55.7	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-60.1	-42.7	177.2	0	0	0	0	0	112.3	D130 L136 F137 Q138	D130-A134 VanDerWaalsContact O-CB 3.25Å; D130-A134 WeakPolarHBondContact O-CB 3.35Å; D130-A134 PolarHBondContact O-N 2.88Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 2.82Å; A134-F137 PolarHBondContact O-N 3.18Å; A134-Q138 WeakPolarHBondContact O-CG 3.44Å; A134-Q138 PolarHBondContact O-N 3.37Å
135	A	98.1	Very high	95.7	Very high	6 Å²	6	51.6 Å²	51.6	5%	0.05	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-38.4	176.3	0	0	0	0	0	112.4	K131 I132 K133 Q138 V146 H271 V273	K131-A135 WeakPolarHBondContact O-CB 3.31Å; K131-A135 PolarHBondContact O-N 3.27Å; I132-A135 PolarHBondContact O-N 2.95Å; K133-A135 VanDerWaalsContact C-N 3.35Å; K133-A135 PolarHBondContact O-N 2.95Å; A135-Q138 PolarHBondContact O-N 3.32Å; A135-V146 HydrophobicContact CB-CB 4.5Å; A135-V146 HydrophobicContact CB-CG1 3.77Å; A135-V146 HydrophobicContact CB-CG2 3.87Å; A135-H271 HydrophobicContact CB-CB 3.95Å; A135-V273 HydrophobicContact CB-CG2 3.87Å
136	L	97.8	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-39.9	174.9	-72.6	168.4	0	0	0	111.9	I132 K133 A134 Q138 L139 V146 V163 I169 L173 F174 L231 L254	I132-L136 HydrophobicContact CG2-CD1 4.12Å; I132-L136 HydrophobicContact CG2-CG 4.49Å; I132-L136 WeakPolarHBondContact O-CG 3.35Å; I132-L136 PolarHBondContact O-N 3.19Å; K133-L136 PolarHBondContact O-N 3.47Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 2.82Å; L136-Q138 VanDerWaalsContact C-N 3.28Å; L136-Q138 PolarHBondContact O-N 3.35Å; L136-L139 PolarHBondContact O-N 2.8Å; L136-V146 HydrophobicContact CD2-CB 4.23Å; L136-V146 HydrophobicContact CD2-CG2 3.82Å; L136-V146 HydrophobicContact CG-CG2 4.16Å; L136-V163 HydrophobicContact CD1-CG1 4.33Å; L136-V163 HydrophobicContact CD1-CG2 4.28Å; L136-I169 HydrophobicContact CB-CD1 4.06Å; L136-I169 HydrophobicContact CD1-CD1 3.91Å; L136-I169 HydrophobicContact CD1-CG1 4.48Å; L136-I169 HydrophobicContact CD1-CG2 4.06Å; L136-L173 HydrophobicContact CB-CD2 4.17Å; L136-F174 HydrophobicContact CD2-CE2 4.18Å; L136-F174 HydrophobicContact CD2-CZ 4.44Å; L136-L231 HydrophobicContact CD2-CD1 4.07Å; L136-L231 HydrophobicContact CD2-CD2 4.26Å; L136-L254 HydrophobicContact CD2-CB 4.47Å
137	F	96	Very high	96	Very high	77 Å²	77	47.8 Å²	47.8	34%	0.338	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-29.8	174	-83	-69.2	0	0	0	113.3	K133 A134 L139 D140 E168 I169 L173	K133-F137 HydrophobicContact CD-CE2 4.32Å; K133-F137 HydrophobicContact CG-CD2 3.89Å; K133-F137 HydrophobicContact CG-CE2 3.66Å; K133-F137 WeakPolarHBondContact O-CD2 3.39Å; K133-F137 PolarHBondContact O-N 3.12Å; A134-F137 PolarHBondContact O-N 3.18Å; F137-L139 PolarHBondContact O-N 3.11Å; F137-D140 PolarHBondContact O-N 2.68Å; F137-E168 HydrophobicContact CZ-CB 4.03Å; F137-I169 HydrophobicContact CD2-CD1 4.38Å; F137-I169 HydrophobicContact CE2-CD1 3.91Å; F137-I169 HydrophobicContact CZ-CD1 4.42Å; F137-L173 HydrophobicContact CD1-CD1 4.42Å; F137-L173 HydrophobicContact CD1-CD2 4.15Å; F137-L173 HydrophobicContact CE1-CB 4.49Å; F137-L173 HydrophobicContact CE1-CD1 4.46Å; F137-L173 HydrophobicContact CE1-CD2 4.23Å; F137-L173 HydrophobicContact CG-CD2 4.46Å
138	Q	96.1	Very high	96.2	Very high	122 Å²	122	41.2 Å²	41.2	57%	0.57	21%	0.211	S	C	*	.	H	α-helix	trans	-69.6	-19.6	177.9	-74.6	172.8	2	0	0	113.7	A134 A135 L136 D140 H271	A134-Q138 WeakPolarHBondContact O-CG 3.44Å; A134-Q138 PolarHBondContact O-N 3.37Å; A135-Q138 PolarHBondContact O-N 3.32Å; L136-Q138 VanDerWaalsContact C-N 3.28Å; L136-Q138 PolarHBondContact O-N 3.35Å; Q138-D140 PolarHBondContact O-N 2.81Å; Q138-H271 VanDerWaalsContact CB-CE1 3.48Å; Q138-H271 WeakPolarHBondContact CB-CE1 3.31Å; Q138-H271 PolarHBondContact OE1-CE1 3.15Å; Q138-H271 PolarHBondContact OE1-ND1 2.8Å
139	L	94.2	Very high	96.3	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.042	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.2	171.9	-63.2	-178	0	0	0	112.6	L136 F137 N141 E142 V146 R252	L136-L139 PolarHBondContact O-N 2.8Å; F137-L139 PolarHBondContact O-N 3.11Å; L139-N141 PolarHBondContact O-N 2.86Å; L139-E142 PolarHBondContact O-N 3.13Å; L139-V146 HydrophobicContact CD1-CG2 3.94Å; L139-V146 HydrophobicContact CG-CG2 4.16Å; L139-R252 HydrophobicContact CB-CG 4.3Å; L139-R252 HydrophobicContact CD1-CB 4.04Å; L139-R252 HydrophobicContact CD1-CG 3.99Å
140	D	88	Confident	96.2	Very high	95 Å²	95	42.1 Å²	42.1	51%	0.508	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	-124	-172.9	-171.3	29.6	0	0	0	111.4	F137 Q138 R252	F137-D140 PolarHBondContact O-N 2.68Å; Q138-D140 PolarHBondContact O-N 2.81Å; D140-R252 PolarHBondContact O-NH1 3.25Å
141	N	88.9	Confident	96.1	Very high	86 Å²	86	43.6 Å²	43.6	46%	0.46	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	8.8	177.3	-55.1	-53.4	0	0	0	112.8	E4 L139	E4-N141 PolarHBondContact OE1-OD1 3.27Å; L139-N141 PolarHBondContact O-N 2.86Å
142	E	92.3	Very high	95.9	Very high	131 Å²	131	40.9 Å²	40.9	61%	0.612	22%	0.217	S	C	*	.	S	Bend	trans	-93	149	-176.8	-65.8	-60.7	147.4	0	0	111.6	L139 R252	L139-E142 PolarHBondContact O-N 3.13Å; E142-R252 WeakPolarHBondContact O-CG 3.42Å
143	P	94.4	Very high	95.7	Very high	38 Å²	38	42.2 Å²	42.2	25%	0.247	23%	0.231	C	C	.	.			trans	-56.7	141.1	168	-24.9	36.2	0	0	0	112	Q250	P143-Q250 VanDerWaalsContact CB-C 3.5Å; P143-Q250 HydrophobicContact CB-CB 4.42Å; P143-Q250 HydrophobicContact CG-CB 4.25Å; P143-Q250 VanDerWaalsContact CG-O 3.25Å; P143-Q250 WeakPolarHBondContact CG-O 3.19Å
144	G	97.1	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.1	179.7	176.8	0	0	0	0	0	114.5	C251 R252 I253 G269	G144-C251 PolarHBondContact N-O 3.43Å; G144-C251 VanDerWaalsContact N-O 3.11Å; G144-R252 WeakPolarHBondContact O-CA 3.47Å; G144-I253 PolarHBondContact O-N 2.79Å; G144-G269 CarbonylContact C-O 3.57Å; G144-G269 WeakPolarHBondContact CA-O 3.36Å
145	W	98.3	Very high	95.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.8	-168	-65.7	77.4	0	0	0	112	V147 L234 V243 D247 I253 A255 F263 V266 S268 G269 K270 H271	W145-V147 HydrophobicContact CB-CG2 4.19Å; W145-L234 HydrophobicContact CH2-CD1 3.83Å; W145-L234 HydrophobicContact CZ3-CD1 3.84Å; W145-V243 HydrophobicContact CH2-CG1 4.05Å; W145-V243 HydrophobicContact CZ2-CG1 4.09Å; W145-V243 WeakPolarHBondContact CZ2-O 3.45Å; W145-D247 HydrophobicContact CZ2-CB 3.94Å; W145-D247 PolarHBondContact NE1-OD1 3.1Å; W145-I253 CarbonylContact C-O 3.55Å; W145-I253 WeakPolarHBondContact CA-O 3.3Å; W145-I253 HydrophobicContact CD2-CB 3.97Å; W145-I253 HydrophobicContact CD2-CD1 4.28Å; W145-I253 HydrophobicContact CD2-CG2 4.29Å; W145-I253 HydrophobicContact CE3-CB 3.73Å; W145-I253 HydrophobicContact CE3-CD1 4.38Å; W145-I253 HydrophobicContact CE3-CG2 3.54Å; W145-I253 HydrophobicContact CH2-CB 4.42Å; W145-I253 HydrophobicContact CH2-CD1 3.62Å; W145-I253 HydrophobicContact CH2-CG2 4.03Å; W145-I253 HydrophobicContact CZ2-CD1 3.46Å; W145-I253 VanDerWaalsContact CZ2-CD1 3.46Å; W145-I253 HydrophobicContact CZ3-CB 3.98Å; W145-I253 HydrophobicContact CZ3-CD1 4.07Å; W145-I253 HydrophobicContact CZ3-CG2 3.39Å; W145-A255 HydrophobicContact CE3-CB 4.11Å; W145-A255 HydrophobicContact CZ3-CB 4.1Å; W145-F263 HydrophobicContact CD2-CD1 4.34Å; W145-F263 HydrophobicContact CD2-CE1 4.36Å; W145-F263 AromaticContact CE3-CD1 3.9Å; W145-F263 HydrophobicContact CE3-CD1 3.9Å; W145-F263 AromaticContact CE3-CE1 3.49Å; W145-F263 HydrophobicContact CE3-CE1 3.49Å; W145-F263 VanDerWaalsContact CE3-CE1 3.49Å; W145-F263 HydrophobicContact CH2-CE1 4.43Å; W145-F263 HydrophobicContact CZ3-CD1 4.22Å; W145-F263 AromaticContact CZ3-CE1 3.53Å; W145-F263 HydrophobicContact CZ3-CE1 3.53Å; W145-V266 HydrophobicContact CD2-CG2 4.38Å; W145-V266 HydrophobicContact CG-CG1 4.14Å; W145-V266 HydrophobicContact CG-CG2 4.43Å; W145-S268 PolarHBondContact NE1-OG 2.88Å; W145-G269 PolarHBondContact N-O 2.83Å; W145-K270 HydrophobicContact CB-CB 4.33Å; W145-K270 CarbonylContact O-C 3.54Å; W145-K270 WeakPolarHBondContact O-CA 3.48Å; W145-H271 PolarHBondContact O-N 2.61Å
146	V	98.6	Very high	95.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.2	157.8	177.5	0	0	0	0	107.8	A135 L136 L139 I253 L254 A255 H271 V273	A135-V146 HydrophobicContact CB-CB 4.5Å; A135-V146 HydrophobicContact CB-CG1 3.77Å; A135-V146 HydrophobicContact CB-CG2 3.87Å; L136-V146 HydrophobicContact CD2-CB 4.23Å; L136-V146 HydrophobicContact CD2-CG2 3.82Å; L136-V146 HydrophobicContact CG-CG2 4.16Å; L139-V146 HydrophobicContact CD1-CG2 3.94Å; L139-V146 HydrophobicContact CG-CG2 4.16Å; V146-I253 PolarHBondContact N-O 3.28Å; V146-L254 HydrophobicContact CB-CD1 3.8Å; V146-L254 HydrophobicContact CG1-CD1 3.6Å; V146-L254 CarbonylContact O-C 3.5Å; V146-L254 WeakPolarHBondContact O-CA 3.47Å; V146-A255 PolarHBondContact O-N 2.98Å; V146-H271 CarbonylContact C-O 3.24Å; V146-H271 WeakPolarHBondContact CA-O 3.49Å; V146-H271 HydrophobicContact CG2-CB 4.42Å; V146-V273 HydrophobicContact CG1-CG2 4.19Å
147	V	98.6	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	104.3	-175.7	-175.5	0	0	0	0	109.6	W145 H149 T257 F263 H271 F272 V273	W145-V147 HydrophobicContact CB-CG2 4.19Å; V147-H149 HydrophobicContact CG1-CB 4.49Å; V147-H149 PolarHBondContact O-N 2.87Å; V147-T257 HydrophobicContact CG1-CG2 3.79Å; V147-F263 HydrophobicContact CG1-CD1 4.42Å; V147-F263 HydrophobicContact CG1-CD2 3.74Å; V147-F263 HydrophobicContact CG1-CE1 4.36Å; V147-F263 HydrophobicContact CG1-CE2 3.73Å; V147-F263 HydrophobicContact CG1-CG 4.13Å; V147-F263 HydrophobicContact CG1-CZ 4.04Å; V147-F263 HydrophobicContact CG2-CB 4.29Å; V147-F263 HydrophobicContact CG2-CD1 3.45Å; V147-F263 VanDerWaalsContact CG2-CD1 3.45Å; V147-F263 HydrophobicContact CG2-CD2 4.2Å; V147-F263 HydrophobicContact CG2-CE1 3.75Å; V147-F263 HydrophobicContact CG2-CE2 4.48Å; V147-F263 HydrophobicContact CG2-CG 3.7Å; V147-F263 HydrophobicContact CG2-CZ 4.27Å; V147-H271 PolarHBondContact N-O 3.31Å; V147-F272 HydrophobicContact CB-CD1 3.63Å; V147-F272 HydrophobicContact CB-CE1 3.84Å; V147-F272 HydrophobicContact CB-CG 4.49Å; V147-F272 HydrophobicContact CG1-CD1 3.86Å; V147-F272 HydrophobicContact CG1-CE1 3.9Å; V147-F272 HydrophobicContact CG2-CD1 4.25Å; V147-F272 HydrophobicContact CG2-CE1 4.02Å; V147-V273 PolarHBondContact O-N 2.78Å
148	V	98.6	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.9	173.6	-176.3	0	0	0	0	108.7	I132 K156 L254 A255 T256 T257 V273 V275	I132-V148 HydrophobicContact CD1-CG1 4.3Å; I132-V148 HydrophobicContact CD1-CG2 3.85Å; I132-V148 HydrophobicContact CG1-CG2 3.91Å; I132-V148 HydrophobicContact CG2-CG2 4.41Å; V148-K156 HydrophobicContact CG1-CB 4.03Å; V148-K156 HydrophobicContact CG1-CG 4.21Å; V148-L254 HydrophobicContact CG2-CD1 3.71Å; V148-A255 PolarHBondContact N-O 3.2Å; V148-T256 HydrophobicContact CB-CG2 4.48Å; V148-T256 VanDerWaalsContact O-CA 3.3Å; V148-T256 WeakPolarHBondContact O-CA 3.22Å; V148-T257 PolarHBondContact O-N 2.93Å; V148-V273 WeakPolarHBondContact CA-O 3.43Å; V148-V273 HydrophobicContact CG2-CB 4.48Å; V148-V275 HydrophobicContact CG1-CG2 3.61Å
149	H	98.3	Very high	95.6	Very high	35 Å²	35	34.5 Å²	34.5	16%	0.162	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	160.8	-175.8	76.2	103.1	0	0	0	113.4	V147 T257 A260 V273 L274 V275	V147-H149 HydrophobicContact CG1-CB 4.49Å; V147-H149 PolarHBondContact O-N 2.87Å; H149-T257 VanDerWaalsContact CA-O 3.27Å; H149-T257 WeakPolarHBondContact CA-O 3.29Å; H149-T257 HydrophobicContact CB-CG2 3.74Å; H149-A260 HydrophobicContact CB-CB 4.3Å; H149-V273 PolarHBondContact N-O 3.36Å; H149-L274 VanDerWaalsContact CE1-CD1 3.46Å; H149-L274 WeakPolarHBondContact CE1-CD1 2.92Å; H149-V275 PolarHBondContact O-N 2.91Å
150	G	97	Very high	95.8	Very high	10 Å²	10	34.1 Å²	34.1	10%	0.103	20%	0.199	C	C	.	.			trans	153.1	179.9	-176.6	0	0	0	0	0	112.8	K156 T257	G150-K156 PolarHBondContact O-NZ 2.87Å; G150-T257 PolarHBondContact N-O 3.18Å
151	M	94.5	Very high	96.2	Very high	116 Å²	116	30 Å²	30	57%	0.571	18%	0.177	S	C	*	.	S	Bend	trans	-56	156.7	-175.8	-173	170.9	160.5	0	0	113.4	G153 C154 K156	M151-G153 PolarHBondContact O-N 3.21Å; M151-C154 PolarHBondContact O-N 2.95Å; M151-C154 PolarHBondContact O-SG 3.41Å; M151-K156 PolarHBondContact O-NZ 3.2Å
152	S	93.5	Very high	96.6	Very high	51 Å²	51	26.2 Å²	26.2	36%	0.357	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	139.7	171.9	-170.6	0	0	0	0	110.9	C154 R258 H314	S152-C154 PolarHBondContact O-N 3.29Å; S152-C154 VanDerWaalsContact O-N 3.12Å; S152-R258 PolarHBondContact OG-NH2 3.31Å; S152-H314 PolarHBondContact O-CE1 3.13Å; S152-H314 PolarHBondContact O-NE2 3.35Å; S152-H314 VanDerWaalsContact O-NE2 3.11Å
153	G	94	Very high	96.8	Very high	29 Å²	29	20.2 Å²	20.2	30%	0.299	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	8.8	175.6	0	0	0	0	0	116.7	M151 G155 H314 F316	M151-G153 PolarHBondContact O-N 3.21Å; G153-G155 PolarHBondContact O-N 2.83Å; G153-H314 PolarHBondContact O-CE1 3.17Å; G153-F316 PolarHBondContact O-N 3.39Å
154	C	95.5	Very high	96.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-77	-0.6	174.5	73.2	0	0	0	0	114.4	R125 M151 S152 V275 S278	R125-C154 PolarHBondContact NH1-O 3.29Å; M151-C154 PolarHBondContact O-N 2.95Å; M151-C154 PolarHBondContact O-SG 3.41Å; S152-C154 PolarHBondContact O-N 3.29Å; S152-C154 VanDerWaalsContact O-N 3.12Å; C154-V275 HydrophobicContact CB-CG1 4.16Å; C154-S278 VanDerWaalsContact CB-O 3.31Å; C154-S278 WeakPolarHBondContact CB-O 3.28Å
155	G	95.8	Very high	96.5	Very high	19 Å²	19	20.9 Å²	20.9	20%	0.196	14%	0.139	C	C	.	.	S	Bend	trans	93.5	18.4	174.2	0	0	0	0	0	116.4	G153 S157 V158 L159	G153-G155 PolarHBondContact O-N 2.83Å; G155-S157 PolarHBondContact O-N 3.46Å; G155-V158 WeakPolarHBondContact O-CB 3.35Å; G155-V158 PolarHBondContact O-N 2.81Å; G155-V158 VanDerWaalsContact O-N 3.08Å; G155-L159 WeakPolarHBondContact O-CG 3.49Å; G155-L159 PolarHBondContact O-N 3.38Å
156	K	97.6	Very high	96.1	Very high	13 Å²	13	22.9 Å²	22.9	6%	0.057	15%	0.15	C	C	.	.	H	α-helix	trans	-50.2	-53.3	178.2	-57.8	-179.4	-70.2	-81.7	0	113.5	V148 G150 M151 V158 L159 A160 T256 T257 V275	V148-K156 HydrophobicContact CG1-CB 4.03Å; V148-K156 HydrophobicContact CG1-CG 4.21Å; G150-K156 PolarHBondContact O-NZ 2.87Å; M151-K156 PolarHBondContact O-NZ 3.2Å; K156-V158 VanDerWaalsContact C-N 3.26Å; K156-V158 PolarHBondContact O-N 3.38Å; K156-L159 WeakPolarHBondContact O-CB 3.24Å; K156-L159 PolarHBondContact O-N 3.32Å; K156-L159 VanDerWaalsContact O-N 3.14Å; K156-A160 WeakPolarHBondContact O-CB 3.38Å; K156-A160 PolarHBondContact O-N 2.98Å; K156-T256 HydrophobicContact CB-CG2 4.31Å; K156-T257 WeakPolarHBondContact CD-O 3.34Å; K156-T257 WeakPolarHBondContact CE-O 3.49Å; K156-V275 HydrophobicContact CG-CG2 3.93Å
157	S	97.5	Very high	95.6	Very high	41 Å²	41	25.7 Å²	25.7	29%	0.287	17%	0.168	S	C	.	.	H	α-helix	trans	-62.1	-34.8	179.4	-45.2	0	0	0	0	111.9	G155 S161 W179 D235	G155-S157 PolarHBondContact O-N 3.46Å; S157-S161 PolarHBondContact O-N 2.78Å; S157-S161 PolarHBondContact O-OG 3.11Å; S157-W179 WeakPolarHBondContact O-CH2 3.23Å; S157-D235 WeakPolarHBondContact CB-OD1 3.37Å; S157-D235 PolarHBondContact OG-OD1 2.94Å
158	V	97.2	Very high	95.2	Very high	48 Å²	48	29.3 Å²	29.3	29%	0.291	19%	0.185	S	C	.	.	H	α-helix	trans	-70.5	-37.3	176	177.7	0	0	0	0	111.5	P119 Y122 G155 K156 S161 A162	P119-V158 HydrophobicContact CG-CG1 4.13Å; P119-V158 HydrophobicContact CG-CG2 4.14Å; Y122-V158 HydrophobicContact CD2-CG1 3.67Å; Y122-V158 HydrophobicContact CE2-CG1 3.73Å; G155-V158 WeakPolarHBondContact O-CB 3.35Å; G155-V158 PolarHBondContact O-N 2.81Å; G155-V158 VanDerWaalsContact O-N 3.08Å; K156-V158 VanDerWaalsContact C-N 3.26Å; K156-V158 PolarHBondContact O-N 3.38Å; V158-S161 PolarHBondContact O-OG 2.85Å; V158-A162 WeakPolarHBondContact O-CB 3.48Å; V158-A162 PolarHBondContact O-N 2.69Å
159	L	97.8	Very high	94.9	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-45.1	173.9	-70.7	166.1	0	0	0	111.2	R125 L128 L129 I132 G155 K156 S161 A162 V163 V275	R125-L159 HydrophobicContact CB-CD2 4.06Å; L128-L159 HydrophobicContact CB-CD1 4.23Å; L128-L159 HydrophobicContact CB-CD2 3.99Å; L128-L159 HydrophobicContact CD1-CD1 4.01Å; L129-L159 HydrophobicContact CD2-CD2 3.92Å; L129-L159 HydrophobicContact CG-CD2 4.21Å; I132-L159 HydrophobicContact CD1-CB 3.7Å; G155-L159 WeakPolarHBondContact O-CG 3.49Å; G155-L159 PolarHBondContact O-N 3.38Å; K156-L159 WeakPolarHBondContact O-CB 3.24Å; K156-L159 PolarHBondContact O-N 3.32Å; K156-L159 VanDerWaalsContact O-N 3.14Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.26Å; L159-A162 PolarHBondContact O-N 3.14Å; L159-V163 PolarHBondContact O-N 2.99Å; L159-V275 HydrophobicContact CD1-CG1 3.96Å; L159-V275 HydrophobicContact CD1-CG2 3.77Å
160	A	98.1	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-35.5	177.7	0	0	0	0	0	112.6	K156 V163 L164 W179 L254 T256	K156-A160 WeakPolarHBondContact O-CB 3.38Å; K156-A160 PolarHBondContact O-N 2.98Å; A160-V163 WeakPolarHBondContact O-CG1 3.37Å; A160-L164 WeakPolarHBondContact O-CG 3.42Å; A160-W179 HydrophobicContact CB-CH2 3.91Å; A160-W179 HydrophobicContact CB-CZ3 4.26Å; A160-L254 HydrophobicContact CB-CD2 3.95Å; A160-L254 HydrophobicContact CB-CG 4.45Å; A160-T256 HydrophobicContact CB-CG2 3.59Å
161	S	97.5	Very high	93.7	Very high	8 Å²	8	28.7 Å²	28.7	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-77.2	-35.4	172.9	68.9	0	0	0	0	112.4	S157 V158 L159 L164	S157-S161 PolarHBondContact O-N 2.78Å; S157-S161 PolarHBondContact O-OG 3.11Å; V158-S161 PolarHBondContact O-OG 2.85Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.26Å; S161-L164 PolarHBondContact O-N 3.16Å
162	A	96.3	Very high	93.2	Very high	6 Å²	6	27.2 Å²	27.2	5%	0.05	18%	0.178	C	C	.	.	H	α-helix	trans	-67.7	-36.6	-178.4	0	0	0	0	0	113.5	Y122 L129 V158 L159 L164 A165	Y122-A162 HydrophobicContact CE2-CB 3.89Å; Y122-A162 WeakPolarHBondContact OH-CB 3.49Å; L129-A162 HydrophobicContact CD2-CB 3.88Å; V158-A162 WeakPolarHBondContact O-CB 3.48Å; V158-A162 PolarHBondContact O-N 2.69Å; L159-A162 PolarHBondContact O-N 3.14Å; A162-L164 PolarHBondContact O-N 2.72Å; A162-A165 WeakPolarHBondContact O-CB 3.25Å; A162-A165 PolarHBondContact O-N 3.16Å; A162-A165 VanDerWaalsContact O-N 3.16Å
163	V	96.6	Very high	93	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.03	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-27.9	178.9	73	0	0	0	0	112.1	L129 I132 K133 L136 L159 A160 A165 D166 I169 L254	L129-V163 HydrophobicContact CD2-CB 4.19Å; I132-V163 HydrophobicContact CB-CG2 4.39Å; I132-V163 HydrophobicContact CG2-CB 4.25Å; I132-V163 HydrophobicContact CG2-CG1 3.92Å; I132-V163 HydrophobicContact CG2-CG2 4.08Å; K133-V163 HydrophobicContact CB-CG2 4.26Å; L136-V163 HydrophobicContact CD1-CG1 4.33Å; L136-V163 HydrophobicContact CD1-CG2 4.28Å; L159-V163 PolarHBondContact O-N 2.99Å; A160-V163 WeakPolarHBondContact O-CG1 3.37Å; V163-A165 PolarHBondContact O-N 3.35Å; V163-D166 VanDerWaalsContact O-CB 3.29Å; V163-D166 WeakPolarHBondContact O-CB 3.18Å; V163-D166 PolarHBondContact O-N 3.15Å; V163-D166 VanDerWaalsContact O-N 3.14Å; V163-I169 HydrophobicContact CG2-CG1 4.13Å; V163-L254 HydrophobicContact CG1-CD2 4.2Å
164	L	95	Very high	92.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.5	178.3	-55.8	179.3	0	0	0	113.4	V115 A160 S161 A162 I169 T170 V177 W179 L231 I233	V115-L164 HydrophobicContact CB-CD1 4.47Å; V115-L164 HydrophobicContact CG1-CD1 3.87Å; V115-L164 HydrophobicContact CG2-CD1 3.69Å; A160-L164 WeakPolarHBondContact O-CG 3.42Å; S161-L164 PolarHBondContact O-N 3.16Å; A162-L164 PolarHBondContact O-N 2.72Å; L164-I169 HydrophobicContact CD2-CG2 4.05Å; L164-T170 WeakPolarHBondContact O-CB 3.38Å; L164-T170 PolarHBondContact O-OG1 3.39Å; L164-V177 HydrophobicContact CD2-CG1 4.23Å; L164-W179 HydrophobicContact CD1-CE3 4.27Å; L164-W179 HydrophobicContact CD1-CZ3 4.29Å; L164-L231 HydrophobicContact CD2-CD2 3.74Å; L164-I233 HydrophobicContact CD1-CD1 3.83Å; L164-I233 HydrophobicContact CD1-CG1 4.17Å
165	A	90.4	Very high	92.6	Very high	53 Å²	53	25.7 Å²	25.7	44%	0.438	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-8	172.9	0	0	0	0	0	112.8	A162 V163	A162-A165 WeakPolarHBondContact O-CB 3.25Å; A162-A165 PolarHBondContact O-N 3.16Å; A162-A165 VanDerWaalsContact O-N 3.16Å; V163-A165 PolarHBondContact O-N 3.35Å
166	D	90.3	Very high	92.5	Very high	42 Å²	42	30 Å²	30	23%	0.225	17%	0.169	C	C	.	.	S	Bend	trans	-78.3	121.6	175.8	-168.1	-40.1	0	0	0	110.4	K133 V163 E168 I169 T170	K133-D166 WeakPolarHBondContact CD-OD2 3.4Å; K133-D166 VanDerWaalsContact CE-OD2 3.31Å; K133-D166 WeakPolarHBondContact CE-OD2 3.41Å; K133-D166 IonicContact NZ-OD1 3.64Å; K133-D166 IonicContact NZ-OD2 3.4Å; K133-D166 PolarHBondContact NZ-OD2 2.92Å; V163-D166 VanDerWaalsContact O-CB 3.29Å; V163-D166 WeakPolarHBondContact O-CB 3.18Å; V163-D166 PolarHBondContact O-N 3.15Å; V163-D166 VanDerWaalsContact O-N 3.14Å; D166-E168 PolarHBondContact O-N 3.45Å; D166-E168 WeakPolarHBondContact OD1-CB 3.23Å; D166-E168 PolarHBondContact OD1-N 3.49Å; D166-I169 HydrophobicContact CB-CB 4.27Å; D166-I169 HydrophobicContact CB-CG1 4.09Å; D166-I169 PolarHBondContact O-N 3.43Å; D166-T170 PolarHBondContact O-N 3.25Å
167	P	88.3	Confident	92.3	Very high	59 Å²	59	29.5 Å²	29.5	38%	0.383	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.5	177.8	-20.1	30.5	0	0	0	114.7	L106 T170 K172	L106-P167 HydrophobicContact CD1-CB 3.83Å; L106-P167 HydrophobicContact CD1-CG 3.66Å; P167-T170 CarbonylContact C-O 3.11Å; P167-T170 VanDerWaalsContact C-O 3.24Å; P167-T170 VanDerWaalsContact CA-O 3.29Å; P167-T170 WeakPolarHBondContact CA-O 3.25Å; P167-K172 PolarHBondContact O-N 2.96Å
168	E	89.3	Confident	92.3	Very high	76 Å²	76	28.4 Å²	28.4	36%	0.355	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-25.5	175.4	-60.8	-158	107.6	0	0	112.3	K133 F137 D166 K172 L173	K133-E168 VanDerWaalsContact CE-OE2 3.26Å; K133-E168 WeakPolarHBondContact CE-OE2 3.28Å; K133-E168 IonicContact NZ-OE2 3.1Å; K133-E168 PolarHBondContact NZ-OE2 3.45Å; F137-E168 HydrophobicContact CZ-CB 4.03Å; D166-E168 PolarHBondContact O-N 3.45Å; D166-E168 WeakPolarHBondContact OD1-CB 3.23Å; D166-E168 PolarHBondContact OD1-N 3.49Å; E168-K172 HydrophobicContact CB-CD 4.45Å; E168-K172 IonicContact OE1-NZ 2.93Å; E168-K172 PolarHBondContact OE1-NZ 2.95Å; E168-L173 WeakPolarHBondContact O-CB 3.36Å; E168-L173 PolarHBondContact O-N 3.38Å; E168-L173 VanDerWaalsContact O-N 3.15Å
169	I	92.5	Very high	92.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-62.9	175	-64.9	-59.5	0	0	0	109.5	K133 L136 F137 V163 L164 D166 L173 F174	K133-I169 HydrophobicContact CB-CD1 4.42Å; K133-I169 HydrophobicContact CG-CD1 3.89Å; K133-I169 HydrophobicContact CG-CG1 4.2Å; L136-I169 HydrophobicContact CB-CD1 4.06Å; L136-I169 HydrophobicContact CD1-CD1 3.91Å; L136-I169 HydrophobicContact CD1-CG1 4.48Å; L136-I169 HydrophobicContact CD1-CG2 4.06Å; F137-I169 HydrophobicContact CD2-CD1 4.38Å; F137-I169 HydrophobicContact CE2-CD1 3.91Å; F137-I169 HydrophobicContact CZ-CD1 4.42Å; V163-I169 HydrophobicContact CG2-CG1 4.13Å; L164-I169 HydrophobicContact CD2-CG2 4.05Å; D166-I169 HydrophobicContact CB-CB 4.27Å; D166-I169 HydrophobicContact CB-CG1 4.09Å; D166-I169 PolarHBondContact O-N 3.43Å; I169-L173 HydrophobicContact CD1-CD2 4.15Å; I169-L173 WeakPolarHBondContact O-CB 3.29Å; I169-L173 PolarHBondContact O-N 2.95Å; I169-F174 HydrophobicContact CG2-CD2 4.2Å; I169-F174 PolarHBondContact O-N 2.99Å
170	T	88.3	Confident	92.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-91.4	125.4	177.3	-52.3	0	0	0	0	107.9	L106 L109 L164 D166 P167 V177	L106-T170 HydrophobicContact CD2-CG2 3.88Å; L106-T170 WeakPolarHBondContact CD2-O 3.23Å; L109-T170 HydrophobicContact CB-CG2 3.96Å; L109-T170 HydrophobicContact CD1-CG2 3.62Å; L109-T170 HydrophobicContact CG-CG2 4.44Å; L164-T170 WeakPolarHBondContact O-CB 3.38Å; L164-T170 PolarHBondContact O-OG1 3.39Å; D166-T170 PolarHBondContact O-N 3.25Å; P167-T170 CarbonylContact C-O 3.11Å; P167-T170 VanDerWaalsContact C-O 3.24Å; P167-T170 VanDerWaalsContact CA-O 3.29Å; P167-T170 WeakPolarHBondContact CA-O 3.25Å; T170-V177 HydrophobicContact CG2-CG1 4.45Å
171	G	80.9	Confident	92.1	Very high	31 Å²	31	30.5 Å²	30.5	32%	0.32	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	-28.5	179.3	0	0	0	0	0	114.9	F174	G171-F174 PolarHBondContact N-O 2.91Å
172	K	84.4	Confident	91.9	Very high	85 Å²	85	30.2 Å²	30.2	37%	0.37	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-61.1	172.7	-179.6	179.6	175.1	-178.7	0	112	P167 E168	P167-K172 PolarHBondContact O-N 2.96Å; E168-K172 HydrophobicContact CB-CD 4.45Å; E168-K172 IonicContact OE1-NZ 2.93Å; E168-K172 PolarHBondContact OE1-NZ 2.95Å
173	L	90.4	Very high	91.5	Very high	20 Å²	20	30.3 Å²	30.3	11%	0.105	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-42.2	179.8	-173.6	61.7	0	0	0	111.9	L136 F137 E168 I169	L136-L173 HydrophobicContact CB-CD2 4.17Å; F137-L173 HydrophobicContact CD1-CD1 4.42Å; F137-L173 HydrophobicContact CD1-CD2 4.15Å; F137-L173 HydrophobicContact CE1-CB 4.49Å; F137-L173 HydrophobicContact CE1-CD1 4.46Å; F137-L173 HydrophobicContact CE1-CD2 4.23Å; F137-L173 HydrophobicContact CG-CD2 4.46Å; E168-L173 WeakPolarHBondContact O-CB 3.36Å; E168-L173 PolarHBondContact O-N 3.38Å; E168-L173 VanDerWaalsContact O-N 3.15Å; I169-L173 HydrophobicContact CD1-CD2 4.15Å; I169-L173 WeakPolarHBondContact O-CB 3.29Å; I169-L173 PolarHBondContact O-N 2.95Å
174	F	92.2	Very high	91	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-125.1	127.7	-179.7	-58.3	-72.8	0	0	0	112.3	L136 I169 G171 R229 L231 R252	L136-F174 HydrophobicContact CD2-CE2 4.18Å; L136-F174 HydrophobicContact CD2-CZ 4.44Å; I169-F174 HydrophobicContact CG2-CD2 4.2Å; I169-F174 PolarHBondContact O-N 2.99Å; G171-F174 PolarHBondContact N-O 2.91Å; F174-R229 CarbonylContact C-O 3.54Å; F174-R229 WeakPolarHBondContact CA-O 3.29Å; F174-R229 WeakPolarHBondContact CB-O 3.5Å; F174-L231 HydrophobicContact CB-CB 4.22Å; F174-L231 HydrophobicContact CD1-CB 3.63Å; F174-L231 HydrophobicContact CD2-CB 3.94Å; F174-L231 HydrophobicContact CD2-CD2 3.94Å; F174-L231 HydrophobicContact CD2-CG 4.43Å; F174-L231 HydrophobicContact CE1-CB 3.85Å; F174-L231 HydrophobicContact CE1-CD1 4.18Å; F174-L231 HydrophobicContact CE2-CB 4.16Å; F174-L231 HydrophobicContact CE2-CD1 4.16Å; F174-L231 HydrophobicContact CE2-CD2 3.88Å; F174-L231 HydrophobicContact CE2-CG 4.3Å; F174-L231 HydrophobicContact CG-CB 3.66Å; F174-L231 HydrophobicContact CZ-CB 4.13Å; F174-L231 HydrophobicContact CZ-CD1 3.85Å; F174-L231 HydrophobicContact CZ-CD2 4.41Å; F174-L231 HydrophobicContact CZ-CG 4.36Å; F174-R252 HydrophobicContact CE1-CB 3.85Å; F174-R252 HydrophobicContact CE1-CG 4.4Å; F174-R252 HydrophobicContact CZ-CB 4.21Å
175	D	88.9	Confident	90.4	Very high	29 Å²	29	42.7 Å²	42.7	16%	0.155	23%	0.225	C	C	.	.	S	Bend	trans	-82.9	-19.9	176.1	-66.3	-39.2	0	0	0	112.2	S8 L109 R229	S8-D175 WeakPolarHBondContact CB-OD2 3.39Å; S8-D175 PolarHBondContact OG-OD2 2.95Å; L109-D175 VanDerWaalsContact CD2-O 3.23Å; L109-D175 WeakPolarHBondContact CD2-O 3.35Å; D175-R229 HydrophobicContact CB-CB 4.27Å; D175-R229 VanDerWaalsContact CG-NH2 3.3Å; D175-R229 PolarHBondContact N-O 3.29Å; D175-R229 IonicContact OD1-CZ 3.83Å; D175-R229 IonicContact OD1-NE 2.67Å; D175-R229 IonicContact OD1-NH2 3.61Å; D175-R229 PolarHBondContact OD1-NH2 3.11Å; D175-R229 IonicContact OD2-CZ 2.69Å; D175-R229 VanDerWaalsContact OD2-CZ 3.26Å; D175-R229 IonicContact OD2-NE 3.77Å; D175-R229 PolarHBondContact OD2-NE 3Å; D175-R229 IonicContact OD2-NH2 2.75Å; D175-R229 PolarHBondContact OD2-NH2 2.91Å
176	R	92.2	Very high	90.1	Very high	108 Å²	108	40.8 Å²	40.8	41%	0.408	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.9	-176.6	-63.7	-67.6	-178	-99	1.3	110.8	Y178 Y227 R229 T230 L231	R176-Y178 HydrophobicContact CB-CE2 4.03Å; R176-Y227 HydrophobicContact CG-CD1 4.33Å; R176-R229 PolarHBondContact N-O 3.41Å; R176-T230 HydrophobicContact CB-CG2 4.36Å; R176-T230 WeakPolarHBondContact O-CA 3.35Å; R176-L231 PolarHBondContact O-N 3.15Å
177	V	95.1	Very high	90	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.3	175.1	-60.4	0	0	0	0	108.9	G113 V115 L164 T170 L231 I233	G113-V177 WeakPolarHBondContact CA-O 3.02Å; V115-V177 HydrophobicContact CG2-CG2 3.78Å; L164-V177 HydrophobicContact CD2-CG1 4.23Å; T170-V177 HydrophobicContact CG2-CG1 4.45Å; V177-L231 CarbonylContact C-O 3.39Å; V177-L231 VanDerWaalsContact CA-O 3.29Å; V177-L231 WeakPolarHBondContact CA-O 3.41Å; V177-L231 HydrophobicContact CG1-CB 4.32Å; V177-I233 HydrophobicContact CB-CD1 4.04Å
178	Y	96.2	Very high	90.1	Very high	18 Å²	18	48.3 Å²	48.3	7%	0.071	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	116.3	175.1	-68.4	-86.7	0	0	0	110.6	R176 L198 K201 M202 T230 L231 I233	R176-Y178 HydrophobicContact CB-CE2 4.03Å; Y178-L198 HydrophobicContact CD1-CD1 3.82Å; Y178-L198 HydrophobicContact CD2-CD1 4.12Å; Y178-L198 HydrophobicContact CE1-CD1 4.44Å; Y178-L198 HydrophobicContact CG-CD1 3.62Å; Y178-K201 HydrophobicContact CD1-CD 4.06Å; Y178-K201 HydrophobicContact CE1-CB 4.06Å; Y178-K201 HydrophobicContact CE1-CD 4.02Å; Y178-M202 HydrophobicContact CD2-CE 3.51Å; Y178-M202 HydrophobicContact CE1-CE 4.3Å; Y178-M202 HydrophobicContact CE2-CE 3.2Å; Y178-M202 HydrophobicContact CG-CE 4.19Å; Y178-T230 HydrophobicContact CD2-CG2 3.59Å; Y178-T230 HydrophobicContact CE2-CG2 3.83Å; Y178-L231 PolarHBondContact N-O 3.1Å; Y178-I233 PolarHBondContact O-N 2.78Å
179	W	97.4	Very high	90.3	Very high	13 Å²	13	50.7 Å²	50.7	5%	0.049	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.3	178.5	-165.7	-75.1	0	0	0	111.6	G113 V115 P116 S157 A160 L164 I233 D235	G113-W179 VanDerWaalsContact O-CB 3.3Å; G113-W179 WeakPolarHBondContact O-CB 3.19Å; G113-W179 PolarHBondContact O-N 2.8Å; V115-W179 HydrophobicContact CG1-CE3 4.25Å; V115-W179 HydrophobicContact CG1-CZ3 4.47Å; P116-W179 VanDerWaalsContact CD-CE2 3.48Å; P116-W179 HydrophobicContact CG-CD2 4.05Å; P116-W179 HydrophobicContact CG-CG 4.44Å; P116-W179 HydrophobicContact CG-CH2 4.44Å; P116-W179 HydrophobicContact CG-CZ2 3.85Å; S157-W179 WeakPolarHBondContact O-CH2 3.23Å; A160-W179 HydrophobicContact CB-CH2 3.91Å; A160-W179 HydrophobicContact CB-CZ3 4.26Å; L164-W179 HydrophobicContact CD1-CE3 4.27Å; L164-W179 HydrophobicContact CD1-CZ3 4.29Å; W179-I233 HydrophobicContact CD2-CB 4.12Å; W179-I233 HydrophobicContact CD2-CG2 3.86Å; W179-I233 HydrophobicContact CE3-CB 3.78Å; W179-I233 HydrophobicContact CE3-CD1 4.43Å; W179-I233 HydrophobicContact CE3-CG1 4.02Å; W179-I233 HydrophobicContact CE3-CG2 3.54Å; W179-I233 HydrophobicContact CH2-CG2 3.98Å; W179-I233 HydrophobicContact CZ2-CG2 4.28Å; W179-I233 HydrophobicContact CZ3-CB 4.27Å; W179-I233 HydrophobicContact CZ3-CG1 4.36Å; W179-I233 HydrophobicContact CZ3-CG2 3.61Å; W179-D235 HydrophobicContact CZ2-CB 3.71Å; W179-D235 VanDerWaalsContact CZ2-CG 3.49Å; W179-D235 WeakPolarHBondContact CZ2-OD2 3.43Å
180	I	96.6	Very high	90.3	Very high	9 Å²	9	54.9 Å²	54.9	5%	0.046	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.2	-179.2	-56.7	176.3	0	0	0	108.4	T194 L198 I232 I233 L234 D235 Y246	I180-T194 HydrophobicContact CG2-CG2 3.8Å; I180-L198 HydrophobicContact CD1-CD1 4.45Å; I180-L198 HydrophobicContact CD1-CD2 4.34Å; I180-I232 HydrophobicContact CD1-CG2 3.96Å; I180-I233 PolarHBondContact N-O 2.96Å; I180-L234 HydrophobicContact CB-CD2 3.94Å; I180-L234 HydrophobicContact CD1-CD2 4.33Å; I180-L234 HydrophobicContact CG2-CD2 4.16Å; I180-D235 PolarHBondContact O-N 2.95Å; I180-Y246 HydrophobicContact CD1-CE1 3.76Å; I180-Y246 WeakPolarHBondContact CD1-OH 3.13Å
181	V	95.4	Very high	90.6	Very high	75 Å²	75	55.1 Å²	55.1	46%	0.455	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	104.6	176.5	-178.3	0	0	0	0	109	R190	V181-R190 PolarHBondContact O-NH2 2.86Å
182	A	92.2	Very high	91.3	Very high	2 Å²	2	55 Å²	55	2%	0.017	26%	0.262	C	S	.	.			trans	-69.5	-62.8	175.8	0	0	0	0	0	109.7	C186 R190 D235 V237 V242	A182-C186 HydrophobicContact CB-CB 4.49Å; A182-C186 WeakPolarHBondContact O-CB 3.47Å; A182-R190 PolarHBondContact O-NE 2.86Å; A182-R190 PolarHBondContact O-NH2 3.15Å; A182-D235 PolarHBondContact N-O 2.87Å; A182-V237 HydrophobicContact CB-CG2 4.33Å; A182-V242 HydrophobicContact CB-CG1 4.32Å
183	G	89.1	Confident	91.8	Very high	8 Å²	8	53.8 Å²	53.8	8%	0.082	27%	0.267	C	S	.	.			trans	68.6	173.3	179.7	0	0	0	0	0	114.2	H185 C186 D236	G183-H185 VanDerWaalsContact C-N 3.32Å; G183-H185 PolarHBondContact O-N 3.49Å; G183-C186 WeakPolarHBondContact O-CB 3.29Å; G183-C186 PolarHBondContact O-N 3.16Å; G183-D236 VanDerWaalsContact CA-O 3.28Å; G183-D236 WeakPolarHBondContact CA-O 3.27Å; G183-D236 PolarHBondContact N-O 3.14Å
184	Q	86.4	Confident	92	Very high	117 Å²	117	54 Å²	54	55%	0.547	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.1	-172.3	-171.4	173.5	17.3	0	0	114.6	C186 W238	Q184-C186 VanDerWaalsContact C-N 3.32Å; Q184-C186 PolarHBondContact O-N 3.16Å; Q184-W238 VanDerWaalsContact CA-CD1 3.45Å; Q184-W238 HydrophobicContact CB-CD2 3.85Å; Q184-W238 HydrophobicContact CB-CE3 4.35Å; Q184-W238 HydrophobicContact CB-CG 4.07Å; Q184-W238 HydrophobicContact CB-CZ2 4.12Å; Q184-W238 HydrophobicContact CG-CD2 3.79Å; Q184-W238 HydrophobicContact CG-CE3 3.77Å; Q184-W238 HydrophobicContact CG-CG 4.31Å; Q184-W238 HydrophobicContact CG-CH2 4.21Å; Q184-W238 HydrophobicContact CG-CZ2 4.24Å; Q184-W238 HydrophobicContact CG-CZ3 3.99Å; Q184-W238 VanDerWaalsContact N-CD1 3.34Å
185	H	82.6	Confident	92.2	Very high	147 Å²	147	54 Å²	54	68%	0.681	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	34.7	-176.6	-55	-61.7	0	0	0	112	G183 D187 R190	G183-H185 VanDerWaalsContact C-N 3.32Å; G183-H185 PolarHBondContact O-N 3.49Å; H185-D187 PolarHBondContact O-N 2.66Å; H185-R190 WeakPolarHBondContact O-CD 3.35Å
186	C	82.4	Confident	92.5	Very high	13 Å²	13	53.5 Å²	53.5	9%	0.088	27%	0.266	C	S	.	.			trans	-86.9	94.9	176.3	-151.1	0	0	0	0	110	A182 G183 Q184 V242	A182-C186 HydrophobicContact CB-CB 4.49Å; A182-C186 WeakPolarHBondContact O-CB 3.47Å; G183-C186 WeakPolarHBondContact O-CB 3.29Å; G183-C186 PolarHBondContact O-N 3.16Å; Q184-C186 VanDerWaalsContact C-N 3.32Å; Q184-C186 PolarHBondContact O-N 3.16Å; C186-V242 HydrophobicContact CB-CG2 3.88Å
187	D	88.4	Confident	92.6	Very high	92 Å²	92	51.6 Å²	51.6	49%	0.492	26%	0.264	S	S	.	.			trans	-90.4	-174	169.2	61.1	13.1	0	0	0	111	H185 D189 R190 T191	H185-D187 PolarHBondContact O-N 2.66Å; D187-D189 VanDerWaalsContact C-N 3.33Å; D187-D189 PolarHBondContact O-N 3.47Å; D187-D189 PolarHBondContact OD1-N 2.81Å; D187-R190 PolarHBondContact O-N 3.07Å; D187-R190 VanDerWaalsContact OD1-CB 3.3Å; D187-R190 WeakPolarHBondContact OD1-CB 3.38Å; D187-R190 PolarHBondContact OD1-N 2.83Å; D187-T191 WeakPolarHBondContact O-CB 3.34Å; D187-T191 PolarHBondContact O-N 3.33Å; D187-T191 PolarHBondContact O-OG1 3.06Å
188	K	91.7	Very high	92.5	Very high	167 Å²	167	51.5 Å²	51.5	73%	0.726	26%	0.264	S	S	*	.	H	α-helix	trans	-61.5	-40.3	179.8	-69.9	-175.9	172.8	-177.5	0	112.3	T191 L192 I212	K188-T191 WeakPolarHBondContact O-CB 3.33Å; K188-T191 PolarHBondContact O-N 2.83Å; K188-L192 WeakPolarHBondContact O-CB 3.44Å; K188-L192 PolarHBondContact O-N 2.81Å; K188-I212 HydrophobicContact CB-CD1 4.22Å; K188-I212 HydrophobicContact CG-CD1 4.4Å
189	D	92.8	Very high	92.4	Very high	126 Å²	126	51 Å²	51	67%	0.674	26%	0.262	S	S	*	.	H	α-helix	trans	-68.5	-42.9	-178.3	-66.4	-18	0	0	0	110.9	D187 T191 L192 A193	D187-D189 VanDerWaalsContact C-N 3.33Å; D187-D189 PolarHBondContact O-N 3.47Å; D187-D189 PolarHBondContact OD1-N 2.81Å; D189-T191 VanDerWaalsContact C-N 3.35Å; D189-L192 PolarHBondContact O-N 2.81Å; D189-A193 WeakPolarHBondContact O-CB 3.48Å; D189-A193 PolarHBondContact O-N 3.48Å
190	R	93	Very high	92.2	Very high	89 Å²	89	53.2 Å²	53.2	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-66	-38.1	173.7	-175.6	167.6	170.8	-176.9	-1.5	112	V181 A182 H185 D187 A193 T194	V181-R190 PolarHBondContact O-NH2 2.86Å; A182-R190 PolarHBondContact O-NE 2.86Å; A182-R190 PolarHBondContact O-NH2 3.15Å; H185-R190 WeakPolarHBondContact O-CD 3.35Å; D187-R190 PolarHBondContact O-N 3.07Å; D187-R190 VanDerWaalsContact OD1-CB 3.3Å; D187-R190 WeakPolarHBondContact OD1-CB 3.38Å; D187-R190 PolarHBondContact OD1-N 2.83Å; R190-A193 PolarHBondContact O-N 3.18Å; R190-T194 WeakPolarHBondContact O-CG2 3.38Å; R190-T194 PolarHBondContact O-N 2.94Å; R190-T194 PolarHBondContact O-OG1 3.44Å
191	T	95.2	Very high	91.8	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-51	174.6	-57.5	0	0	0	0	110.2	D187 K188 D189 A193 T194 M195 I212 V242 A245 Y246	D187-T191 WeakPolarHBondContact O-CB 3.34Å; D187-T191 PolarHBondContact O-N 3.33Å; D187-T191 PolarHBondContact O-OG1 3.06Å; K188-T191 WeakPolarHBondContact O-CB 3.33Å; K188-T191 PolarHBondContact O-N 2.83Å; D189-T191 VanDerWaalsContact C-N 3.35Å; T191-A193 VanDerWaalsContact C-N 3.32Å; T191-A193 PolarHBondContact O-N 3.44Å; T191-T194 PolarHBondContact O-N 3.13Å; T191-T194 VanDerWaalsContact O-N 3.11Å; T191-T194 PolarHBondContact O-OG1 2.57Å; T191-M195 HydrophobicContact CG2-SD 4.27Å; T191-M195 WeakPolarHBondContact O-CG 3.4Å; T191-M195 PolarHBondContact O-N 2.93Å; T191-I212 HydrophobicContact CG2-CD1 4.11Å; T191-V242 WeakPolarHBondContact OG1-CG2 3.37Å; T191-A245 HydrophobicContact CG2-CB 3.69Å; T191-Y246 HydrophobicContact CG2-CE2 4.24Å
192	L	95.9	Very high	91.5	Very high	30 Å²	30	52.5 Å²	52.5	16%	0.157	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-43.2	175	179.7	57.3	0	0	0	111.9	K188 D189 T194 M195 Q196 L209 S211 I212 A215	K188-L192 WeakPolarHBondContact O-CB 3.44Å; K188-L192 PolarHBondContact O-N 2.81Å; D189-L192 PolarHBondContact O-N 2.81Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 3.16Å; L192-M195 PolarHBondContact O-N 3.1Å; L192-Q196 WeakPolarHBondContact O-CB 3.39Å; L192-Q196 PolarHBondContact O-N 3.18Å; L192-L209 HydrophobicContact CD1-CB 4.08Å; L192-S211 VanDerWaalsContact CD1-C 3.49Å; L192-S211 WeakPolarHBondContact CD1-O 3.03Å; L192-I212 HydrophobicContact CB-CG1 4.2Å; L192-A215 HydrophobicContact CD1-CB 3.98Å
193	A	94.7	Very high	91.2	Very high	58 Å²	58	53.5 Å²	53.5	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-38.1	177	0	0	0	0	0	112.7	D189 R190 T191 Q196 D197	D189-A193 WeakPolarHBondContact O-CB 3.48Å; D189-A193 PolarHBondContact O-N 3.48Å; R190-A193 PolarHBondContact O-N 3.18Å; T191-A193 VanDerWaalsContact C-N 3.32Å; T191-A193 PolarHBondContact O-N 3.44Å; A193-Q196 WeakPolarHBondContact O-CB 3.32Å; A193-Q196 PolarHBondContact O-N 2.99Å; A193-D197 PolarHBondContact O-N 2.85Å
194	T	94.8	Very high	90.6	Very high	24 Å²	24	63 Å²	63	15%	0.147	32%	0.316	C	S	.	.	H	α-helix	trans	-69.1	-37.6	175.3	58.6	0	0	0	0	112.6	I180 R190 T191 L192 Q196 D197 L198 Y246	I180-T194 HydrophobicContact CG2-CG2 3.8Å; R190-T194 WeakPolarHBondContact O-CG2 3.38Å; R190-T194 PolarHBondContact O-N 2.94Å; R190-T194 PolarHBondContact O-OG1 3.44Å; T191-T194 PolarHBondContact O-N 3.13Å; T191-T194 VanDerWaalsContact O-N 3.11Å; T191-T194 PolarHBondContact O-OG1 2.57Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 3.16Å; T194-Q196 VanDerWaalsContact C-N 3.35Å; T194-D197 PolarHBondContact O-N 3.38Å; T194-L198 PolarHBondContact O-N 3.29Å; T194-Y246 WeakPolarHBondContact CB-OH 3.29Å; T194-Y246 PolarHBondContact OG1-OH 3.5Å
195	M	95.5	Very high	90.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68	-36.1	173.8	-65.3	175	83.9	0	0	111.4	T191 L192 L198 Y199 I212 A215 L219 A245 Y246 L249	T191-M195 HydrophobicContact CG2-SD 4.27Å; T191-M195 WeakPolarHBondContact O-CG 3.4Å; T191-M195 PolarHBondContact O-N 2.93Å; L192-M195 PolarHBondContact O-N 3.1Å; M195-L198 WeakPolarHBondContact O-CB 3.32Å; M195-L198 PolarHBondContact O-N 2.9Å; M195-Y199 WeakPolarHBondContact O-CB 3.31Å; M195-Y199 PolarHBondContact O-N 3.06Å; M195-I212 HydrophobicContact CE-CG2 4.47Å; M195-I212 HydrophobicContact SD-CG2 4.03Å; M195-A215 HydrophobicContact CB-CB 3.92Å; M195-A215 HydrophobicContact CE-CB 3.73Å; M195-A215 HydrophobicContact SD-CB 4.04Å; M195-L219 HydrophobicContact CB-CD1 3.87Å; M195-L219 HydrophobicContact CE-CD1 3.97Å; M195-L219 HydrophobicContact CG-CD1 4.3Å; M195-A245 HydrophobicContact SD-CB 4.5Å; M195-Y246 HydrophobicContact CG-CE2 4.34Å; M195-L249 HydrophobicContact CE-CD2 3.86Å; M195-L249 HydrophobicContact CE-CG 4.46Å
196	Q	95.1	Very high	90.1	Very high	19 Å²	19	61.3 Å²	61.3	9%	0.089	33%	0.326	C	S	.	.	H	α-helix	trans	-61.9	-47.1	171.2	-179.6	67.6	59.1	0	0	111.9	L192 A193 T194 L198 Y199 S200 Y207 L209	L192-Q196 WeakPolarHBondContact O-CB 3.39Å; L192-Q196 PolarHBondContact O-N 3.18Å; A193-Q196 WeakPolarHBondContact O-CB 3.32Å; A193-Q196 PolarHBondContact O-N 2.99Å; T194-Q196 VanDerWaalsContact C-N 3.35Å; Q196-L198 PolarHBondContact O-N 3.23Å; Q196-Y199 PolarHBondContact O-N 3.12Å; Q196-S200 PolarHBondContact NE2-OG 2.84Å; Q196-S200 WeakPolarHBondContact O-CB 3.46Å; Q196-S200 PolarHBondContact O-N 3.45Å; Q196-S200 PolarHBondContact O-OG 2.9Å; Q196-Y207 PolarHBondContact NE2-O 3.34Å; Q196-L209 HydrophobicContact CB-CD1 4.36Å; Q196-L209 VanDerWaalsContact OE1-CB 3.31Å; Q196-L209 VanDerWaalsContact OE1-CG 3.26Å
197	D	93.4	Very high	90.4	Very high	69 Å²	69	65.2 Å²	65.2	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-35.7	175.6	-177.6	52.2	0	0	0	111.3	K114 A193 T194 K201	K114-D197 IonicContact NZ-OD1 3Å; K114-D197 IonicContact NZ-OD2 3.94Å; K114-D197 PolarHBondContact NZ-OD2 2.85Å; A193-D197 PolarHBondContact O-N 2.85Å; T194-D197 PolarHBondContact O-N 3.38Å; D197-K201 WeakPolarHBondContact O-CD 3.21Å; D197-K201 VanDerWaalsContact O-CG 3.26Å; D197-K201 WeakPolarHBondContact O-CG 3.28Å; D197-K201 PolarHBondContact O-N 2.79Å; D197-K201 WeakPolarHBondContact OD1-CE 3.37Å; D197-K201 IonicContact OD1-NZ 3.95Å; D197-K201 WeakPolarHBondContact OD2-CE 3.37Å; D197-K201 IonicContact OD2-NZ 2.72Å; D197-K201 PolarHBondContact OD2-NZ 3.47Å
198	L	94.1	Very high	90.6	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-65.7	-50.2	173.9	-172.7	64.3	0	0	0	111.5	Y178 I180 T194 M195 Q196 S200 K201 M202 L219 I232 L249	Y178-L198 HydrophobicContact CD1-CD1 3.82Å; Y178-L198 HydrophobicContact CD2-CD1 4.12Å; Y178-L198 HydrophobicContact CE1-CD1 4.44Å; Y178-L198 HydrophobicContact CG-CD1 3.62Å; I180-L198 HydrophobicContact CD1-CD1 4.45Å; I180-L198 HydrophobicContact CD1-CD2 4.34Å; T194-L198 PolarHBondContact O-N 3.29Å; M195-L198 WeakPolarHBondContact O-CB 3.32Å; M195-L198 PolarHBondContact O-N 2.9Å; Q196-L198 PolarHBondContact O-N 3.23Å; L198-S200 PolarHBondContact O-N 2.95Å; L198-K201 PolarHBondContact O-N 3.08Å; L198-M202 HydrophobicContact CD1-CE 3.46Å; L198-M202 VanDerWaalsContact CD1-CE 3.46Å; L198-M202 HydrophobicContact CD1-SD 4.34Å; L198-M202 HydrophobicContact CD2-CE 4.43Å; L198-M202 HydrophobicContact CG-CE 3.88Å; L198-M202 HydrophobicContact CG-SD 4.19Å; L198-M202 WeakPolarHBondContact O-CG 3.34Å; L198-M202 PolarHBondContact O-N 2.87Å; L198-L219 HydrophobicContact CB-CD2 4.32Å; L198-L219 HydrophobicContact CD2-CD1 4.18Å; L198-L219 HydrophobicContact CD2-CD2 3.97Å; L198-L219 HydrophobicContact CG-CD2 3.94Å; L198-I232 HydrophobicContact CD2-CD1 3.67Å; L198-L249 HydrophobicContact CD2-CD1 4.45Å
199	Y	94.2	Very high	90.7	Very high	8 Å²	8	59.5 Å²	59.5	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-46	-179.8	-179.7	-99.2	0	0	0	111.6	M195 Q196 K201 M202 S203 L209 R218 L219 V222	M195-Y199 WeakPolarHBondContact O-CB 3.31Å; M195-Y199 PolarHBondContact O-N 3.06Å; Q196-Y199 PolarHBondContact O-N 3.12Å; Y199-K201 PolarHBondContact O-N 3.01Å; Y199-M202 PolarHBondContact O-N 3.22Å; Y199-S203 PolarHBondContact O-N 3.18Å; Y199-S203 PolarHBondContact OH-OG 3.24Å; Y199-L209 HydrophobicContact CD1-CD1 4.45Å; Y199-L209 HydrophobicContact CG-CD1 4.15Å; Y199-R218 HydrophobicContact CD2-CB 4.26Å; Y199-R218 HydrophobicContact CE2-CB 3.91Å; Y199-L219 HydrophobicContact CD2-CD2 4.27Å; Y199-L219 HydrophobicContact CD2-CG 4.48Å; Y199-V222 HydrophobicContact CE2-CG2 4.14Å
200	S	91.9	Very high	90.7	Very high	60 Å²	60	57.9 Å²	57.9	42%	0.42	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-20.2	179.1	-65.1	0	0	0	0	114	Q196 L198	Q196-S200 PolarHBondContact NE2-OG 2.84Å; Q196-S200 WeakPolarHBondContact O-CB 3.46Å; Q196-S200 PolarHBondContact O-N 3.45Å; Q196-S200 PolarHBondContact O-OG 2.9Å; L198-S200 PolarHBondContact O-N 2.95Å
201	K	89.7	Confident	90.9	Very high	60 Å²	60	55.8 Å²	55.8	26%	0.261	31%	0.31	S	S	.	.	H	α-helix	trans	-81.3	-22.6	171.7	-72.7	169.9	-163.6	156.6	0	113.1	Y178 D197 L198 Y199	Y178-K201 HydrophobicContact CD1-CD 4.06Å; Y178-K201 HydrophobicContact CE1-CB 4.06Å; Y178-K201 HydrophobicContact CE1-CD 4.02Å; D197-K201 WeakPolarHBondContact O-CD 3.21Å; D197-K201 VanDerWaalsContact O-CG 3.26Å; D197-K201 WeakPolarHBondContact O-CG 3.28Å; D197-K201 PolarHBondContact O-N 2.79Å; D197-K201 WeakPolarHBondContact OD1-CE 3.37Å; D197-K201 IonicContact OD1-NZ 3.95Å; D197-K201 WeakPolarHBondContact OD2-CE 3.37Å; D197-K201 IonicContact OD2-NZ 2.72Å; D197-K201 PolarHBondContact OD2-NZ 3.47Å; L198-K201 PolarHBondContact O-N 3.08Å; Y199-K201 PolarHBondContact O-N 3.01Å
202	M	89.5	Confident	90.9	Very high	9 Å²	9	57.4 Å²	57.4	4%	0.044	32%	0.318	C	S	.	.	H	α-helix	trans	-102.4	-40.5	-173.8	-67.4	176.8	175.7	0	0	112.2	Y178 L198 Y199 L219 V222 L223 Y227 T230	Y178-M202 HydrophobicContact CD2-CE 3.51Å; Y178-M202 HydrophobicContact CE1-CE 4.3Å; Y178-M202 HydrophobicContact CE2-CE 3.2Å; Y178-M202 HydrophobicContact CG-CE 4.19Å; L198-M202 HydrophobicContact CD1-CE 3.46Å; L198-M202 VanDerWaalsContact CD1-CE 3.46Å; L198-M202 HydrophobicContact CD1-SD 4.34Å; L198-M202 HydrophobicContact CD2-CE 4.43Å; L198-M202 HydrophobicContact CG-CE 3.88Å; L198-M202 HydrophobicContact CG-SD 4.19Å; L198-M202 WeakPolarHBondContact O-CG 3.34Å; L198-M202 PolarHBondContact O-N 2.87Å; Y199-M202 PolarHBondContact O-N 3.22Å; M202-L219 HydrophobicContact SD-CD2 4.24Å; M202-V222 HydrophobicContact CB-CG1 3.5Å; M202-V222 HydrophobicContact CG-CG1 4.33Å; M202-V222 HydrophobicContact SD-CG1 4.07Å; M202-L223 HydrophobicContact CE-CD2 3.58Å; M202-L223 HydrophobicContact SD-CD2 3.96Å; M202-L223 HydrophobicContact SD-CG 4.37Å; M202-Y227 WeakPolarHBondContact CA-OH 3.47Å; M202-Y227 HydrophobicContact CB-CD2 3.92Å; M202-Y227 HydrophobicContact CB-CE1 4.49Å; M202-Y227 HydrophobicContact CB-CE2 3.49Å; M202-Y227 VanDerWaalsContact CB-CE2 3.49Å; M202-Y227 HydrophobicContact CG-CD1 4.37Å; M202-Y227 HydrophobicContact CG-CD2 4.07Å; M202-Y227 HydrophobicContact CG-CE1 4.29Å; M202-Y227 HydrophobicContact CG-CE2 3.99Å; M202-Y227 HydrophobicContact CG-CG 4.28Å; M202-Y227 VanDerWaalsContact O-CE2 3.22Å; M202-Y227 WeakPolarHBondContact O-CE2 3.46Å; M202-Y227 PolarHBondContact O-OH 3.25Å; M202-Y227 HydrophobicContact SD-CD2 4.38Å; M202-Y227 HydrophobicContact SD-CG 4.5Å; M202-T230 HydrophobicContact CE-CG2 4.22Å
203	S	85.2	Confident	90.8	Very high	23 Å²	23	59.4 Å²	59.4	16%	0.161	33%	0.334	C	S	.	.			trans	-92.1	144.1	176.4	-174	0	0	0	0	110.9	Y199 D205	Y199-S203 PolarHBondContact O-N 3.18Å; Y199-S203 PolarHBondContact OH-OG 3.24Å; S203-D205 PolarHBondContact OG-N 3.36Å; S203-D205 VanDerWaalsContact OG-N 3.15Å
204	K	76.1	Confident	90.9	Very high	208 Å²	208	58.1 Å²	58.1	90%	0.904	32%	0.318	S	S	*	.	S	Bend	trans	-80.6	-10.6	171.1	-66.2	178.4	-176.8	169	0	112.1
205	D	78.5	Confident	90.9	Very high	100 Å²	100	57 Å²	57	54%	0.535	31%	0.311	S	S	.	.	S	Bend	trans	-80.8	132	-176.9	-60.2	-28.6	0	0	0	110.3	S203 Y207	S203-D205 PolarHBondContact OG-N 3.36Å; S203-D205 VanDerWaalsContact OG-N 3.15Å; D205-Y207 PolarHBondContact O-N 3Å
206	S	79.7	Confident	90.9	Very high	128 Å²	128	57.1 Å²	57.1	90%	0.895	31%	0.312	S	S	*	.			trans	-79	45.5	172.5	63.2	0	0	0	0	111.5
207	Y	89.4	Confident	90.8	Very high	94 Å²	94	61.6 Å²	61.6	37%	0.369	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-85.2	130.6	-177.7	-171.4	-90.4	0	0	0	110.6	Q196 D205 L209 E214	Q196-Y207 PolarHBondContact NE2-O 3.34Å; D205-Y207 PolarHBondContact O-N 3Å; Y207-L209 HydrophobicContact CD1-CD2 4.08Å; Y207-L209 HydrophobicContact CE1-CD2 4.27Å; Y207-E214 WeakPolarHBondContact CE1-OE1 3.22Å; Y207-E214 VanDerWaalsContact CZ-OE1 3.32Å; Y207-E214 PolarHBondContact OH-OE1 3.29Å
208	Q	92.6	Very high	90.9	Very high	135 Å²	135	62.2 Å²	62.2	63%	0.631	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-94.3	117.1	177.8	-172.9	65.5	31.5	0	0	109.8
209	L	93.1	Very high	91	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.021	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-71.8	133	177.5	-57.2	169.4	0	0	0	109.7	L192 Q196 Y199 Y207 E214 A215 R218	L192-L209 HydrophobicContact CD1-CB 4.08Å; Q196-L209 HydrophobicContact CB-CD1 4.36Å; Q196-L209 VanDerWaalsContact OE1-CB 3.31Å; Q196-L209 VanDerWaalsContact OE1-CG 3.26Å; Y199-L209 HydrophobicContact CD1-CD1 4.45Å; Y199-L209 HydrophobicContact CG-CD1 4.15Å; Y207-L209 HydrophobicContact CD1-CD2 4.08Å; Y207-L209 HydrophobicContact CE1-CD2 4.27Å; L209-E214 HydrophobicContact CD2-CG 4.27Å; L209-A215 HydrophobicContact CB-CB 4.32Å; L209-A215 HydrophobicContact CD1-CB 3.64Å; L209-A215 HydrophobicContact CG-CB 4.39Å; L209-R218 HydrophobicContact CD2-CB 4.46Å; L209-R218 VanDerWaalsContact CD2-CD 3.5Å
210	S	94	Very high	91	Very high	92 Å²	92	64 Å²	64	64%	0.643	35%	0.346	S	S	*	.			trans	-94.1	-22.1	-174.6	66.5	0	0	0	0	114	E214	S210-E214 WeakPolarHBondContact CB-OE2 3.5Å; S210-E214 PolarHBondContact N-OE2 3.06Å; S210-E214 PolarHBondContact OG-OE2 3.28Å
211	S	96	Very high	91	Very high	46 Å²	46	65.3 Å²	65.3	32%	0.322	35%	0.345	S	S	.	.	S	Bend	trans	-154.8	162.4	-176	67.5	0	0	0	0	111.5	L192 S213 E214 A215	L192-S211 VanDerWaalsContact CD1-C 3.49Å; L192-S211 WeakPolarHBondContact CD1-O 3.03Å; S211-S213 VanDerWaalsContact C-N 3.32Å; S211-S213 PolarHBondContact O-N 3.17Å; S211-E214 PolarHBondContact O-N 3.47Å; S211-E214 WeakPolarHBondContact OG-CB 3.34Å; S211-E214 PolarHBondContact OG-N 2.94Å; S211-E214 VanDerWaalsContact OG-N 3.16Å; S211-A215 WeakPolarHBondContact O-CB 3.44Å; S211-A215 PolarHBondContact O-N 3.39Å
212	I	94.8	Very high	91.1	Very high	37 Å²	37	63.1 Å²	63.1	19%	0.19	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-43	174.8	-66.8	173.8	0	0	0	110.6	K188 T191 L192 M195 E214 A215 S216 A245	K188-I212 HydrophobicContact CB-CD1 4.22Å; K188-I212 HydrophobicContact CG-CD1 4.4Å; T191-I212 HydrophobicContact CG2-CD1 4.11Å; L192-I212 HydrophobicContact CB-CG1 4.2Å; M195-I212 HydrophobicContact CE-CG2 4.47Å; M195-I212 HydrophobicContact SD-CG2 4.03Å; I212-E214 PolarHBondContact O-N 2.88Å; I212-A215 CarbonylContact O-C 3.53Å; I212-A215 WeakPolarHBondContact O-CB 3.45Å; I212-A215 PolarHBondContact O-N 2.65Å; I212-A215 VanDerWaalsContact O-N 3.13Å; I212-S216 PolarHBondContact O-N 3.18Å; I212-S216 PolarHBondContact O-OG 3.2Å; I212-S216 VanDerWaalsContact O-OG 3.06Å; I212-A245 HydrophobicContact CG2-CB 3.66Å
213	S	95.2	Very high	91.3	Very high	72 Å²	72	63.3 Å²	63.3	50%	0.503	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-46	178	175.5	0	0	0	0	112.1	S211 A215 S216 D217	S211-S213 VanDerWaalsContact C-N 3.32Å; S211-S213 PolarHBondContact O-N 3.17Å; S213-A215 VanDerWaalsContact C-N 3.32Å; S213-A215 PolarHBondContact O-N 2.97Å; S213-S216 PolarHBondContact O-N 2.92Å; S213-D217 PolarHBondContact O-N 3.04Å; S213-D217 VanDerWaalsContact O-N 3.07Å
214	E	95.4	Very high	91.6	Very high	31 Å²	31	65.6 Å²	65.6	15%	0.145	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-40.9	175.4	178.3	179.4	-163.2	0	0	111.6	Y207 L209 S210 S211 I212 S216 D217 R218	Y207-E214 WeakPolarHBondContact CE1-OE1 3.22Å; Y207-E214 VanDerWaalsContact CZ-OE1 3.32Å; Y207-E214 PolarHBondContact OH-OE1 3.29Å; L209-E214 HydrophobicContact CD2-CG 4.27Å; S210-E214 WeakPolarHBondContact CB-OE2 3.5Å; S210-E214 PolarHBondContact N-OE2 3.06Å; S210-E214 PolarHBondContact OG-OE2 3.28Å; S211-E214 PolarHBondContact O-N 3.47Å; S211-E214 WeakPolarHBondContact OG-CB 3.34Å; S211-E214 PolarHBondContact OG-N 2.94Å; S211-E214 VanDerWaalsContact OG-N 3.16Å; I212-E214 PolarHBondContact O-N 2.88Å; E214-S216 VanDerWaalsContact C-N 3.31Å; E214-S216 PolarHBondContact O-N 2.96Å; E214-D217 PolarHBondContact O-N 3.17Å; E214-R218 PolarHBondContact O-N 3.1Å; E214-R218 VanDerWaalsContact O-N 3.13Å; E214-R218 IonicContact OE1-CZ 2.8Å; E214-R218 IonicContact OE1-NE 3.73Å; E214-R218 PolarHBondContact OE1-NE 3.29Å; E214-R218 VanDerWaalsContact OE1-NE 3.1Å; E214-R218 IonicContact OE1-NH2 2.78Å
215	A	95.6	Very high	92.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-44.3	177.4	0	0	0	0	0	111.2	L192 M195 L209 S211 I212 S213 L219	L192-A215 HydrophobicContact CD1-CB 3.98Å; M195-A215 HydrophobicContact CB-CB 3.92Å; M195-A215 HydrophobicContact CE-CB 3.73Å; M195-A215 HydrophobicContact SD-CB 4.04Å; L209-A215 HydrophobicContact CB-CB 4.32Å; L209-A215 HydrophobicContact CD1-CB 3.64Å; L209-A215 HydrophobicContact CG-CB 4.39Å; S211-A215 WeakPolarHBondContact O-CB 3.44Å; S211-A215 PolarHBondContact O-N 3.39Å; I212-A215 CarbonylContact O-C 3.53Å; I212-A215 WeakPolarHBondContact O-CB 3.45Å; I212-A215 PolarHBondContact O-N 2.65Å; I212-A215 VanDerWaalsContact O-N 3.13Å; S213-A215 VanDerWaalsContact C-N 3.32Å; S213-A215 PolarHBondContact O-N 2.97Å; A215-L219 WeakPolarHBondContact O-CB 3.43Å; A215-L219 WeakPolarHBondContact O-CD1 3.47Å; A215-L219 VanDerWaalsContact O-CG 3.28Å; A215-L219 WeakPolarHBondContact O-CG 3.36Å; A215-L219 PolarHBondContact O-N 2.8Å
216	S	95.3	Very high	92.9	Very high	3 Å²	3	54 Å²	54	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-57.8	-55.6	176	-61.4	0	0	0	0	111.1	I212 S213 E214 R218 L219 V220 E248	I212-S216 PolarHBondContact O-N 3.18Å; I212-S216 PolarHBondContact O-OG 3.2Å; I212-S216 VanDerWaalsContact O-OG 3.06Å; S213-S216 PolarHBondContact O-N 2.92Å; E214-S216 VanDerWaalsContact C-N 3.31Å; E214-S216 PolarHBondContact O-N 2.96Å; S216-R218 VanDerWaalsContact C-N 3.33Å; S216-R218 PolarHBondContact O-N 3.48Å; S216-L219 PolarHBondContact O-N 3.49Å; S216-V220 VanDerWaalsContact O-CG2 3.23Å; S216-V220 WeakPolarHBondContact O-CG2 3.26Å; S216-V220 PolarHBondContact O-N 3.35Å; S216-E248 WeakPolarHBondContact CB-OE2 3.46Å; S216-E248 PolarHBondContact OG-OE2 3.35Å
217	D	94.1	Very high	93.4	Very high	113 Å²	113	50.5 Å²	50.5	60%	0.604	26%	0.262	S	S	*	.	H	α-helix	trans	-55.8	-46.3	-176.9	-70.4	-19.9	0	0	0	112.3	S213 E214 E221	S213-D217 PolarHBondContact O-N 3.04Å; S213-D217 VanDerWaalsContact O-N 3.07Å; E214-D217 PolarHBondContact O-N 3.17Å; D217-E221 PolarHBondContact O-N 3.42Å
218	R	94.3	Very high	93.5	Very high	83 Å²	83	46.3 Å²	46.3	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-70.9	-40.7	-179.7	-71.8	-177.9	177.1	-87.3	2.4	112.6	Y199 L209 E214 S216 E221 V222	Y199-R218 HydrophobicContact CD2-CB 4.26Å; Y199-R218 HydrophobicContact CE2-CB 3.91Å; L209-R218 HydrophobicContact CD2-CB 4.46Å; L209-R218 VanDerWaalsContact CD2-CD 3.5Å; E214-R218 PolarHBondContact O-N 3.1Å; E214-R218 VanDerWaalsContact O-N 3.13Å; E214-R218 IonicContact OE1-CZ 2.8Å; E214-R218 IonicContact OE1-NE 3.73Å; E214-R218 PolarHBondContact OE1-NE 3.29Å; E214-R218 VanDerWaalsContact OE1-NE 3.1Å; E214-R218 IonicContact OE1-NH2 2.78Å; S216-R218 VanDerWaalsContact C-N 3.33Å; S216-R218 PolarHBondContact O-N 3.48Å; R218-E221 PolarHBondContact O-N 3.27Å; R218-V222 WeakPolarHBondContact O-CG2 3.08Å; R218-V222 PolarHBondContact O-N 2.84Å
219	L	95.5	Very high	93.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-37	178.7	-80.1	167.5	0	0	0	111.7	M195 L198 Y199 M202 A215 S216 E221 V222 L223 L249	M195-L219 HydrophobicContact CB-CD1 3.87Å; M195-L219 HydrophobicContact CE-CD1 3.97Å; M195-L219 HydrophobicContact CG-CD1 4.3Å; L198-L219 HydrophobicContact CB-CD2 4.32Å; L198-L219 HydrophobicContact CD2-CD1 4.18Å; L198-L219 HydrophobicContact CD2-CD2 3.97Å; L198-L219 HydrophobicContact CG-CD2 3.94Å; Y199-L219 HydrophobicContact CD2-CD2 4.27Å; Y199-L219 HydrophobicContact CD2-CG 4.48Å; M202-L219 HydrophobicContact SD-CD2 4.24Å; A215-L219 WeakPolarHBondContact O-CB 3.43Å; A215-L219 WeakPolarHBondContact O-CD1 3.47Å; A215-L219 VanDerWaalsContact O-CG 3.28Å; A215-L219 WeakPolarHBondContact O-CG 3.36Å; A215-L219 PolarHBondContact O-N 2.8Å; S216-L219 PolarHBondContact O-N 3.49Å; L219-E221 VanDerWaalsContact C-N 3.34Å; L219-E221 PolarHBondContact O-N 3.48Å; L219-V222 PolarHBondContact O-N 2.98Å; L219-L223 HydrophobicContact CB-CD1 4.47Å; L219-L223 VanDerWaalsContact O-CB 3.25Å; L219-L223 WeakPolarHBondContact O-CB 3.41Å; L219-L223 VanDerWaalsContact O-CG 3.23Å; L219-L223 WeakPolarHBondContact O-CG 3.18Å; L219-L223 PolarHBondContact O-N 3.03Å; L219-L249 HydrophobicContact CB-CD2 3.58Å; L219-L249 HydrophobicContact CD1-CD1 4.36Å; L219-L249 HydrophobicContact CD1-CD2 4.02Å; L219-L249 HydrophobicContact CG-CD2 4.47Å
220	V	94.8	Very high	93.6	Very high	47 Å²	47	40.9 Å²	40.9	29%	0.285	22%	0.22	S	C	.	.	H	α-helix	trans	-56.9	-48.8	174.5	169.4	0	0	0	0	110.2	S216 V222 L224 E248	S216-V220 VanDerWaalsContact O-CG2 3.23Å; S216-V220 WeakPolarHBondContact O-CG2 3.26Å; S216-V220 PolarHBondContact O-N 3.35Å; V220-V222 PolarHBondContact O-N 3.02Å; V220-L224 WeakPolarHBondContact O-CB 3.34Å; V220-L224 PolarHBondContact O-N 3.09Å; V220-E248 WeakPolarHBondContact CG2-O 3.44Å
221	E	92.2	Very high	93.7	Very high	87 Å²	87	36.5 Å²	36.5	41%	0.407	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-50.5	178	-170.7	-172.4	164.9	0	0	111	R63 D217 R218 L219 L224 F225	R63-E221 IonicContact CZ-OE1 3.15Å; R63-E221 IonicContact NE-OE1 2.79Å; R63-E221 PolarHBondContact NE-OE1 3.48Å; R63-E221 IonicContact NH2-OE1 3.18Å; R63-E221 PolarHBondContact NH2-OE1 2.97Å; D217-E221 PolarHBondContact O-N 3.42Å; R218-E221 PolarHBondContact O-N 3.27Å; L219-E221 VanDerWaalsContact C-N 3.34Å; L219-E221 PolarHBondContact O-N 3.48Å; E221-L224 PolarHBondContact O-N 2.8Å; E221-F225 HydrophobicContact CG-CD2 3.56Å; E221-F225 HydrophobicContact CG-CE2 3.87Å; E221-F225 WeakPolarHBondContact O-CD2 3.41Å; E221-F225 PolarHBondContact O-N 2.86Å
222	V	92.9	Very high	93.8	Very high	13 Å²	13	34.3 Å²	34.3	8%	0.079	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-44.6	-175.8	173.8	0	0	0	0	111.8	Y199 M202 R218 L219 V220 L224 D226 Y227	Y199-V222 HydrophobicContact CE2-CG2 4.14Å; M202-V222 HydrophobicContact CB-CG1 3.5Å; M202-V222 HydrophobicContact CG-CG1 4.33Å; M202-V222 HydrophobicContact SD-CG1 4.07Å; R218-V222 WeakPolarHBondContact O-CG2 3.08Å; R218-V222 PolarHBondContact O-N 2.84Å; L219-V222 PolarHBondContact O-N 2.98Å; V220-V222 PolarHBondContact O-N 3.02Å; V222-L224 VanDerWaalsContact C-N 3.3Å; V222-L224 PolarHBondContact O-N 3.12Å; V222-D226 HydrophobicContact CG1-CB 4.36Å; V222-D226 CarbonylContact O-C 3.34Å; V222-D226 WeakPolarHBondContact O-CA 3.42Å; V222-D226 WeakPolarHBondContact O-CB 3.21Å; V222-D226 PolarHBondContact O-N 2.82Å; V222-Y227 HydrophobicContact CG1-CD2 3.53Å; V222-Y227 HydrophobicContact CG1-CE2 3.75Å; V222-Y227 PolarHBondContact O-N 3.49Å
223	L	93.7	Very high	93.9	Very high	14 Å²	14	32.5 Å²	32.5	7%	0.073	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-40.4	176.2	-74.3	167.8	0	0	0	111.3	M202 L219 Y227 T230 I232 L249 C251	M202-L223 HydrophobicContact CE-CD2 3.58Å; M202-L223 HydrophobicContact SD-CD2 3.96Å; M202-L223 HydrophobicContact SD-CG 4.37Å; L219-L223 HydrophobicContact CB-CD1 4.47Å; L219-L223 VanDerWaalsContact O-CB 3.25Å; L219-L223 WeakPolarHBondContact O-CB 3.41Å; L219-L223 VanDerWaalsContact O-CG 3.23Å; L219-L223 WeakPolarHBondContact O-CG 3.18Å; L219-L223 PolarHBondContact O-N 3.03Å; L223-Y227 CarbonylContact O-C 3.56Å; L223-Y227 VanDerWaalsContact O-O 3.04Å; L223-T230 HydrophobicContact CD2-CG2 3.86Å; L223-I232 HydrophobicContact CD1-CD1 4.32Å; L223-L249 HydrophobicContact CD1-CB 4.21Å; L223-L249 HydrophobicContact CD1-CD1 4.32Å; L223-C251 HydrophobicContact CD1-CB 4.16Å
224	L	91.2	Very high	94.1	Very high	71 Å²	71	29.1 Å²	29.1	37%	0.372	14%	0.141	S	C	.	.	H	α-helix	trans	-71.6	-52.7	-178.4	-168.4	71.8	0	0	0	111.2	M1 R7 V220 E221 V222	M1-L224 HydrophobicContact CE-CD2 3.98Å; M1-L224 HydrophobicContact CE-CG 3.8Å; M1-L224 HydrophobicContact SD-CD2 4.04Å; M1-L224 HydrophobicContact SD-CG 4.42Å; R7-L224 WeakPolarHBondContact CD-O 3.49Å; R7-L224 VanDerWaalsContact NH1-CG 3.26Å; R7-L224 PolarHBondContact NH1-O 3.48Å; V220-L224 WeakPolarHBondContact O-CB 3.34Å; V220-L224 PolarHBondContact O-N 3.09Å; E221-L224 PolarHBondContact O-N 2.8Å; V222-L224 VanDerWaalsContact C-N 3.3Å; V222-L224 PolarHBondContact O-N 3.12Å
225	F	90.2	Very high	94.2	Very high	32 Å²	32	28.5 Å²	28.5	14%	0.14	14%	0.139	C	C	.	.	H	α-helix	trans	-91.4	-34.9	-170.8	-63.8	-75	0	0	0	114.1	M1 R62 R63 E221	M1-F225 HydrophobicContact CE-CD1 3.21Å; M1-F225 HydrophobicContact CE-CE1 3Å; M1-F225 HydrophobicContact CE-CG 4.17Å; M1-F225 HydrophobicContact CE-CZ 3.81Å; M1-F225 HydrophobicContact CG-CE1 4.37Å; M1-F225 HydrophobicContact SD-CD1 4.31Å; M1-F225 HydrophobicContact SD-CE1 3.5Å; M1-F225 VanDerWaalsContact SD-CE1 3.5Å; M1-F225 HydrophobicContact SD-CZ 3.94Å; R62-F225 PolarHBondContact NH1-O 2.84Å; R62-F225 WeakPolarHBondContact O-CD1 3.48Å; R63-F225 HydrophobicContact CB-CD1 4.33Å; R63-F225 HydrophobicContact CB-CE1 4.22Å; R63-F225 HydrophobicContact CG-CB 4.45Å; R63-F225 HydrophobicContact CG-CD1 3.75Å; R63-F225 HydrophobicContact CG-CD2 4.33Å; R63-F225 HydrophobicContact CG-CE1 4Å; R63-F225 HydrophobicContact CG-CG 3.93Å; R63-F225 HydrophobicContact CG-CZ 4.44Å; E221-F225 HydrophobicContact CG-CD2 3.56Å; E221-F225 HydrophobicContact CG-CE2 3.87Å; E221-F225 WeakPolarHBondContact O-CD2 3.41Å; E221-F225 PolarHBondContact O-N 2.86Å
226	D	90.2	Very high	94.2	Very high	32 Å²	32	30.3 Å²	30.3	17%	0.171	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-25.8	-168.5	-63.1	-67	0	0	0	113.5	L11 R62 R63 V222	L11-D226 WeakPolarHBondContact CD1-O 3.31Å; R62-D226 IonicContact CZ-OD1 3.82Å; R62-D226 IonicContact NH1-OD1 2.65Å; R62-D226 PolarHBondContact NH1-OD1 2.8Å; R62-D226 IonicContact NH2-OD1 3.61Å; R62-D226 PolarHBondContact NH2-OD1 3.41Å; R63-D226 IonicContact NH2-OD2 3.75Å; R63-D226 PolarHBondContact NH2-OD2 2.69Å; V222-D226 HydrophobicContact CG1-CB 4.36Å; V222-D226 CarbonylContact O-C 3.34Å; V222-D226 WeakPolarHBondContact O-CA 3.42Å; V222-D226 WeakPolarHBondContact O-CB 3.21Å; V222-D226 PolarHBondContact O-N 2.82Å
227	Y	91.8	Very high	94.3	Very high	55 Å²	55	30.3 Å²	30.3	22%	0.216	15%	0.149	C	C	.	.			trans	-132.7	56.4	-176.4	-65.1	-94.9	0	0	0	112.7	R176 M202 V222 L223 T230	R176-Y227 HydrophobicContact CG-CD1 4.33Å; M202-Y227 WeakPolarHBondContact CA-OH 3.47Å; M202-Y227 HydrophobicContact CB-CD2 3.92Å; M202-Y227 HydrophobicContact CB-CE1 4.49Å; M202-Y227 HydrophobicContact CB-CE2 3.49Å; M202-Y227 VanDerWaalsContact CB-CE2 3.49Å; M202-Y227 HydrophobicContact CG-CD1 4.37Å; M202-Y227 HydrophobicContact CG-CD2 4.07Å; M202-Y227 HydrophobicContact CG-CE1 4.29Å; M202-Y227 HydrophobicContact CG-CE2 3.99Å; M202-Y227 HydrophobicContact CG-CG 4.28Å; M202-Y227 VanDerWaalsContact O-CE2 3.22Å; M202-Y227 WeakPolarHBondContact O-CE2 3.46Å; M202-Y227 PolarHBondContact O-OH 3.25Å; M202-Y227 HydrophobicContact SD-CD2 4.38Å; M202-Y227 HydrophobicContact SD-CG 4.5Å; V222-Y227 HydrophobicContact CG1-CD2 3.53Å; V222-Y227 HydrophobicContact CG1-CE2 3.75Å; V222-Y227 PolarHBondContact O-N 3.49Å; L223-Y227 CarbonylContact O-C 3.56Å; L223-Y227 VanDerWaalsContact O-O 3.04Å; Y227-T230 WeakPolarHBondContact CB-OG1 3.43Å; Y227-T230 WeakPolarHBondContact O-CB 3.37Å; Y227-T230 PolarHBondContact O-OG1 2.82Å
228	P	90.9	Very high	94.4	Very high	5 Å²	5	29 Å²	29	3%	0.032	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	155.7	174.1	31.9	-37.8	0	0	0	110.2	E4 R7 L11 T230	E4-P228 HydrophobicContact CG-CB 3.85Å; R7-P228 HydrophobicContact CB-CB 4Å; R7-P228 HydrophobicContact CB-CG 3.85Å; L11-P228 HydrophobicContact CD1-CG 3.56Å; P228-T230 VanDerWaalsContact C-N 3.26Å; P228-T230 PolarHBondContact O-N 3.36Å
229	R	92	Very high	94.4	Very high	17 Å²	17	26.6 Å²	26.6	6%	0.064	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	39.1	-179.3	-55.7	-165.9	-64	-173.5	18.9	113.5	E4 D5 S8 F174 D175 R176	E4-R229 HydrophobicContact CG-CG 3.66Å; E4-R229 VanDerWaalsContact OE1-CG 3.3Å; E4-R229 WeakPolarHBondContact OE1-CG 3.48Å; E4-R229 PolarHBondContact OE2-N 3.32Å; D5-R229 IonicContact OD1-NH1 3.08Å; S8-R229 PolarHBondContact OG-NE 3.24Å; S8-R229 PolarHBondContact OG-NH2 3.41Å; F174-R229 CarbonylContact C-O 3.54Å; F174-R229 WeakPolarHBondContact CA-O 3.29Å; F174-R229 WeakPolarHBondContact CB-O 3.5Å; D175-R229 HydrophobicContact CB-CB 4.27Å; D175-R229 VanDerWaalsContact CG-NH2 3.3Å; D175-R229 PolarHBondContact N-O 3.29Å; D175-R229 IonicContact OD1-CZ 3.83Å; D175-R229 IonicContact OD1-NE 2.67Å; D175-R229 IonicContact OD1-NH2 3.61Å; D175-R229 PolarHBondContact OD1-NH2 3.11Å; D175-R229 IonicContact OD2-CZ 2.69Å; D175-R229 VanDerWaalsContact OD2-CZ 3.26Å; D175-R229 IonicContact OD2-NE 3.77Å; D175-R229 PolarHBondContact OD2-NE 3Å; D175-R229 IonicContact OD2-NH2 2.75Å; D175-R229 PolarHBondContact OD2-NH2 2.91Å; R176-R229 PolarHBondContact N-O 3.41Å
230	T	94.6	Very high	94.3	Very high	8 Å²	8	30.4 Å²	30.4	5%	0.049	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.2	172.2	-65.5	0	0	0	0	110.9	R176 Y178 M202 L223 Y227 P228 I232	R176-T230 HydrophobicContact CB-CG2 4.36Å; R176-T230 WeakPolarHBondContact O-CA 3.35Å; Y178-T230 HydrophobicContact CD2-CG2 3.59Å; Y178-T230 HydrophobicContact CE2-CG2 3.83Å; M202-T230 HydrophobicContact CE-CG2 4.22Å; L223-T230 HydrophobicContact CD2-CG2 3.86Å; Y227-T230 WeakPolarHBondContact CB-OG1 3.43Å; Y227-T230 WeakPolarHBondContact O-CB 3.37Å; Y227-T230 PolarHBondContact O-OG1 2.82Å; P228-T230 VanDerWaalsContact C-N 3.26Å; P228-T230 PolarHBondContact O-N 3.36Å; T230-I232 HydrophobicContact CG2-CG1 4.41Å
231	L	97.1	Very high	94.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.7	166.9	-179.8	65.3	0	0	0	109.9	L136 L164 F174 R176 V177 Y178 I233 R252 L254	L136-L231 HydrophobicContact CD2-CD1 4.07Å; L136-L231 HydrophobicContact CD2-CD2 4.26Å; L164-L231 HydrophobicContact CD2-CD2 3.74Å; F174-L231 HydrophobicContact CB-CB 4.22Å; F174-L231 HydrophobicContact CD1-CB 3.63Å; F174-L231 HydrophobicContact CD2-CB 3.94Å; F174-L231 HydrophobicContact CD2-CD2 3.94Å; F174-L231 HydrophobicContact CD2-CG 4.43Å; F174-L231 HydrophobicContact CE1-CB 3.85Å; F174-L231 HydrophobicContact CE1-CD1 4.18Å; F174-L231 HydrophobicContact CE2-CB 4.16Å; F174-L231 HydrophobicContact CE2-CD1 4.16Å; F174-L231 HydrophobicContact CE2-CD2 3.88Å; F174-L231 HydrophobicContact CE2-CG 4.3Å; F174-L231 HydrophobicContact CG-CB 3.66Å; F174-L231 HydrophobicContact CZ-CB 4.13Å; F174-L231 HydrophobicContact CZ-CD1 3.85Å; F174-L231 HydrophobicContact CZ-CD2 4.41Å; F174-L231 HydrophobicContact CZ-CG 4.36Å; R176-L231 PolarHBondContact O-N 3.15Å; V177-L231 CarbonylContact C-O 3.39Å; V177-L231 VanDerWaalsContact CA-O 3.29Å; V177-L231 WeakPolarHBondContact CA-O 3.41Å; V177-L231 HydrophobicContact CG1-CB 4.32Å; Y178-L231 PolarHBondContact N-O 3.1Å; L231-I233 HydrophobicContact CD2-CD1 4.32Å; L231-I233 HydrophobicContact CG-CD1 4.19Å; L231-R252 HydrophobicContact CD1-CB 4.42Å; L231-L254 HydrophobicContact CD1-CB 4.1Å; L231-L254 HydrophobicContact CD2-CB 4.45Å
232	I	97.5	Very high	94.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135	169.4	-60.7	179	0	0	0	108.6	I180 L198 L223 T230 L234 Y246 L249 R252 I253 L254	I180-I232 HydrophobicContact CD1-CG2 3.96Å; L198-I232 HydrophobicContact CD2-CD1 3.67Å; L223-I232 HydrophobicContact CD1-CD1 4.32Å; T230-I232 HydrophobicContact CG2-CG1 4.41Å; I232-L234 HydrophobicContact CG2-CD2 4.06Å; I232-L234 HydrophobicContact CG2-CG 4.35Å; I232-Y246 HydrophobicContact CG2-CD1 4.37Å; I232-Y246 HydrophobicContact CG2-CE1 4.29Å; I232-L249 HydrophobicContact CD1-CD1 3.9Å; I232-R252 PolarHBondContact N-O 3.06Å; I232-R252 VanDerWaalsContact N-O 3.11Å; I232-I253 HydrophobicContact CB-CG1 4.29Å; I232-I253 CarbonylContact O-C 3.59Å; I232-I253 VanDerWaalsContact O-CA 3.31Å; I232-I253 WeakPolarHBondContact O-CA 3.45Å; I232-L254 PolarHBondContact O-N 2.71Å
233	I	98.2	Very high	94.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119	173.4	-56.6	86.2	0	0	0	109	L164 V177 Y178 W179 I180 L231 L254	L164-I233 HydrophobicContact CD1-CD1 3.83Å; L164-I233 HydrophobicContact CD1-CG1 4.17Å; V177-I233 HydrophobicContact CB-CD1 4.04Å; Y178-I233 PolarHBondContact O-N 2.78Å; W179-I233 HydrophobicContact CD2-CB 4.12Å; W179-I233 HydrophobicContact CD2-CG2 3.86Å; W179-I233 HydrophobicContact CE3-CB 3.78Å; W179-I233 HydrophobicContact CE3-CD1 4.43Å; W179-I233 HydrophobicContact CE3-CG1 4.02Å; W179-I233 HydrophobicContact CE3-CG2 3.54Å; W179-I233 HydrophobicContact CH2-CG2 3.98Å; W179-I233 HydrophobicContact CZ2-CG2 4.28Å; W179-I233 HydrophobicContact CZ3-CB 4.27Å; W179-I233 HydrophobicContact CZ3-CG1 4.36Å; W179-I233 HydrophobicContact CZ3-CG2 3.61Å; I180-I233 PolarHBondContact N-O 2.96Å; L231-I233 HydrophobicContact CD2-CD1 4.32Å; L231-I233 HydrophobicContact CG-CD1 4.19Å; I233-L254 CarbonylContact C-O 3.57Å; I233-L254 WeakPolarHBondContact CA-O 3.39Å; I233-L254 HydrophobicContact CG1-CB 4.28Å; I233-L254 HydrophobicContact CG1-CD2 4.34Å; I233-L254 WeakPolarHBondContact CG2-O 3.47Å
234	L	97.8	Very high	94.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	102.2	173	-64.3	-173.8	0	0	0	110	W145 I180 I232 V237 V242 Y246 I253 L254 A255 T256	W145-L234 HydrophobicContact CH2-CD1 3.83Å; W145-L234 HydrophobicContact CZ3-CD1 3.84Å; I180-L234 HydrophobicContact CB-CD2 3.94Å; I180-L234 HydrophobicContact CD1-CD2 4.33Å; I180-L234 HydrophobicContact CG2-CD2 4.16Å; I232-L234 HydrophobicContact CG2-CD2 4.06Å; I232-L234 HydrophobicContact CG2-CG 4.35Å; L234-V237 HydrophobicContact CB-CG2 3.7Å; L234-V242 HydrophobicContact CD1-CG1 4.41Å; L234-Y246 HydrophobicContact CD1-CD1 4.05Å; L234-Y246 HydrophobicContact CD1-CD2 3.83Å; L234-Y246 HydrophobicContact CD1-CE2 4.44Å; L234-Y246 HydrophobicContact CD1-CG 3.61Å; L234-Y246 HydrophobicContact CD2-CD1 3.93Å; L234-Y246 HydrophobicContact CD2-CD2 4.19Å; L234-Y246 HydrophobicContact CD2-CE1 3.74Å; L234-Y246 HydrophobicContact CD2-CE2 4.01Å; L234-Y246 HydrophobicContact CD2-CG 4.16Å; L234-Y246 HydrophobicContact CG-CD1 4.42Å; L234-Y246 HydrophobicContact CG-CG 4.43Å; L234-I253 HydrophobicContact CB-CG2 4.49Å; L234-I253 HydrophobicContact CD1-CG2 4.09Å; L234-I253 HydrophobicContact CG-CG2 3.95Å; L234-L254 PolarHBondContact N-O 2.9Å; L234-A255 HydrophobicContact CB-CB 4.33Å; L234-A255 CarbonylContact O-C 3.53Å; L234-A255 VanDerWaalsContact O-CA 3.27Å; L234-A255 WeakPolarHBondContact O-CA 3.29Å; L234-T256 PolarHBondContact O-N 3.46Å
235	D	97.8	Very high	94.9	Very high	19 Å²	19	25.6 Å²	25.6	10%	0.102	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.6	-177	-168.1	33.8	0	0	0	112	S157 W179 I180 A182 T256	S157-D235 WeakPolarHBondContact CB-OD1 3.37Å; S157-D235 PolarHBondContact OG-OD1 2.94Å; W179-D235 HydrophobicContact CZ2-CB 3.71Å; W179-D235 VanDerWaalsContact CZ2-CG 3.49Å; W179-D235 WeakPolarHBondContact CZ2-OD2 3.43Å; I180-D235 PolarHBondContact O-N 2.95Å; A182-D235 PolarHBondContact N-O 2.87Å; D235-T256 PolarHBondContact OD1-OG1 3.32Å
236	D	96.7	Very high	95.2	Very high	38 Å²	38	24.2 Å²	24.2	20%	0.203	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.1	65.6	179	-162.1	47.8	0	0	0	112.1	G183 W238 T256 R258	G183-D236 VanDerWaalsContact CA-O 3.28Å; G183-D236 WeakPolarHBondContact CA-O 3.27Å; G183-D236 PolarHBondContact N-O 3.14Å; D236-W238 PolarHBondContact OD1-NE1 3.08Å; D236-W238 PolarHBondContact OD2-NE1 3.38Å; D236-T256 WeakPolarHBondContact CA-O 3.32Å; D236-T256 PolarHBondContact N-O 3.48Å; D236-T256 PolarHBondContact N-OG1 3.36Å; D236-R258 IonicContact OD1-NE 3.26Å
237	V	97.3	Very high	95.5	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.3	178.6	-178.4	0	0	0	0	111.3	A182 L234 V242 V243 A255 T256 T257 L262 F263	A182-V237 HydrophobicContact CB-CG2 4.33Å; L234-V237 HydrophobicContact CB-CG2 3.7Å; V237-V242 HydrophobicContact CG1-CG1 4.48Å; V237-V243 HydrophobicContact CG1-CG2 3.74Å; V237-A255 HydrophobicContact CG2-CB 4.33Å; V237-T256 PolarHBondContact N-O 2.9Å; V237-T257 PolarHBondContact O-OG1 2.7Å; V237-L262 HydrophobicContact CG1-CD1 4.49Å; V237-L262 WeakPolarHBondContact O-CD1 3.4Å; V237-F263 HydrophobicContact CB-CZ 4.21Å; V237-F263 HydrophobicContact CG1-CZ 4.16Å; V237-F263 HydrophobicContact CG2-CZ 4.37Å
238	W	95.3	Very high	95.6	Very high	85 Å²	85	25 Å²	25	32%	0.322	13%	0.131	S	C	.	.			trans	-121.2	-13.8	-175.8	-75	80.6	0	0	0	116	Q184 D236 R258 L262	Q184-W238 VanDerWaalsContact CA-CD1 3.45Å; Q184-W238 HydrophobicContact CB-CD2 3.85Å; Q184-W238 HydrophobicContact CB-CE3 4.35Å; Q184-W238 HydrophobicContact CB-CG 4.07Å; Q184-W238 HydrophobicContact CB-CZ2 4.12Å; Q184-W238 HydrophobicContact CG-CD2 3.79Å; Q184-W238 HydrophobicContact CG-CE3 3.77Å; Q184-W238 HydrophobicContact CG-CG 4.31Å; Q184-W238 HydrophobicContact CG-CH2 4.21Å; Q184-W238 HydrophobicContact CG-CZ2 4.24Å; Q184-W238 HydrophobicContact CG-CZ3 3.99Å; Q184-W238 VanDerWaalsContact N-CD1 3.34Å; D236-W238 PolarHBondContact OD1-NE1 3.08Å; D236-W238 PolarHBondContact OD2-NE1 3.38Å; W238-R258 VanDerWaalsContact CZ2-CZ 3.49Å; W238-L262 VanDerWaalsContact C-CD1 3.45Å
239	S	94.5	Very high	95.8	Very high	34 Å²	34	24.9 Å²	24.9	24%	0.238	13%	0.13	C	C	.	.			trans	-132.7	145.6	-178.3	62	0	0	0	0	111.6	G241 V242	S239-G241 VanDerWaalsContact C-N 3.3Å; S239-V242 PolarHBondContact O-N 2.87Å; S239-V242 VanDerWaalsContact OG-CG2 3.28Å; S239-V242 WeakPolarHBondContact OG-CG2 3.27Å
240	D	94.5	Very high	95.9	Very high	80 Å²	80	29.2 Å²	29.2	43%	0.428	15%	0.151	S	C	.	.	H	α-helix	trans	-66.5	-31.4	172.3	56.4	-6.5	0	0	0	111.9	V242 V243 Q244 V265	D240-V242 VanDerWaalsContact C-N 3.3Å; D240-V242 PolarHBondContact O-N 3.34Å; D240-V243 CarbonylContact O-C 3.55Å; D240-V243 WeakPolarHBondContact O-CA 3.35Å; D240-V243 WeakPolarHBondContact O-CB 3.36Å; D240-V243 PolarHBondContact O-N 3.38Å; D240-Q244 WeakPolarHBondContact O-CG 3.43Å; D240-Q244 PolarHBondContact O-N 3.27Å; D240-V265 HydrophobicContact CB-CG1 4.12Å; D240-V265 HydrophobicContact CB-CG2 4.06Å
241	G	94.2	Very high	95.8	Very high	32 Å²	32	29.6 Å²	29.6	33%	0.33	15%	0.154	S	C	.	.	H	α-helix	trans	-59.6	-36.1	174.5	0	0	0	0	0	113.8	S239 A245	S239-G241 VanDerWaalsContact C-N 3.3Å; G241-A245 WeakPolarHBondContact O-CB 3.3Å; G241-A245 PolarHBondContact O-N 3.4Å; G241-A245 VanDerWaalsContact O-N 3.09Å
242	V	95.4	Very high	95.9	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-67.2	-42.8	171.2	171.2	0	0	0	0	110.2	A182 C186 T191 L234 V237 S239 D240 Q244 A245 Y246	A182-V242 HydrophobicContact CB-CG1 4.32Å; C186-V242 HydrophobicContact CB-CG2 3.88Å; T191-V242 WeakPolarHBondContact OG1-CG2 3.37Å; L234-V242 HydrophobicContact CD1-CG1 4.41Å; V237-V242 HydrophobicContact CG1-CG1 4.48Å; S239-V242 PolarHBondContact O-N 2.87Å; S239-V242 VanDerWaalsContact OG-CG2 3.28Å; S239-V242 WeakPolarHBondContact OG-CG2 3.27Å; D240-V242 VanDerWaalsContact C-N 3.3Å; D240-V242 PolarHBondContact O-N 3.34Å; V242-Q244 PolarHBondContact O-N 3.05Å; V242-A245 PolarHBondContact O-N 3.23Å; V242-Y246 HydrophobicContact CG1-CD2 4.01Å; V242-Y246 HydrophobicContact CG1-CE2 4.26Å; V242-Y246 WeakPolarHBondContact O-CD2 3.36Å; V242-Y246 PolarHBondContact O-N 3.32Å; V242-Y246 VanDerWaalsContact O-N 3.12Å
243	V	96.6	Very high	95.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-47.1	178.4	178.9	0	0	0	0	110.6	W145 V237 D240 Y246 D247 F263 V265 V266	W145-V243 HydrophobicContact CH2-CG1 4.05Å; W145-V243 HydrophobicContact CZ2-CG1 4.09Å; W145-V243 WeakPolarHBondContact CZ2-O 3.45Å; V237-V243 HydrophobicContact CG1-CG2 3.74Å; D240-V243 CarbonylContact O-C 3.55Å; D240-V243 WeakPolarHBondContact O-CA 3.35Å; D240-V243 WeakPolarHBondContact O-CB 3.36Å; D240-V243 PolarHBondContact O-N 3.38Å; V243-Y246 PolarHBondContact O-N 2.96Å; V243-D247 WeakPolarHBondContact O-CB 3.3Å; V243-D247 PolarHBondContact O-N 3.16Å; V243-F263 HydrophobicContact CG1-CD1 3.87Å; V243-F263 HydrophobicContact CG1-CE1 4.2Å; V243-F263 HydrophobicContact CG1-CG 4.47Å; V243-F263 HydrophobicContact CG2-CD1 4.11Å; V243-F263 HydrophobicContact CG2-CE1 3.85Å; V243-F263 HydrophobicContact CG2-CE2 4.32Å; V243-F263 HydrophobicContact CG2-CG 4.48Å; V243-F263 HydrophobicContact CG2-CZ 3.95Å; V243-V265 HydrophobicContact CB-CG2 4.19Å; V243-V265 HydrophobicContact CG1-CG2 3.97Å; V243-V266 HydrophobicContact CG1-CG2 3.26Å
244	Q	95	Very high	95.9	Very high	94 Å²	94	30 Å²	30	44%	0.439	16%	0.156	S	C	.	.	H	α-helix	trans	-59.6	-49.8	177.4	-72.3	175.2	-25.7	0	0	112	D240 V242 Y246 D247 E248 V265	D240-Q244 WeakPolarHBondContact O-CG 3.43Å; D240-Q244 PolarHBondContact O-N 3.27Å; V242-Q244 PolarHBondContact O-N 3.05Å; Q244-Y246 VanDerWaalsContact C-N 3.26Å; Q244-Y246 PolarHBondContact O-N 3.18Å; Q244-D247 PolarHBondContact O-N 3.49Å; Q244-D247 VanDerWaalsContact O-N 3.15Å; Q244-E248 PolarHBondContact O-N 3.12Å; Q244-E248 VanDerWaalsContact O-N 3.16Å; Q244-V265 HydrophobicContact CG-CB 4.05Å; Q244-V265 HydrophobicContact CG-CG2 3.73Å
245	A	95.1	Very high	95.9	Very high	4 Å²	4	30 Å²	30	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-58.6	-37.4	-179.8	0	0	0	0	0	112.9	T191 M195 I212 G241 V242	T191-A245 HydrophobicContact CG2-CB 3.69Å; M195-A245 HydrophobicContact SD-CB 4.5Å; I212-A245 HydrophobicContact CG2-CB 3.66Å; G241-A245 WeakPolarHBondContact O-CB 3.3Å; G241-A245 PolarHBondContact O-N 3.4Å; G241-A245 VanDerWaalsContact O-N 3.09Å; V242-A245 PolarHBondContact O-N 3.23Å
246	Y	96.1	Very high	96	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-85.2	-23.6	177.8	-81.9	-91.7	0	0	0	113.4	I180 T191 T194 M195 I232 L234 V242 V243 Q244 E248 L249 I253	I180-Y246 HydrophobicContact CD1-CE1 3.76Å; I180-Y246 WeakPolarHBondContact CD1-OH 3.13Å; T191-Y246 HydrophobicContact CG2-CE2 4.24Å; T194-Y246 WeakPolarHBondContact CB-OH 3.29Å; T194-Y246 PolarHBondContact OG1-OH 3.5Å; M195-Y246 HydrophobicContact CG-CE2 4.34Å; I232-Y246 HydrophobicContact CG2-CD1 4.37Å; I232-Y246 HydrophobicContact CG2-CE1 4.29Å; L234-Y246 HydrophobicContact CD1-CD1 4.05Å; L234-Y246 HydrophobicContact CD1-CD2 3.83Å; L234-Y246 HydrophobicContact CD1-CE2 4.44Å; L234-Y246 HydrophobicContact CD1-CG 3.61Å; L234-Y246 HydrophobicContact CD2-CD1 3.93Å; L234-Y246 HydrophobicContact CD2-CD2 4.19Å; L234-Y246 HydrophobicContact CD2-CE1 3.74Å; L234-Y246 HydrophobicContact CD2-CE2 4.01Å; L234-Y246 HydrophobicContact CD2-CG 4.16Å; L234-Y246 HydrophobicContact CG-CD1 4.42Å; L234-Y246 HydrophobicContact CG-CG 4.43Å; V242-Y246 HydrophobicContact CG1-CD2 4.01Å; V242-Y246 HydrophobicContact CG1-CE2 4.26Å; V242-Y246 WeakPolarHBondContact O-CD2 3.36Å; V242-Y246 PolarHBondContact O-N 3.32Å; V242-Y246 VanDerWaalsContact O-N 3.12Å; V243-Y246 PolarHBondContact O-N 2.96Å; Q244-Y246 VanDerWaalsContact C-N 3.26Å; Q244-Y246 PolarHBondContact O-N 3.18Å; Y246-E248 VanDerWaalsContact C-N 3.27Å; Y246-E248 PolarHBondContact O-N 3.29Å; Y246-L249 HydrophobicContact CD1-CD1 3.7Å; Y246-L249 HydrophobicContact CE1-CD1 4.17Å; Y246-L249 WeakPolarHBondContact O-CB 3.46Å; Y246-L249 PolarHBondContact O-N 3.39Å; Y246-I253 WeakPolarHBondContact O-CD1 3.5Å
247	D	96	Very high	96	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.043	14%	0.142	C	C	.	.	H	α-helix	trans	-67.5	-31.2	173.4	-164.1	46.9	0	0	0	110.9	W145 V243 Q244 L249 Q250 N267 S268	W145-D247 HydrophobicContact CZ2-CB 3.94Å; W145-D247 PolarHBondContact NE1-OD1 3.1Å; V243-D247 WeakPolarHBondContact O-CB 3.3Å; V243-D247 PolarHBondContact O-N 3.16Å; Q244-D247 PolarHBondContact O-N 3.49Å; Q244-D247 VanDerWaalsContact O-N 3.15Å; D247-L249 PolarHBondContact O-N 2.83Å; D247-L249 VanDerWaalsContact O-N 3.16Å; D247-Q250 PolarHBondContact O-N 3.35Å; D247-Q250 VanDerWaalsContact O-N 3.13Å; D247-Q250 PolarHBondContact O-NE2 2.81Å; D247-N267 PolarHBondContact OD2-N 3.28Å; D247-S268 PolarHBondContact OD1-OG 3.41Å
248	E	95.2	Very high	96	Very high	96 Å²	96	32.9 Å²	32.9	45%	0.449	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.5	171.9	-71.4	176.1	-167.9	0	0	113.3	S216 V220 Q244 Y246 Q250	S216-E248 WeakPolarHBondContact CB-OE2 3.46Å; S216-E248 PolarHBondContact OG-OE2 3.35Å; V220-E248 WeakPolarHBondContact CG2-O 3.44Å; Q244-E248 PolarHBondContact O-N 3.12Å; Q244-E248 VanDerWaalsContact O-N 3.16Å; Y246-E248 VanDerWaalsContact C-N 3.27Å; Y246-E248 PolarHBondContact O-N 3.29Å; E248-Q250 PolarHBondContact O-N 3.46Å
249	L	95.1	Very high	96	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.7	178.5	-59.4	-173	0	0	0	113.8	M195 L198 L219 L223 I232 Y246 D247 C251	M195-L249 HydrophobicContact CE-CD2 3.86Å; M195-L249 HydrophobicContact CE-CG 4.46Å; L198-L249 HydrophobicContact CD2-CD1 4.45Å; L219-L249 HydrophobicContact CB-CD2 3.58Å; L219-L249 HydrophobicContact CD1-CD1 4.36Å; L219-L249 HydrophobicContact CD1-CD2 4.02Å; L219-L249 HydrophobicContact CG-CD2 4.47Å; L223-L249 HydrophobicContact CD1-CB 4.21Å; L223-L249 HydrophobicContact CD1-CD1 4.32Å; I232-L249 HydrophobicContact CD1-CD1 3.9Å; Y246-L249 HydrophobicContact CD1-CD1 3.7Å; Y246-L249 HydrophobicContact CE1-CD1 4.17Å; Y246-L249 WeakPolarHBondContact O-CB 3.46Å; Y246-L249 PolarHBondContact O-N 3.39Å; D247-L249 PolarHBondContact O-N 2.83Å; D247-L249 VanDerWaalsContact O-N 3.16Å; L249-C251 VanDerWaalsContact C-N 3.25Å; L249-C251 PolarHBondContact O-N 3.41Å
250	Q	93.3	Very high	96.1	Very high	109 Å²	109	31.5 Å²	31.5	51%	0.509	16%	0.161	S	C	.	.			trans	47	49.7	179.2	-61.5	-66.8	-70.1	0	0	111.9	P143 D247 E248	P143-Q250 VanDerWaalsContact CB-C 3.5Å; P143-Q250 HydrophobicContact CB-CB 4.42Å; P143-Q250 HydrophobicContact CG-CB 4.25Å; P143-Q250 VanDerWaalsContact CG-O 3.25Å; P143-Q250 WeakPolarHBondContact CG-O 3.19Å; D247-Q250 PolarHBondContact O-N 3.35Å; D247-Q250 VanDerWaalsContact O-N 3.13Å; D247-Q250 PolarHBondContact O-NE2 2.81Å; E248-Q250 PolarHBondContact O-N 3.46Å
251	C	94.1	Very high	96.3	Very high	16 Å²	16	33.3 Å²	33.3	11%	0.108	17%	0.171	C	C	.	.	S	Bend	trans	-128.9	179.1	-179	68.9	0	0	0	0	111.5	G144 L223 L249	G144-C251 PolarHBondContact N-O 3.43Å; G144-C251 VanDerWaalsContact N-O 3.11Å; L223-C251 HydrophobicContact CD1-CB 4.16Å; L249-C251 VanDerWaalsContact C-N 3.25Å; L249-C251 PolarHBondContact O-N 3.41Å
252	R	97.2	Very high	96.4	Very high	8 Å²	8	33 Å²	33	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.5	177.8	-71.2	176.2	-76.6	174.3	-3.8	109.7	E4 L139 D140 E142 G144 F174 L231 I232	E4-R252 IonicContact OE1-CZ 3.03Å; E4-R252 IonicContact OE1-NH1 3.53Å; E4-R252 IonicContact OE1-NH2 2.7Å; E4-R252 PolarHBondContact OE1-NH2 3.32Å; E4-R252 IonicContact OE2-CZ 2.65Å; E4-R252 IonicContact OE2-NH2 3.27Å; E4-R252 PolarHBondContact OE2-NH2 3.41Å; L139-R252 HydrophobicContact CB-CG 4.3Å; L139-R252 HydrophobicContact CD1-CB 4.04Å; L139-R252 HydrophobicContact CD1-CG 3.99Å; D140-R252 PolarHBondContact O-NH1 3.25Å; E142-R252 WeakPolarHBondContact O-CG 3.42Å; G144-R252 WeakPolarHBondContact O-CA 3.47Å; F174-R252 HydrophobicContact CE1-CB 3.85Å; F174-R252 HydrophobicContact CE1-CG 4.4Å; F174-R252 HydrophobicContact CZ-CB 4.21Å; L231-R252 HydrophobicContact CD1-CB 4.42Å; I232-R252 PolarHBondContact N-O 3.06Å; I232-R252 VanDerWaalsContact N-O 3.11Å
253	I	98.2	Very high	96.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.6	-173.1	-56.3	171.7	0	0	0	111	G144 W145 V146 I232 L234 Y246	G144-I253 PolarHBondContact O-N 2.79Å; W145-I253 CarbonylContact C-O 3.55Å; W145-I253 WeakPolarHBondContact CA-O 3.3Å; W145-I253 HydrophobicContact CD2-CB 3.97Å; W145-I253 HydrophobicContact CD2-CD1 4.28Å; W145-I253 HydrophobicContact CD2-CG2 4.29Å; W145-I253 HydrophobicContact CE3-CB 3.73Å; W145-I253 HydrophobicContact CE3-CD1 4.38Å; W145-I253 HydrophobicContact CE3-CG2 3.54Å; W145-I253 HydrophobicContact CH2-CB 4.42Å; W145-I253 HydrophobicContact CH2-CD1 3.62Å; W145-I253 HydrophobicContact CH2-CG2 4.03Å; W145-I253 HydrophobicContact CZ2-CD1 3.46Å; W145-I253 VanDerWaalsContact CZ2-CD1 3.46Å; W145-I253 HydrophobicContact CZ3-CB 3.98Å; W145-I253 HydrophobicContact CZ3-CD1 4.07Å; W145-I253 HydrophobicContact CZ3-CG2 3.39Å; V146-I253 PolarHBondContact N-O 3.28Å; I232-I253 HydrophobicContact CB-CG1 4.29Å; I232-I253 CarbonylContact O-C 3.59Å; I232-I253 VanDerWaalsContact O-CA 3.31Å; I232-I253 WeakPolarHBondContact O-CA 3.45Å; L234-I253 HydrophobicContact CB-CG2 4.49Å; L234-I253 HydrophobicContact CD1-CG2 4.09Å; L234-I253 HydrophobicContact CG-CG2 3.95Å; Y246-I253 WeakPolarHBondContact O-CD1 3.5Å
254	L	98.6	Very high	96.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.3	167.1	174.8	64.2	0	0	0	108.8	I132 L136 V146 V148 A160 V163 L231 I232 I233 L234	I132-L254 HydrophobicContact CG2-CD1 4.16Å; L136-L254 HydrophobicContact CD2-CB 4.47Å; V146-L254 HydrophobicContact CB-CD1 3.8Å; V146-L254 HydrophobicContact CG1-CD1 3.6Å; V146-L254 CarbonylContact O-C 3.5Å; V146-L254 WeakPolarHBondContact O-CA 3.47Å; V148-L254 HydrophobicContact CG2-CD1 3.71Å; A160-L254 HydrophobicContact CB-CD2 3.95Å; A160-L254 HydrophobicContact CB-CG 4.45Å; V163-L254 HydrophobicContact CG1-CD2 4.2Å; L231-L254 HydrophobicContact CD1-CB 4.1Å; L231-L254 HydrophobicContact CD2-CB 4.45Å; I232-L254 PolarHBondContact O-N 2.71Å; I233-L254 CarbonylContact C-O 3.57Å; I233-L254 WeakPolarHBondContact CA-O 3.39Å; I233-L254 HydrophobicContact CG1-CB 4.28Å; I233-L254 HydrophobicContact CG1-CD2 4.34Å; I233-L254 WeakPolarHBondContact CG2-O 3.47Å; L234-L254 PolarHBondContact N-O 2.9Å
255	A	98.6	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145.6	179.9	0	0	0	0	0	111.9	W145 V146 V148 L234 V237 F263	W145-A255 HydrophobicContact CE3-CB 4.11Å; W145-A255 HydrophobicContact CZ3-CB 4.1Å; V146-A255 PolarHBondContact O-N 2.98Å; V148-A255 PolarHBondContact N-O 3.2Å; L234-A255 HydrophobicContact CB-CB 4.33Å; L234-A255 CarbonylContact O-C 3.53Å; L234-A255 VanDerWaalsContact O-CA 3.27Å; L234-A255 WeakPolarHBondContact O-CA 3.29Å; V237-A255 HydrophobicContact CG2-CB 4.33Å; A255-F263 HydrophobicContact CB-CE1 3.6Å; A255-F263 HydrophobicContact CB-CZ 3.49Å; A255-F263 VanDerWaalsContact CB-CZ 3.49Å
256	T	98.5	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.2	165.7	81	0	0	0	0	110.1	V148 K156 A160 L234 D235 D236 V237	V148-T256 HydrophobicContact CB-CG2 4.48Å; V148-T256 VanDerWaalsContact O-CA 3.3Å; V148-T256 WeakPolarHBondContact O-CA 3.22Å; K156-T256 HydrophobicContact CB-CG2 4.31Å; A160-T256 HydrophobicContact CB-CG2 3.59Å; L234-T256 PolarHBondContact O-N 3.46Å; D235-T256 PolarHBondContact OD1-OG1 3.32Å; D236-T256 WeakPolarHBondContact CA-O 3.32Å; D236-T256 PolarHBondContact N-O 3.48Å; D236-T256 PolarHBondContact N-OG1 3.36Å; V237-T256 PolarHBondContact N-O 2.9Å
257	T	98	Very high	96.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	161.2	-180	-172.2	0	0	0	0	112.8	V147 V148 H149 G150 K156 V237 N259 F263	V147-T257 HydrophobicContact CG1-CG2 3.79Å; V148-T257 PolarHBondContact O-N 2.93Å; H149-T257 VanDerWaalsContact CA-O 3.27Å; H149-T257 WeakPolarHBondContact CA-O 3.29Å; H149-T257 HydrophobicContact CB-CG2 3.74Å; G150-T257 PolarHBondContact N-O 3.18Å; K156-T257 WeakPolarHBondContact CD-O 3.34Å; K156-T257 WeakPolarHBondContact CE-O 3.49Å; V237-T257 PolarHBondContact O-OG1 2.7Å; T257-N259 WeakPolarHBondContact CG2-O 3.31Å; T257-N259 PolarHBondContact OG1-N 2.83Å; T257-N259 PolarHBondContact OG1-O 3.02Å; T257-F263 HydrophobicContact CG2-CD2 4.28Å; T257-F263 HydrophobicContact CG2-CE2 3.61Å; T257-F263 HydrophobicContact CG2-CZ 4.47Å
258	R	96.3	Very high	95.9	Very high	117 Å²	117	43.6 Å²	43.6	44%	0.442	22%	0.224	S	C	.	.	S	Bend	trans	-86.8	-23.6	166.3	-58.7	178.2	-166.2	-170.1	2.5	112	S152 D236 W238	S152-R258 PolarHBondContact OG-NH2 3.31Å; D236-R258 IonicContact OD1-NE 3.26Å; W238-R258 VanDerWaalsContact CZ2-CZ 3.49Å
259	N	96.3	Very high	95.8	Very high	69 Å²	69	41 Å²	41	37%	0.369	22%	0.224	S	C	.	.			trans	-126.3	103	-171.8	-176.9	11.3	0	0	0	110.7	T257 L261 L262	T257-N259 WeakPolarHBondContact CG2-O 3.31Å; T257-N259 PolarHBondContact OG1-N 2.83Å; T257-N259 PolarHBondContact OG1-O 3.02Å; N259-L261 PolarHBondContact O-N 3.24Å; N259-L261 VanDerWaalsContact OD1-CB 3.31Å; N259-L261 WeakPolarHBondContact OD1-CB 3.46Å; N259-L261 WeakPolarHBondContact OD1-CG 3.49Å; N259-L261 PolarHBondContact OD1-N 2.87Å; N259-L261 VanDerWaalsContact OD1-N 3.12Å; N259-L262 HydrophobicContact CB-CD1 4.17Å; N259-L262 HydrophobicContact CB-CG 4.09Å; N259-L262 WeakPolarHBondContact O-CG 3.48Å; N259-L262 PolarHBondContact O-N 2.64Å
260	A	96.7	Very high	95.9	Very high	21 Å²	21	44.5 Å²	44.5	17%	0.174	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-64	-25.2	178.7	0	0	0	0	0	113.3	H149 L262 F263 F272	H149-A260 HydrophobicContact CB-CB 4.3Å; A260-L262 PolarHBondContact O-N 2.88Å; A260-L262 VanDerWaalsContact O-N 3.17Å; A260-F263 PolarHBondContact O-N 2.88Å; A260-F263 VanDerWaalsContact O-N 3.1Å; A260-F272 HydrophobicContact CB-CD1 3.97Å; A260-F272 HydrophobicContact CB-CE1 3.85Å
261	L	97	Very high	96.1	Very high	119 Å²	119	41.8 Å²	41.8	62%	0.623	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-64.9	-19.7	-178.2	-57.8	174.6	0	0	0	112.9	N259 F263 D264	N259-L261 PolarHBondContact O-N 3.24Å; N259-L261 VanDerWaalsContact OD1-CB 3.31Å; N259-L261 WeakPolarHBondContact OD1-CB 3.46Å; N259-L261 WeakPolarHBondContact OD1-CG 3.49Å; N259-L261 PolarHBondContact OD1-N 2.87Å; N259-L261 VanDerWaalsContact OD1-N 3.12Å; L261-F263 PolarHBondContact O-N 2.94Å; L261-F263 VanDerWaalsContact O-N 3.1Å; L261-D264 PolarHBondContact O-N 2.98Å
262	L	96.7	Very high	96.3	Very high	24 Å²	24	45 Å²	45	13%	0.126	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-60.5	-19.4	174.3	-62.5	175.6	0	0	0	112.8	V237 W238 N259 A260 V265	V237-L262 HydrophobicContact CG1-CD1 4.49Å; V237-L262 WeakPolarHBondContact O-CD1 3.4Å; W238-L262 VanDerWaalsContact C-CD1 3.45Å; N259-L262 HydrophobicContact CB-CD1 4.17Å; N259-L262 HydrophobicContact CB-CG 4.09Å; N259-L262 WeakPolarHBondContact O-CG 3.48Å; N259-L262 PolarHBondContact O-N 2.64Å; A260-L262 PolarHBondContact O-N 2.88Å; A260-L262 VanDerWaalsContact O-N 3.17Å; L262-V265 WeakPolarHBondContact O-CG2 3.02Å
263	F	97.5	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-98.6	12.5	-176.7	-63.1	-98.6	0	0	0	112.8	W145 V147 V237 V243 A255 T257 A260 L261 V266 K270 F272	W145-F263 HydrophobicContact CD2-CD1 4.34Å; W145-F263 HydrophobicContact CD2-CE1 4.36Å; W145-F263 AromaticContact CE3-CD1 3.9Å; W145-F263 HydrophobicContact CE3-CD1 3.9Å; W145-F263 AromaticContact CE3-CE1 3.49Å; W145-F263 HydrophobicContact CE3-CE1 3.49Å; W145-F263 VanDerWaalsContact CE3-CE1 3.49Å; W145-F263 HydrophobicContact CH2-CE1 4.43Å; W145-F263 HydrophobicContact CZ3-CD1 4.22Å; W145-F263 AromaticContact CZ3-CE1 3.53Å; W145-F263 HydrophobicContact CZ3-CE1 3.53Å; V147-F263 HydrophobicContact CG1-CD1 4.42Å; V147-F263 HydrophobicContact CG1-CD2 3.74Å; V147-F263 HydrophobicContact CG1-CE1 4.36Å; V147-F263 HydrophobicContact CG1-CE2 3.73Å; V147-F263 HydrophobicContact CG1-CG 4.13Å; V147-F263 HydrophobicContact CG1-CZ 4.04Å; V147-F263 HydrophobicContact CG2-CB 4.29Å; V147-F263 HydrophobicContact CG2-CD1 3.45Å; V147-F263 VanDerWaalsContact CG2-CD1 3.45Å; V147-F263 HydrophobicContact CG2-CD2 4.2Å; V147-F263 HydrophobicContact CG2-CE1 3.75Å; V147-F263 HydrophobicContact CG2-CE2 4.48Å; V147-F263 HydrophobicContact CG2-CG 3.7Å; V147-F263 HydrophobicContact CG2-CZ 4.27Å; V237-F263 HydrophobicContact CB-CZ 4.21Å; V237-F263 HydrophobicContact CG1-CZ 4.16Å; V237-F263 HydrophobicContact CG2-CZ 4.37Å; V243-F263 HydrophobicContact CG1-CD1 3.87Å; V243-F263 HydrophobicContact CG1-CE1 4.2Å; V243-F263 HydrophobicContact CG1-CG 4.47Å; V243-F263 HydrophobicContact CG2-CD1 4.11Å; V243-F263 HydrophobicContact CG2-CE1 3.85Å; V243-F263 HydrophobicContact CG2-CE2 4.32Å; V243-F263 HydrophobicContact CG2-CG 4.48Å; V243-F263 HydrophobicContact CG2-CZ 3.95Å; A255-F263 HydrophobicContact CB-CE1 3.6Å; A255-F263 HydrophobicContact CB-CZ 3.49Å; A255-F263 VanDerWaalsContact CB-CZ 3.49Å; T257-F263 HydrophobicContact CG2-CD2 4.28Å; T257-F263 HydrophobicContact CG2-CE2 3.61Å; T257-F263 HydrophobicContact CG2-CZ 4.47Å; A260-F263 PolarHBondContact O-N 2.88Å; A260-F263 VanDerWaalsContact O-N 3.1Å; L261-F263 PolarHBondContact O-N 2.94Å; L261-F263 VanDerWaalsContact O-N 3.1Å; F263-V266 HydrophobicContact CB-CG2 4.14Å; F263-V266 HydrophobicContact CD1-CG2 4.09Å; F263-V266 WeakPolarHBondContact O-CB 3.02Å; F263-V266 PolarHBondContact O-N 3.4Å; F263-K270 PolarHBondContact O-NZ 2.79Å; F263-F272 HydrophobicContact CB-CE1 4.05Å; F263-F272 HydrophobicContact CB-CZ 3.98Å
264	D	96.3	Very high	96.3	Very high	102 Å²	102	48.6 Å²	48.6	55%	0.545	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.5	172.6	-72.7	-21	0	0	0	113.1	L261 V266 K270	L261-D264 PolarHBondContact O-N 2.98Å; D264-V266 VanDerWaalsContact C-N 3.32Å; D264-K270 IonicContact OD1-NZ 3.47Å; D264-K270 PolarHBondContact OD1-NZ 3.35Å
265	V	95.2	Very high	96.2	Very high	43 Å²	43	48.8 Å²	48.8	26%	0.261	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.7	174.8	-58.9	0	0	0	0	114.2	D240 V243 Q244 L262	D240-V265 HydrophobicContact CB-CG1 4.12Å; D240-V265 HydrophobicContact CB-CG2 4.06Å; V243-V265 HydrophobicContact CB-CG2 4.19Å; V243-V265 HydrophobicContact CG1-CG2 3.97Å; Q244-V265 HydrophobicContact CG-CB 4.05Å; Q244-V265 HydrophobicContact CG-CG2 3.73Å; L262-V265 WeakPolarHBondContact O-CG2 3.02Å
266	V	94.6	Very high	95.8	Very high	13 Å²	13	54.9 Å²	54.9	8%	0.079	29%	0.287	C	S	.	.			trans	-71.8	130	-179	171.6	0	0	0	0	110.1	W145 V243 F263 D264 S268	W145-V266 HydrophobicContact CD2-CG2 4.38Å; W145-V266 HydrophobicContact CG-CG1 4.14Å; W145-V266 HydrophobicContact CG-CG2 4.43Å; V243-V266 HydrophobicContact CG1-CG2 3.26Å; F263-V266 HydrophobicContact CB-CG2 4.14Å; F263-V266 HydrophobicContact CD1-CG2 4.09Å; F263-V266 WeakPolarHBondContact O-CB 3.02Å; F263-V266 PolarHBondContact O-N 3.4Å; D264-V266 VanDerWaalsContact C-N 3.32Å; V266-S268 WeakPolarHBondContact CG1-O 3.28Å; V266-S268 WeakPolarHBondContact CG1-OG 3.49Å
267	N	90.1	Very high	95.2	Very high	151 Å²	151	58.8 Å²	58.8	81%	0.807	31%	0.313	S	S	*	.			trans	-92.6	-24.2	177.2	-61.2	-67.2	0	0	0	112.9	D247	D247-N267 PolarHBondContact OD2-N 3.28Å
268	S	89.7	Confident	94.6	Very high	23 Å²	23	61 Å²	61	16%	0.161	33%	0.329	C	S	.	.	S	Bend	trans	-78.8	174.2	178.3	59.5	0	0	0	0	112.7	W145 D247 V266	W145-S268 PolarHBondContact NE1-OG 2.88Å; D247-S268 PolarHBondContact OD1-OG 3.41Å; V266-S268 WeakPolarHBondContact CG1-O 3.28Å; V266-S268 WeakPolarHBondContact CG1-OG 3.49Å
269	G	94.1	Very high	94.4	Very high	43 Å²	43	55.8 Å²	55.8	44%	0.443	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	142.2	177.4	0	0	0	0	0	111.9	G144 W145	G144-G269 CarbonylContact C-O 3.57Å; G144-G269 WeakPolarHBondContact CA-O 3.36Å; W145-G269 PolarHBondContact N-O 2.83Å
270	K	96.2	Very high	94.3	Very high	74 Å²	74	53.6 Å²	53.6	32%	0.322	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.5	-179.8	63.2	-174.2	179.4	176.8	0	113.3	W145 F263 D264 F272	W145-K270 HydrophobicContact CB-CB 4.33Å; W145-K270 CarbonylContact O-C 3.54Å; W145-K270 WeakPolarHBondContact O-CA 3.48Å; F263-K270 PolarHBondContact O-NZ 2.79Å; D264-K270 IonicContact OD1-NZ 3.47Å; D264-K270 PolarHBondContact OD1-NZ 3.35Å; K270-F272 HydrophobicContact CB-CE2 4.36Å; K270-F272 HydrophobicContact CD-CE2 3.58Å; K270-F272 HydrophobicContact CD-CZ 3.78Å; K270-F272 HydrophobicContact CG-CE2 3.79Å; K270-F272 HydrophobicContact CG-CZ 4.38Å
271	H	97.9	Very high	94.1	Very high	53 Å²	53	55.4 Å²	55.4	25%	0.245	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.5	175.1	-61.9	-89.5	0	0	0	109.7	A135 Q138 W145 V146 V147	A135-H271 HydrophobicContact CB-CB 3.95Å; Q138-H271 VanDerWaalsContact CB-CE1 3.48Å; Q138-H271 WeakPolarHBondContact CB-CE1 3.31Å; Q138-H271 PolarHBondContact OE1-CE1 3.15Å; Q138-H271 PolarHBondContact OE1-ND1 2.8Å; W145-H271 PolarHBondContact O-N 2.61Å; V146-H271 CarbonylContact C-O 3.24Å; V146-H271 WeakPolarHBondContact CA-O 3.49Å; V146-H271 HydrophobicContact CG2-CB 4.42Å; V147-H271 PolarHBondContact N-O 3.31Å
272	F	98.1	Very high	94	Very high	83 Å²	83	52.4 Å²	52.4	36%	0.364	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.5	178.5	-67.6	-85.3	0	0	0	111.1	V147 A260 F263 K270	V147-F272 HydrophobicContact CB-CD1 3.63Å; V147-F272 HydrophobicContact CB-CE1 3.84Å; V147-F272 HydrophobicContact CB-CG 4.49Å; V147-F272 HydrophobicContact CG1-CD1 3.86Å; V147-F272 HydrophobicContact CG1-CE1 3.9Å; V147-F272 HydrophobicContact CG2-CD1 4.25Å; V147-F272 HydrophobicContact CG2-CE1 4.02Å; A260-F272 HydrophobicContact CB-CD1 3.97Å; A260-F272 HydrophobicContact CB-CE1 3.85Å; F263-F272 HydrophobicContact CB-CE1 4.05Å; F263-F272 HydrophobicContact CB-CZ 3.98Å; K270-F272 HydrophobicContact CB-CE2 4.36Å; K270-F272 HydrophobicContact CD-CE2 3.58Å; K270-F272 HydrophobicContact CD-CZ 3.78Å; K270-F272 HydrophobicContact CG-CE2 3.79Å; K270-F272 HydrophobicContact CG-CZ 4.38Å
273	V	98.3	Very high	93.9	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.055	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	101.8	172.8	-175.8	0	0	0	0	108.7	K131 I132 A135 V146 V147 V148 H149	K131-V273 HydrophobicContact CB-CG1 3.95Å; I132-V273 HydrophobicContact CG1-CB 4.37Å; I132-V273 HydrophobicContact CG1-CG1 3.88Å; I132-V273 HydrophobicContact CG1-CG2 4.44Å; A135-V273 HydrophobicContact CB-CG2 3.87Å; V146-V273 HydrophobicContact CG1-CG2 4.19Å; V147-V273 PolarHBondContact O-N 2.78Å; V148-V273 WeakPolarHBondContact CA-O 3.43Å; V148-V273 HydrophobicContact CG2-CB 4.48Å; H149-V273 PolarHBondContact N-O 3.36Å
274	L	98	Very high	93.7	Very high	75 Å²	75	58.3 Å²	58.3	39%	0.393	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	125.8	173	178.1	63.5	0	0	0	110	H149 E276	H149-L274 VanDerWaalsContact CE1-CD1 3.46Å; H149-L274 WeakPolarHBondContact CE1-CD1 2.92Å; L274-E276 VanDerWaalsContact C-N 3.3Å; L274-E276 HydrophobicContact CD2-CB 4.1Å; L274-E276 WeakPolarHBondContact CD2-OE2 3.44Å; L274-E276 HydrophobicContact CG-CB 4.02Å; L274-E276 PolarHBondContact O-N 3.26Å
275	V	96.6	Very high	93.7	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.024	29%	0.29	C	S	.	.			trans	-77.2	85	172.3	-178.9	0	0	0	0	109.2	L128 V148 H149 C154 K156 L159	L128-V275 HydrophobicContact CD1-CG1 4.07Å; V148-V275 HydrophobicContact CG1-CG2 3.61Å; H149-V275 PolarHBondContact O-N 2.91Å; C154-V275 HydrophobicContact CB-CG1 4.16Å; K156-V275 HydrophobicContact CG-CG2 3.93Å; L159-V275 HydrophobicContact CD1-CG1 3.96Å; L159-V275 HydrophobicContact CD1-CG2 3.77Å
276	E	90.3	Very high	93.7	Very high	128 Å²	128	52.3 Å²	52.3	60%	0.598	28%	0.282	S	S	*	.			trans	-131.8	134.9	176.3	-166.9	172.3	-166.1	0	0	111.3	L274	L274-E276 VanDerWaalsContact C-N 3.3Å; L274-E276 HydrophobicContact CD2-CB 4.1Å; L274-E276 WeakPolarHBondContact CD2-OE2 3.44Å; L274-E276 HydrophobicContact CG-CB 4.02Å; L274-E276 PolarHBondContact O-N 3.26Å
277	P	86.3	Confident	93.7	Very high	82 Å²	82	57.1 Å²	57.1	53%	0.532	30%	0.299	S	S	.	.	S	Bend	cis	-60	152	-5.7	27.2	-34.7	0	0	0	111.8	R125 G279	R125-P277 PolarHBondContact NH2-O 2.92Å; P277-G279 PolarHBondContact O-N 2.93Å
278	S	84.4	Confident	93.9	Very high	49 Å²	49	50 Å²	50	34%	0.343	26%	0.261	S	S	.	.	S	Bend	trans	-68.8	-24.7	180	58.4	0	0	0	0	112.2	C154 P315	C154-S278 VanDerWaalsContact CB-O 3.31Å; C154-S278 WeakPolarHBondContact CB-O 3.28Å; S278-P315 WeakPolarHBondContact O-CD 3.38Å
279	G	91.3	Very high	94.1	Very high	7 Å²	7	48.9 Å²	48.9	7%	0.072	25%	0.253	C	S	.	.	S	Bend	trans	-94.5	167.8	-179.8	0	0	0	0	0	115.2	R125 P277 G313	R125-G279 PolarHBondContact NH2-O 3.27Å; P277-G279 PolarHBondContact O-N 2.93Å; G279-G313 CarbonylContact C-O 3.55Å; G279-G313 VanDerWaalsContact CA-O 3.32Å; G279-G313 WeakPolarHBondContact CA-O 3.49Å
280	F	94.5	Very high	94.1	Very high	23 Å²	23	47.9 Å²	47.9	10%	0.101	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-66.9	148.7	157.4	-68.8	-44.3	0	0	0	110.9	V123 R125 E284 A285 F308 G313 P315 I318	V123-F280 HydrophobicContact CB-CE1 4.33Å; R125-F280 HydrophobicContact CG-CD1 4.29Å; R125-F280 HydrophobicContact CG-CE1 4.08Å; F280-E284 VanDerWaalsContact CA-OE2 3.3Å; F280-E284 WeakPolarHBondContact CA-OE2 3.31Å; F280-E284 HydrophobicContact CB-CB 3.79Å; F280-E284 HydrophobicContact CD1-CB 3.94Å; F280-E284 HydrophobicContact CG-CB 4.08Å; F280-A285 HydrophobicContact CB-CB 4.28Å; F280-F308 WeakPolarHBondContact O-CE2 3.39Å; F280-G313 PolarHBondContact N-O 3.25Å; F280-P315 HydrophobicContact CD1-CG 4.48Å; F280-P315 HydrophobicContact CD2-CB 4.26Å; F280-P315 HydrophobicContact CD2-CG 4.32Å; F280-P315 HydrophobicContact CE1-CB 4.42Å; F280-P315 HydrophobicContact CE1-CG 4.4Å; F280-P315 HydrophobicContact CE2-CB 3.76Å; F280-P315 HydrophobicContact CE2-CG 4.25Å; F280-P315 HydrophobicContact CG-CG 4.44Å; F280-P315 HydrophobicContact CZ-CB 3.84Å; F280-P315 HydrophobicContact CZ-CG 4.28Å; F280-I318 HydrophobicContact CD2-CB 4.24Å; F280-I318 HydrophobicContact CD2-CG1 4.33Å; F280-I318 HydrophobicContact CD2-CG2 4.12Å; F280-I318 HydrophobicContact CE2-CB 4.41Å; F280-I318 HydrophobicContact CE2-CG2 4.24Å
281	T	94.1	Very high	93.9	Very high	58 Å²	58	47.4 Å²	47.4	36%	0.356	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-65.2	164.6	159.3	58.2	0	0	0	0	110.5	E283 E284 A285	T281-E283 PolarHBondContact O-N 3.16Å; T281-E284 PolarHBondContact N-OE2 3.38Å; T281-E284 PolarHBondContact O-N 3.05Å; T281-E284 VanDerWaalsContact OG1-CB 3.29Å; T281-E284 WeakPolarHBondContact OG1-CB 3.39Å; T281-E284 VanDerWaalsContact OG1-CD 3.27Å; T281-E284 WeakPolarHBondContact OG1-CG 3.47Å; T281-E284 PolarHBondContact OG1-N 2.87Å; T281-E284 VanDerWaalsContact OG1-N 3.15Å; T281-E284 PolarHBondContact OG1-OE2 3.42Å; T281-E284 VanDerWaalsContact OG1-OE2 3.1Å; T281-A285 PolarHBondContact O-N 3.44Å
282	K	94.5	Very high	93.7	Very high	57 Å²	57	45.1 Å²	45.1	25%	0.248	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-45.2	176.1	-178.5	-179.4	171.2	179.4	0	110.2	A285 M286 E305 F308	K282-A285 PolarHBondContact O-N 3.4Å; K282-M286 VanDerWaalsContact O-CG 3.31Å; K282-M286 WeakPolarHBondContact O-CG 3.32Å; K282-M286 PolarHBondContact O-N 2.95Å; K282-E305 WeakPolarHBondContact CE-OE1 3.21Å; K282-E305 WeakPolarHBondContact CE-OE2 3.48Å; K282-E305 IonicContact NZ-OE1 2.69Å; K282-E305 PolarHBondContact NZ-OE1 3.05Å; K282-E305 IonicContact NZ-OE2 3.25Å; K282-E305 PolarHBondContact NZ-OE2 3.36Å; K282-F308 HydrophobicContact CB-CD1 4.29Å; K282-F308 HydrophobicContact CB-CE1 3.77Å; K282-F308 HydrophobicContact CB-CE2 4.44Å; K282-F308 HydrophobicContact CB-CZ 3.85Å; K282-F308 HydrophobicContact CG-CD1 4.2Å; K282-F308 HydrophobicContact CG-CE1 4.14Å
283	E	93.9	Very high	93.3	Very high	124 Å²	124	42.8 Å²	42.8	58%	0.579	23%	0.225	S	C	*	.	H	α-helix	trans	-64.1	-41.5	-179.5	-63.3	69.3	-151.5	0	0	111.8	T281 R287	T281-E283 PolarHBondContact O-N 3.16Å; E283-R287 WeakPolarHBondContact O-CG 3.17Å; E283-R287 PolarHBondContact O-N 3.18Å
284	E	94.5	Very high	93	Very high	24 Å²	24	49.2 Å²	49.2	11%	0.112	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-46.3	173.1	-77	167.5	159.3	0	0	111.6	V123 F280 T281 M286 R287 A288	V123-E284 HydrophobicContact CG1-CB 3.84Å; V123-E284 HydrophobicContact CG1-CG 3.79Å; F280-E284 VanDerWaalsContact CA-OE2 3.3Å; F280-E284 WeakPolarHBondContact CA-OE2 3.31Å; F280-E284 HydrophobicContact CB-CB 3.79Å; F280-E284 HydrophobicContact CD1-CB 3.94Å; F280-E284 HydrophobicContact CG-CB 4.08Å; T281-E284 PolarHBondContact N-OE2 3.38Å; T281-E284 PolarHBondContact O-N 3.05Å; T281-E284 VanDerWaalsContact OG1-CB 3.29Å; T281-E284 WeakPolarHBondContact OG1-CB 3.39Å; T281-E284 VanDerWaalsContact OG1-CD 3.27Å; T281-E284 WeakPolarHBondContact OG1-CG 3.47Å; T281-E284 PolarHBondContact OG1-N 2.87Å; T281-E284 VanDerWaalsContact OG1-N 3.15Å; T281-E284 PolarHBondContact OG1-OE2 3.42Å; T281-E284 VanDerWaalsContact OG1-OE2 3.1Å; E284-M286 VanDerWaalsContact C-N 3.35Å; E284-M286 PolarHBondContact O-N 3.28Å; E284-R287 PolarHBondContact O-N 3.43Å; E284-A288 PolarHBondContact O-N 3.39Å
285	A	94.9	Very high	92.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-41	178.4	0	0	0	0	0	112.1	F280 T281 K282 A288 F289 F308 I318	F280-A285 HydrophobicContact CB-CB 4.28Å; T281-A285 PolarHBondContact O-N 3.44Å; K282-A285 PolarHBondContact O-N 3.4Å; A285-A288 WeakPolarHBondContact O-CB 3.49Å; A285-A288 PolarHBondContact O-N 3.35Å; A285-F289 WeakPolarHBondContact O-CD2 3.27Å; A285-F289 PolarHBondContact O-N 2.79Å; A285-F308 HydrophobicContact CB-CB 4.39Å; A285-F308 HydrophobicContact CB-CD2 3.4Å; A285-F308 VanDerWaalsContact CB-CD2 3.4Å; A285-F308 HydrophobicContact CB-CE2 4.04Å; A285-F308 HydrophobicContact CB-CG 4.2Å; A285-I318 HydrophobicContact CB-CD1 4.43Å
286	M	95.3	Very high	92.5	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-41.9	175.9	-67.4	-48.8	100.3	0	0	111.5	K282 E284 A288 F289 S290 L300 A304 E305 F308	K282-M286 VanDerWaalsContact O-CG 3.31Å; K282-M286 WeakPolarHBondContact O-CG 3.32Å; K282-M286 PolarHBondContact O-N 2.95Å; E284-M286 VanDerWaalsContact C-N 3.35Å; E284-M286 PolarHBondContact O-N 3.28Å; M286-A288 VanDerWaalsContact C-N 3.28Å; M286-A288 PolarHBondContact O-N 2.84Å; M286-F289 HydrophobicContact CE-CD2 3.86Å; M286-F289 HydrophobicContact CE-CE2 4.13Å; M286-F289 PolarHBondContact O-N 3.07Å; M286-S290 WeakPolarHBondContact O-CB 3.2Å; M286-S290 PolarHBondContact O-N 2.57Å; M286-L300 HydrophobicContact CB-CD1 4.06Å; M286-L300 VanDerWaalsContact O-CD1 3.27Å; M286-L300 WeakPolarHBondContact O-CD1 3.34Å; M286-L300 HydrophobicContact SD-CD1 3.99Å; M286-A304 HydrophobicContact CE-CB 4.34Å; M286-A304 HydrophobicContact SD-CB 4.07Å; M286-E305 HydrophobicContact CE-CG 4.46Å; M286-E305 HydrophobicContact SD-CG 4.09Å; M286-F308 HydrophobicContact CE-CB 3.94Å
287	R	94.6	Very high	92.5	Very high	115 Å²	115	49.1 Å²	49.1	43%	0.434	27%	0.268	S	S	.	.	H	α-helix	trans	-60.9	-38.3	173	-75.5	-174.2	-70.5	145.1	-5.6	112.1	V123 E283 E284 S290 S291	V123-R287 HydrophobicContact CG1-CB 4.48Å; V123-R287 HydrophobicContact CG2-CB 4.19Å; E283-R287 WeakPolarHBondContact O-CG 3.17Å; E283-R287 PolarHBondContact O-N 3.18Å; E284-R287 PolarHBondContact O-N 3.43Å; R287-S290 WeakPolarHBondContact O-CB 3.37Å; R287-S291 PolarHBondContact O-N 2.9Å
288	A	94	Very high	92.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-54.2	176.9	0	0	0	0	0	110.8	V123 E284 A285 M286 S290 S291 W292 I318	V123-A288 HydrophobicContact CG2-CB 3.52Å; E284-A288 PolarHBondContact O-N 3.39Å; A285-A288 WeakPolarHBondContact O-CB 3.49Å; A285-A288 PolarHBondContact O-N 3.35Å; M286-A288 VanDerWaalsContact C-N 3.28Å; M286-A288 PolarHBondContact O-N 2.84Å; A288-S290 VanDerWaalsContact C-N 3.32Å; A288-S290 PolarHBondContact O-N 3.28Å; A288-S291 WeakPolarHBondContact O-CB 3.18Å; A288-S291 PolarHBondContact O-N 2.83Å; A288-W292 VanDerWaalsContact C-CZ3 3.43Å; A288-W292 HydrophobicContact CB-CE3 4.13Å; A288-W292 HydrophobicContact CB-CH2 3.79Å; A288-W292 HydrophobicContact CB-CZ3 3.31Å; A288-W292 PolarHBondContact O-N 3.23Å; A288-W292 VanDerWaalsContact O-N 3.16Å; A288-I318 HydrophobicContact CB-CG2 4.22Å
289	F	94.7	Very high	93.1	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-56.5	-44	175.9	-71.1	-53.1	0	0	0	112.8	A285 M286 S291 W292 L293 L300 A304 I307 I318 V321	A285-F289 WeakPolarHBondContact O-CD2 3.27Å; A285-F289 PolarHBondContact O-N 2.79Å; M286-F289 HydrophobicContact CE-CD2 3.86Å; M286-F289 HydrophobicContact CE-CE2 4.13Å; M286-F289 PolarHBondContact O-N 3.07Å; F289-S291 VanDerWaalsContact C-N 3.28Å; F289-S291 PolarHBondContact O-N 3.47Å; F289-W292 HydrophobicContact CD1-CE3 4.28Å; F289-W292 PolarHBondContact O-N 3.45Å; F289-L293 WeakPolarHBondContact O-CB 3.19Å; F289-L293 WeakPolarHBondContact O-CG 3.47Å; F289-L293 PolarHBondContact O-N 3.12Å; F289-L300 HydrophobicContact CB-CD1 4.02Å; F289-L300 HydrophobicContact CB-CD2 4.19Å; F289-A304 HydrophobicContact CD2-CB 4.06Å; F289-A304 HydrophobicContact CG-CB 4.47Å; F289-I307 HydrophobicContact CE1-CG2 4.34Å; F289-I307 HydrophobicContact CE2-CG2 4.41Å; F289-I307 HydrophobicContact CZ-CB 4.21Å; F289-I307 HydrophobicContact CZ-CG2 3.6Å; F289-I318 HydrophobicContact CE1-CG2 4.24Å; F289-I318 HydrophobicContact CE2-CD1 4.02Å; F289-I318 HydrophobicContact CE2-CG2 4.29Å; F289-I318 HydrophobicContact CZ-CD1 3.76Å; F289-I318 HydrophobicContact CZ-CG2 3.94Å; F289-V321 HydrophobicContact CE1-CB 4.49Å; F289-V321 HydrophobicContact CE1-CG1 4.35Å
290	S	93.9	Very high	93.2	Very high	21 Å²	21	57.9 Å²	57.9	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-54.1	-44.1	174.4	169.9	0	0	0	0	111.9	M286 R287 A288 N294 V295 P297	M286-S290 WeakPolarHBondContact O-CB 3.2Å; M286-S290 PolarHBondContact O-N 2.57Å; R287-S290 WeakPolarHBondContact O-CB 3.37Å; A288-S290 VanDerWaalsContact C-N 3.32Å; A288-S290 PolarHBondContact O-N 3.28Å; S290-N294 VanDerWaalsContact O-CA 3.32Å; S290-N294 WeakPolarHBondContact O-CA 3.18Å; S290-N294 PolarHBondContact O-N 3.36Å; S290-V295 VanDerWaalsContact CA-O 3.31Å; S290-V295 WeakPolarHBondContact CA-O 3.32Å; S290-V295 WeakPolarHBondContact CB-O 3.42Å; S290-V295 PolarHBondContact O-N 3.3Å; S290-V295 PolarHBondContact OG-O 3.39Å; S290-P297 WeakPolarHBondContact OG-CD 3.36Å
291	S	92.8	Very high	93.1	Very high	64 Å²	64	60 Å²	60	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-42.7	178.1	-175.3	0	0	0	0	113.2	R287 A288 F289	R287-S291 PolarHBondContact O-N 2.9Å; A288-S291 WeakPolarHBondContact O-CB 3.18Å; A288-S291 PolarHBondContact O-N 2.83Å; F289-S291 VanDerWaalsContact C-N 3.28Å; F289-S291 PolarHBondContact O-N 3.47Å
292	W	91.9	Very high	93.1	Very high	6 Å²	6	67.2 Å²	67.2	2%	0.023	34%	0.34	C	S	.	.	H	α-helix	trans	-69.9	-43.4	177.3	-73.9	-66.5	0	0	0	112.4	Q120 A288 F289 N294 I318 S319 G322 K326 K329	Q120-W292 WeakPolarHBondContact O-CZ2 3.31Å; Q120-W292 PolarHBondContact O-NE1 3.44Å; A288-W292 VanDerWaalsContact C-CZ3 3.43Å; A288-W292 HydrophobicContact CB-CE3 4.13Å; A288-W292 HydrophobicContact CB-CH2 3.79Å; A288-W292 HydrophobicContact CB-CZ3 3.31Å; A288-W292 PolarHBondContact O-N 3.23Å; A288-W292 VanDerWaalsContact O-N 3.16Å; F289-W292 HydrophobicContact CD1-CE3 4.28Å; F289-W292 PolarHBondContact O-N 3.45Å; W292-N294 VanDerWaalsContact C-N 3.35Å; W292-I318 HydrophobicContact CH2-CG2 4.38Å; W292-I318 HydrophobicContact CZ3-CG2 3.99Å; W292-S319 VanDerWaalsContact CH2-CA 3.4Å; W292-G322 WeakPolarHBondContact CB-O 3.2Å; W292-K326 HydrophobicContact CB-CB 4.35Å; W292-K329 WeakPolarHBondContact O-CE 3.31Å; W292-K329 PolarHBondContact O-NZ 3.42Å
293	L	90.8	Very high	93	Very high	33 Å²	33	69.7 Å²	69.7	17%	0.173	35%	0.352	C	S	.	.	H	α-helix	trans	-79.2	-18.5	-176.3	-65.3	179	0	0	0	113.1	F289 V295 L300 L325 K329	F289-L293 WeakPolarHBondContact O-CB 3.19Å; F289-L293 WeakPolarHBondContact O-CG 3.47Å; F289-L293 PolarHBondContact O-N 3.12Å; L293-V295 VanDerWaalsContact C-N 3.3Å; L293-V295 HydrophobicContact CB-CB 4.28Å; L293-V295 HydrophobicContact CB-CG2 4.01Å; L293-L300 HydrophobicContact CD1-CD2 3.77Å; L293-L325 HydrophobicContact CD2-CB 3.85Å; L293-K329 PolarHBondContact O-NZ 3.11Å
294	N	91.2	Very high	93.1	Very high	145 Å²	145	64 Å²	64	78%	0.775	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	44.6	-171.1	-164	44.2	0	0	0	111.6	S290 W292	S290-N294 VanDerWaalsContact O-CA 3.32Å; S290-N294 WeakPolarHBondContact O-CA 3.18Å; S290-N294 PolarHBondContact O-N 3.36Å; W292-N294 VanDerWaalsContact C-N 3.35Å
295	V	91.7	Very high	93.1	Very high	53 Å²	53	66.7 Å²	66.7	32%	0.321	34%	0.339	S	S	.	.			trans	-127.6	139	-178.5	177	0	0	0	0	108	S290 L293 R299 L300	S290-V295 VanDerWaalsContact CA-O 3.31Å; S290-V295 WeakPolarHBondContact CA-O 3.32Å; S290-V295 WeakPolarHBondContact CB-O 3.42Å; S290-V295 PolarHBondContact O-N 3.3Å; S290-V295 PolarHBondContact OG-O 3.39Å; L293-V295 VanDerWaalsContact C-N 3.3Å; L293-V295 HydrophobicContact CB-CB 4.28Å; L293-V295 HydrophobicContact CB-CG2 4.01Å; V295-R299 HydrophobicContact CG1-CB 3.66Å; V295-L300 HydrophobicContact CB-CD2 4.4Å
296	D	92.2	Very high	93.1	Very high	93 Å²	93	72.3 Å²	72.3	50%	0.497	37%	0.365	S	S	.	.			trans	-54.2	136	174.8	-172.4	-65.2	0	0	0	110.8	A298 R299 L300	D296-A298 PolarHBondContact O-N 3.5Å; D296-A298 VanDerWaalsContact O-N 3.07Å; D296-A298 VanDerWaalsContact OD1-CB 3.32Å; D296-A298 WeakPolarHBondContact OD1-CB 3.4Å; D296-A298 PolarHBondContact OD1-N 3.47Å; D296-R299 HydrophobicContact CB-CB 4.39Å; D296-R299 HydrophobicContact CB-CG 4.22Å; D296-R299 WeakPolarHBondContact O-CA 3.3Å; D296-R299 PolarHBondContact O-N 2.82Å; D296-L300 PolarHBondContact O-N 3.44Å
297	P	90.8	Very high	93.1	Very high	58 Å²	58	73.3 Å²	73.3	38%	0.377	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-50.5	-33.7	178.7	-26.9	34.5	0	0	0	114.2	S290 R299 L300	S290-P297 WeakPolarHBondContact OG-CD 3.36Å; P297-R299 VanDerWaalsContact C-N 3.25Å; P297-R299 PolarHBondContact O-N 3.24Å; P297-L300 PolarHBondContact O-N 3.33Å
298	A	91	Very high	93.2	Very high	95 Å²	95	69 Å²	69	79%	0.785	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-73.7	-13.7	178.2	0	0	0	0	0	113.9	D296	D296-A298 PolarHBondContact O-N 3.5Å; D296-A298 VanDerWaalsContact O-N 3.07Å; D296-A298 VanDerWaalsContact OD1-CB 3.32Å; D296-A298 WeakPolarHBondContact OD1-CB 3.4Å; D296-A298 PolarHBondContact OD1-N 3.47Å
299	R	93.5	Very high	93.3	Very high	204 Å²	204	75.9 Å²	75.9	77%	0.77	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-106.2	4.7	178.8	-63.8	-176.7	-178.5	-176.7	0.9	112.9	V295 D296 P297	V295-R299 HydrophobicContact CG1-CB 3.66Å; D296-R299 HydrophobicContact CB-CB 4.39Å; D296-R299 HydrophobicContact CB-CG 4.22Å; D296-R299 WeakPolarHBondContact O-CA 3.3Å; D296-R299 PolarHBondContact O-N 2.82Å; P297-R299 VanDerWaalsContact C-N 3.25Å; P297-R299 PolarHBondContact O-N 3.24Å
300	L	92.9	Very high	93.4	Very high	24 Å²	24	83.6 Å²	83.6	13%	0.126	42%	0.418	C	S	.	.			trans	-63.5	142	176.3	-74.1	172.5	0	0	0	110.6	M286 F289 L293 V295 D296 P297 A304	M286-L300 HydrophobicContact CB-CD1 4.06Å; M286-L300 VanDerWaalsContact O-CD1 3.27Å; M286-L300 WeakPolarHBondContact O-CD1 3.34Å; M286-L300 HydrophobicContact SD-CD1 3.99Å; F289-L300 HydrophobicContact CB-CD1 4.02Å; F289-L300 HydrophobicContact CB-CD2 4.19Å; L293-L300 HydrophobicContact CD1-CD2 3.77Å; V295-L300 HydrophobicContact CB-CD2 4.4Å; D296-L300 PolarHBondContact O-N 3.44Å; P297-L300 PolarHBondContact O-N 3.33Å; L300-A304 HydrophobicContact CB-CB 4.16Å
301	P	92.4	Very high	93.4	Very high	66 Å²	66	83.4 Å²	83.4	43%	0.429	42%	0.417	S	S	.	.			trans	-64.8	154.8	176.4	31	-36.9	0	0	0	110.4	E303 A304	P301-E303 VanDerWaalsContact CB-OE2 3.31Å; P301-E303 WeakPolarHBondContact CB-OE2 3.43Å; P301-E303 PolarHBondContact O-N 3.47Å; P301-E303 VanDerWaalsContact O-N 3.14Å; P301-A304 VanDerWaalsContact O-CB 3.29Å; P301-A304 WeakPolarHBondContact O-CB 3.45Å; P301-A304 PolarHBondContact O-N 3.06Å
302	R	93.3	Very high	93.5	Very high	211 Å²	211	89 Å²	89	80%	0.796	43%	0.433	S	S	*	.	H	α-helix	trans	-60.7	-27.2	-177.9	-69.8	-177.2	176.3	179.8	-0.9	112	A304 E305 Q306	R302-A304 PolarHBondContact O-N 2.95Å; R302-E305 WeakPolarHBondContact O-CB 3.17Å; R302-E305 PolarHBondContact O-N 3.17Å; R302-Q306 PolarHBondContact O-N 3.29Å; R302-Q306 VanDerWaalsContact O-N 3.16Å
303	E	93.7	Very high	93.6	Very high	109 Å²	109	88.7 Å²	88.7	51%	0.509	43%	0.432	S	S	.	.	H	α-helix	trans	-55.8	-32.2	173.9	-68.3	77.1	-179.3	0	0	111.7	P301 E305 Q306 I307	P301-E303 VanDerWaalsContact CB-OE2 3.31Å; P301-E303 WeakPolarHBondContact CB-OE2 3.43Å; P301-E303 PolarHBondContact O-N 3.47Å; P301-E303 VanDerWaalsContact O-N 3.14Å; E303-E305 VanDerWaalsContact C-N 3.34Å; E303-E305 PolarHBondContact O-N 2.9Å; E303-Q306 PolarHBondContact O-N 3.48Å; E303-I307 WeakPolarHBondContact O-CB 3.48Å; E303-I307 WeakPolarHBondContact O-CD1 3.45Å; E303-I307 WeakPolarHBondContact O-CG1 3.37Å; E303-I307 PolarHBondContact O-N 3Å
304	A	94.4	Very high	93.8	Very high	5 Å²	5	88.6 Å²	88.6	4%	0.041	43%	0.43	C	S	.	.	H	α-helix	trans	-62.1	-42.2	175.3	0	0	0	0	0	111.6	M286 F289 L300 P301 R302 F308	M286-A304 HydrophobicContact CE-CB 4.34Å; M286-A304 HydrophobicContact SD-CB 4.07Å; F289-A304 HydrophobicContact CD2-CB 4.06Å; F289-A304 HydrophobicContact CG-CB 4.47Å; L300-A304 HydrophobicContact CB-CB 4.16Å; P301-A304 VanDerWaalsContact O-CB 3.29Å; P301-A304 WeakPolarHBondContact O-CB 3.45Å; P301-A304 PolarHBondContact O-N 3.06Å; R302-A304 PolarHBondContact O-N 2.95Å; A304-F308 PolarHBondContact O-N 2.99Å
305	E	95.4	Very high	93.9	Very high	79 Å²	79	82.1 Å²	82.1	37%	0.369	40%	0.396	S	S	.	.	H	α-helix	trans	-67.8	-40	174.9	-61.7	-162.9	175	0	0	111.7	K282 M286 R302 E303 F308 Y309	K282-E305 WeakPolarHBondContact CE-OE1 3.21Å; K282-E305 WeakPolarHBondContact CE-OE2 3.48Å; K282-E305 IonicContact NZ-OE1 2.69Å; K282-E305 PolarHBondContact NZ-OE1 3.05Å; K282-E305 IonicContact NZ-OE2 3.25Å; K282-E305 PolarHBondContact NZ-OE2 3.36Å; M286-E305 HydrophobicContact CE-CG 4.46Å; M286-E305 HydrophobicContact SD-CG 4.09Å; R302-E305 WeakPolarHBondContact O-CB 3.17Å; R302-E305 PolarHBondContact O-N 3.17Å; E303-E305 VanDerWaalsContact C-N 3.34Å; E303-E305 PolarHBondContact O-N 2.9Å; E305-F308 WeakPolarHBondContact O-CB 3.3Å; E305-F308 PolarHBondContact O-N 3.16Å; E305-Y309 WeakPolarHBondContact O-CD2 3.29Å; E305-Y309 PolarHBondContact O-N 3.19Å; E305-Y309 VanDerWaalsContact O-N 3.1Å
306	Q	95.5	Very high	94.1	Very high	119 Å²	119	85.6 Å²	85.6	56%	0.556	41%	0.407	S	S	*	.	H	α-helix	trans	-60.6	-48	176.5	-67.6	175	-17.8	0	0	111.1	R302 E303 F308 Y309 E310	R302-Q306 PolarHBondContact O-N 3.29Å; R302-Q306 VanDerWaalsContact O-N 3.16Å; E303-Q306 PolarHBondContact O-N 3.48Å; Q306-F308 VanDerWaalsContact C-N 3.26Å; Q306-F308 PolarHBondContact O-N 3.1Å; Q306-Y309 PolarHBondContact O-N 2.96Å; Q306-Y309 VanDerWaalsContact O-N 3.15Å; Q306-E310 WeakPolarHBondContact O-CG 3.08Å; Q306-E310 PolarHBondContact O-N 3.46Å
307	I	95.5	Very high	94.2	Very high	39 Å²	39	84.5 Å²	84.5	20%	0.2	40%	0.401	C	S	.	.	H	α-helix	trans	-58.3	-40.4	175.7	-67.4	159.4	0	0	0	110.6	F289 E303 Y309 E310 C311 V321 L325	F289-I307 HydrophobicContact CE1-CG2 4.34Å; F289-I307 HydrophobicContact CE2-CG2 4.41Å; F289-I307 HydrophobicContact CZ-CB 4.21Å; F289-I307 HydrophobicContact CZ-CG2 3.6Å; E303-I307 WeakPolarHBondContact O-CB 3.48Å; E303-I307 WeakPolarHBondContact O-CD1 3.45Å; E303-I307 WeakPolarHBondContact O-CG1 3.37Å; E303-I307 PolarHBondContact O-N 3Å; I307-Y309 PolarHBondContact O-N 3.35Å; I307-E310 PolarHBondContact O-N 3.07Å; I307-C311 VanDerWaalsContact O-CB 3.24Å; I307-C311 WeakPolarHBondContact O-CB 3.45Å; I307-C311 PolarHBondContact O-N 3.45Å; I307-C311 PolarHBondContact O-SG 2.89Å; I307-V321 HydrophobicContact CD1-CG1 3.86Å; I307-V321 HydrophobicContact CG1-CG1 4.45Å; I307-V321 HydrophobicContact CG2-CB 4.18Å; I307-V321 HydrophobicContact CG2-CG1 3.83Å; I307-V321 HydrophobicContact CG2-CG2 4.2Å; I307-L325 HydrophobicContact CD1-CD1 4.35Å
308	F	96	Very high	94.4	Very high	24 Å²	24	81.7 Å²	81.7	11%	0.105	38%	0.383	C	S	.	.	H	α-helix	trans	-58	-47.6	176.2	163.8	-99.7	0	0	0	112.3	F280 K282 A285 M286 A304 E305 Q306 C311 K312 G313	F280-F308 WeakPolarHBondContact O-CE2 3.39Å; K282-F308 HydrophobicContact CB-CD1 4.29Å; K282-F308 HydrophobicContact CB-CE1 3.77Å; K282-F308 HydrophobicContact CB-CE2 4.44Å; K282-F308 HydrophobicContact CB-CZ 3.85Å; K282-F308 HydrophobicContact CG-CD1 4.2Å; K282-F308 HydrophobicContact CG-CE1 4.14Å; A285-F308 HydrophobicContact CB-CB 4.39Å; A285-F308 HydrophobicContact CB-CD2 3.4Å; A285-F308 VanDerWaalsContact CB-CD2 3.4Å; A285-F308 HydrophobicContact CB-CE2 4.04Å; A285-F308 HydrophobicContact CB-CG 4.2Å; M286-F308 HydrophobicContact CE-CB 3.94Å; A304-F308 PolarHBondContact O-N 2.99Å; E305-F308 WeakPolarHBondContact O-CB 3.3Å; E305-F308 PolarHBondContact O-N 3.16Å; Q306-F308 VanDerWaalsContact C-N 3.26Å; Q306-F308 PolarHBondContact O-N 3.1Å; F308-C311 PolarHBondContact O-N 3.2Å; F308-K312 WeakPolarHBondContact O-CA 3.42Å; F308-K312 PolarHBondContact O-N 2.71Å; F308-G313 PolarHBondContact O-N 3.41Å
309	Y	96.3	Very high	94.6	Very high	145 Å²	145	79 Å²	79	57%	0.569	36%	0.358	S	S	*	.	H	α-helix	trans	-67.1	-41	179.1	-71.3	-64.2	0	0	0	112.3	E305 Q306 I307 K312	E305-Y309 WeakPolarHBondContact O-CD2 3.29Å; E305-Y309 PolarHBondContact O-N 3.19Å; E305-Y309 VanDerWaalsContact O-N 3.1Å; Q306-Y309 PolarHBondContact O-N 2.96Å; Q306-Y309 VanDerWaalsContact O-N 3.15Å; I307-Y309 PolarHBondContact O-N 3.35Å; Y309-K312 PolarHBondContact O-N 2.96Å
310	E	95.9	Very high	94.6	Very high	162 Å²	162	73.1 Å²	73.1	76%	0.757	34%	0.341	S	S	*	.	H	α-helix	trans	-63.2	-42.7	175.6	-69.7	-61.3	159.2	0	0	112	Q306 I307 K312	Q306-E310 WeakPolarHBondContact O-CG 3.08Å; Q306-E310 PolarHBondContact O-N 3.46Å; I307-E310 PolarHBondContact O-N 3.07Å; E310-K312 PolarHBondContact O-N 2.91Å
311	C	94.2	Very high	94.7	Very high	18 Å²	18	73.8 Å²	73.8	12%	0.122	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.1	177.2	-63.5	0	0	0	0	113.2	I307 F308 G313 H314 L317 I318	I307-C311 VanDerWaalsContact O-CB 3.24Å; I307-C311 WeakPolarHBondContact O-CB 3.45Å; I307-C311 PolarHBondContact O-N 3.45Å; I307-C311 PolarHBondContact O-SG 2.89Å; F308-C311 PolarHBondContact O-N 3.2Å; C311-G313 PolarHBondContact O-N 3.14Å; C311-G313 VanDerWaalsContact O-N 3.16Å; C311-H314 WeakPolarHBondContact O-CB 3.41Å; C311-H314 PolarHBondContact O-N 3.1Å; C311-L317 HydrophobicContact CB-CB 3.97Å; C311-L317 HydrophobicContact CB-CD1 4.32Å; C311-I318 HydrophobicContact CB-CD1 3.74Å; C311-I318 HydrophobicContact CB-CG1 4.24Å
312	K	94.2	Very high	94.7	Very high	181 Å²	181	70.7 Å²	70.7	79%	0.787	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	36.7	-171.2	-57	179.9	-178.3	178.5	0	112.9	F308 Y309 E310 H314	F308-K312 WeakPolarHBondContact O-CA 3.42Å; F308-K312 PolarHBondContact O-N 2.71Å; Y309-K312 PolarHBondContact O-N 2.96Å; E310-K312 PolarHBondContact O-N 2.91Å; K312-H314 PolarHBondContact O-N 2.98Å
313	G	93.9	Very high	94.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	10.2	-175.5	0	0	0	0	0	115.7	G279 F280 F308 C311 P315	G279-G313 CarbonylContact C-O 3.55Å; G279-G313 VanDerWaalsContact CA-O 3.32Å; G279-G313 WeakPolarHBondContact CA-O 3.49Å; F280-G313 PolarHBondContact N-O 3.25Å; F308-G313 PolarHBondContact O-N 3.41Å; C311-G313 PolarHBondContact O-N 3.14Å; C311-G313 VanDerWaalsContact O-N 3.16Å; G313-P315 WeakPolarHBondContact O-CD 3.44Å
314	H	94.8	Very high	94.6	Very high	31 Å²	31	61.2 Å²	61.2	14%	0.144	30%	0.298	C	S	.	.			trans	-60.6	118.3	-174.8	-169.3	-75.6	0	0	0	111.8	S152 G153 C311 K312 F316 L317 I318	S152-H314 PolarHBondContact O-CE1 3.13Å; S152-H314 PolarHBondContact O-NE2 3.35Å; S152-H314 VanDerWaalsContact O-NE2 3.11Å; G153-H314 PolarHBondContact O-CE1 3.17Å; C311-H314 WeakPolarHBondContact O-CB 3.41Å; C311-H314 PolarHBondContact O-N 3.1Å; K312-H314 PolarHBondContact O-N 2.98Å; H314-F316 VanDerWaalsContact C-N 3.34Å; H314-F316 PolarHBondContact O-N 2.86Å; H314-L317 HydrophobicContact CB-CB 4.34Å; H314-L317 HydrophobicContact CB-CD1 4.08Å; H314-L317 HydrophobicContact CB-CG 4.22Å; H314-L317 PolarHBondContact O-N 2.96Å; H314-I318 WeakPolarHBondContact O-CG1 3.45Å; H314-I318 PolarHBondContact O-N 3.42Å
315	P	94.9	Very high	94.5	Very high	9 Å²	9	64.2 Å²	64.2	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-39.6	-166.1	-29	38.2	0	0	0	114.3	S278 F280 G313 S319	S278-P315 WeakPolarHBondContact O-CD 3.38Å; F280-P315 HydrophobicContact CD1-CG 4.48Å; F280-P315 HydrophobicContact CD2-CB 4.26Å; F280-P315 HydrophobicContact CD2-CG 4.32Å; F280-P315 HydrophobicContact CE1-CB 4.42Å; F280-P315 HydrophobicContact CE1-CG 4.4Å; F280-P315 HydrophobicContact CE2-CB 3.76Å; F280-P315 HydrophobicContact CE2-CG 4.25Å; F280-P315 HydrophobicContact CG-CG 4.44Å; F280-P315 HydrophobicContact CZ-CB 3.84Å; F280-P315 HydrophobicContact CZ-CG 4.28Å; G313-P315 WeakPolarHBondContact O-CD 3.44Å; P315-S319 VanDerWaalsContact O-CB 3.3Å; P315-S319 WeakPolarHBondContact O-CB 3.24Å; P315-S319 PolarHBondContact O-N 3.49Å; P315-S319 PolarHBondContact O-OG 2.95Å
316	F	94.6	Very high	94.2	Very high	125 Å²	125	64.6 Å²	64.6	55%	0.548	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-44.8	175	176.9	-101	0	0	0	112.9	G153 H314 S319 L320	G153-F316 PolarHBondContact O-N 3.39Å; H314-F316 VanDerWaalsContact C-N 3.34Å; H314-F316 PolarHBondContact O-N 2.86Å; F316-S319 PolarHBondContact O-N 3.32Å; F316-L320 WeakPolarHBondContact O-CB 3.37Å; F316-L320 PolarHBondContact O-N 3.16Å
317	L	95.4	Very high	93.7	Very high	70 Å²	70	65.7 Å²	65.7	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-70.5	-45	-178	-63.9	-179.6	0	0	0	110.9	C311 H314 S319 L320 V321	C311-L317 HydrophobicContact CB-CB 3.97Å; C311-L317 HydrophobicContact CB-CD1 4.32Å; H314-L317 HydrophobicContact CB-CB 4.34Å; H314-L317 HydrophobicContact CB-CD1 4.08Å; H314-L317 HydrophobicContact CB-CG 4.22Å; H314-L317 PolarHBondContact O-N 2.96Å; L317-S319 VanDerWaalsContact C-N 3.26Å; L317-S319 PolarHBondContact O-N 3.05Å; L317-L320 PolarHBondContact O-N 3.25Å; L317-V321 WeakPolarHBondContact O-CG2 3.41Å; L317-V321 PolarHBondContact O-N 3.15Å
318	I	95.2	Very high	93.3	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-56.5	-43.8	174.7	-64	-64.5	0	0	0	110.5	F280 A285 A288 F289 W292 C311 H314 G322	F280-I318 HydrophobicContact CD2-CB 4.24Å; F280-I318 HydrophobicContact CD2-CG1 4.33Å; F280-I318 HydrophobicContact CD2-CG2 4.12Å; F280-I318 HydrophobicContact CE2-CB 4.41Å; F280-I318 HydrophobicContact CE2-CG2 4.24Å; A285-I318 HydrophobicContact CB-CD1 4.43Å; A288-I318 HydrophobicContact CB-CG2 4.22Å; F289-I318 HydrophobicContact CE1-CG2 4.24Å; F289-I318 HydrophobicContact CE2-CD1 4.02Å; F289-I318 HydrophobicContact CE2-CG2 4.29Å; F289-I318 HydrophobicContact CZ-CD1 3.76Å; F289-I318 HydrophobicContact CZ-CG2 3.94Å; W292-I318 HydrophobicContact CH2-CG2 4.38Å; W292-I318 HydrophobicContact CZ3-CG2 3.99Å; C311-I318 HydrophobicContact CB-CD1 3.74Å; C311-I318 HydrophobicContact CB-CG1 4.24Å; H314-I318 WeakPolarHBondContact O-CG1 3.45Å; H314-I318 PolarHBondContact O-N 3.42Å; I318-G322 PolarHBondContact O-N 3.37Å
319	S	93.7	Very high	92.1	Very high	37 Å²	37	72.4 Å²	72.4	26%	0.259	35%	0.347	S	S	.	.	H	α-helix	trans	-67	-41.2	178.8	-55.3	0	0	0	0	113.1	W292 P315 F316 L317 G322 S323	W292-S319 VanDerWaalsContact CH2-CA 3.4Å; P315-S319 VanDerWaalsContact O-CB 3.3Å; P315-S319 WeakPolarHBondContact O-CB 3.24Å; P315-S319 PolarHBondContact O-N 3.49Å; P315-S319 PolarHBondContact O-OG 2.95Å; F316-S319 PolarHBondContact O-N 3.32Å; L317-S319 VanDerWaalsContact C-N 3.26Å; L317-S319 PolarHBondContact O-N 3.05Å; S319-G322 PolarHBondContact O-N 3.06Å; S319-S323 PolarHBondContact O-N 2.86Å; S319-S323 PolarHBondContact O-OG 3.19Å; S319-S323 VanDerWaalsContact O-OG 3.14Å
320	L	94.2	Very high	90.2	Very high	82 Å²	82	71 Å²	71	43%	0.429	36%	0.359	S	S	.	.	H	α-helix	trans	-61.9	-48.6	176.7	178	64.1	0	0	0	111.4	F316 L317 S323 L324	F316-L320 WeakPolarHBondContact O-CB 3.37Å; F316-L320 PolarHBondContact O-N 3.16Å; L317-L320 PolarHBondContact O-N 3.25Å; L320-S323 PolarHBondContact O-N 3.23Å; L320-S323 PolarHBondContact O-OG 3.14Å; L320-L324 HydrophobicContact CD1-CD1 4.35Å; L320-L324 HydrophobicContact CG-CD1 4.25Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 3.27Å
321	V	94.2	Very high	87.6	Confident	38 Å²	38	76.1 Å²	76.1	23%	0.23	37%	0.371	C	S	.	.	H	α-helix	trans	-64.7	-45.1	178.2	178.6	0	0	0	0	110.3	F289 I307 L317 S323 L324 L325	F289-V321 HydrophobicContact CE1-CB 4.49Å; F289-V321 HydrophobicContact CE1-CG1 4.35Å; I307-V321 HydrophobicContact CD1-CG1 3.86Å; I307-V321 HydrophobicContact CG1-CG1 4.45Å; I307-V321 HydrophobicContact CG2-CB 4.18Å; I307-V321 HydrophobicContact CG2-CG1 3.83Å; I307-V321 HydrophobicContact CG2-CG2 4.2Å; L317-V321 WeakPolarHBondContact O-CG2 3.41Å; L317-V321 PolarHBondContact O-N 3.15Å; V321-S323 VanDerWaalsContact C-N 3.33Å; V321-S323 PolarHBondContact O-N 2.96Å; V321-L324 PolarHBondContact O-N 2.92Å; V321-L325 HydrophobicContact CG1-CD1 3.91Å; V321-L325 HydrophobicContact CG1-CG 4.14Å; V321-L325 VanDerWaalsContact O-CG 3.3Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 3.2Å
322	G	93.2	Very high	87.2	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-57.1	-42.3	176.5	0	0	0	0	0	113.5	W292 I318 S319 K326	W292-G322 WeakPolarHBondContact CB-O 3.2Å; I318-G322 PolarHBondContact O-N 3.37Å; S319-G322 PolarHBondContact O-N 3.06Å; G322-K326 PolarHBondContact O-N 3.4Å; G322-K326 VanDerWaalsContact O-N 3.1Å
323	S	92.1	Very high	86.9	Confident	42 Å²	42	73.7 Å²	73.7	29%	0.294	36%	0.363	S	S	.	.	H	α-helix	trans	-66.3	-42.4	175.6	56.3	0	0	0	0	112.7	S319 L320 V321 K326 E327	S319-S323 PolarHBondContact O-N 2.86Å; S319-S323 PolarHBondContact O-OG 3.19Å; S319-S323 VanDerWaalsContact O-OG 3.14Å; L320-S323 PolarHBondContact O-N 3.23Å; L320-S323 PolarHBondContact O-OG 3.14Å; V321-S323 VanDerWaalsContact C-N 3.33Å; V321-S323 PolarHBondContact O-N 2.96Å; S323-K326 WeakPolarHBondContact O-CB 3.38Å; S323-K326 PolarHBondContact O-N 3.11Å; S323-E327 PolarHBondContact O-N 2.82Å; S323-E327 VanDerWaalsContact O-N 3.16Å
324	L	93.4	Very high	86.5	Confident	80 Å²	80	77.8 Å²	77.8	42%	0.419	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-43.2	178	-71.3	169.9	0	0	0	111.7	L320 V321 K326 E327 H328	L320-L324 HydrophobicContact CD1-CD1 4.35Å; L320-L324 HydrophobicContact CG-CD1 4.25Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 3.27Å; V321-L324 PolarHBondContact O-N 2.92Å; L324-K326 VanDerWaalsContact C-N 3.28Å; L324-K326 PolarHBondContact O-N 3.22Å; L324-E327 PolarHBondContact O-N 3.39Å; L324-H328 PolarHBondContact O-CD2 3.32Å; L324-H328 VanDerWaalsContact O-CD2 3.32Å; L324-H328 PolarHBondContact O-N 3.24Å; L324-H328 VanDerWaalsContact O-N 3.11Å
325	L	90.9	Very high	86	Confident	67 Å²	67	80.5 Å²	80.5	35%	0.351	40%	0.397	S	S	.	.	H	α-helix	trans	-63.8	-35.1	176.7	-67.3	174.2	0	0	0	112.1	L293 I307 V321 E327 H328 K329	L293-L325 HydrophobicContact CD2-CB 3.85Å; I307-L325 HydrophobicContact CD1-CD1 4.35Å; V321-L325 HydrophobicContact CG1-CD1 3.91Å; V321-L325 HydrophobicContact CG1-CG 4.14Å; V321-L325 VanDerWaalsContact O-CG 3.3Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 3.2Å; L325-E327 VanDerWaalsContact C-N 3.34Å; L325-H328 PolarHBondContact O-N 3.16Å; L325-K329 WeakPolarHBondContact O-CG 3.3Å; L325-K329 PolarHBondContact O-N 3.28Å
326	K	88.9	Confident	85.4	Confident	87 Å²	87	85 Å²	85	38%	0.378	42%	0.418	S	S	.	.	H	α-helix	trans	-64.8	-38.1	175.4	-178.7	-170.8	174	-150.4	0	112.3	Q120 W292 G322 S323 L324 K329	Q120-K326 VanDerWaalsContact CD-NZ 3.28Å; Q120-K326 VanDerWaalsContact NE2-CD 3.33Å; W292-K326 HydrophobicContact CB-CB 4.35Å; G322-K326 PolarHBondContact O-N 3.4Å; G322-K326 VanDerWaalsContact O-N 3.1Å; S323-K326 WeakPolarHBondContact O-CB 3.38Å; S323-K326 PolarHBondContact O-N 3.11Å; L324-K326 VanDerWaalsContact C-N 3.28Å; L324-K326 PolarHBondContact O-N 3.22Å; K326-K329 WeakPolarHBondContact O-CG 3.3Å
327	E	87.1	Confident	84.8	Confident	143 Å²	143	82.3 Å²	82.3	67%	0.668	41%	0.409	S	S	*	.	H	α-helix	trans	-72.8	-30.2	178.9	-71.2	178.8	178	0	0	112.4	S323 L324 L325	S323-E327 PolarHBondContact O-N 2.82Å; S323-E327 VanDerWaalsContact O-N 3.16Å; L324-E327 PolarHBondContact O-N 3.39Å; L325-E327 VanDerWaalsContact C-N 3.34Å
328	H	86	Confident	84.1	Confident	96 Å²	96	83.2 Å²	83.2	44%	0.444	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	24.7	-175.9	-65.8	-61	0	0	0	115	L324 L325 S330 R331	L324-H328 PolarHBondContact O-CD2 3.32Å; L324-H328 VanDerWaalsContact O-CD2 3.32Å; L324-H328 PolarHBondContact O-N 3.24Å; L324-H328 VanDerWaalsContact O-N 3.11Å; L325-H328 PolarHBondContact O-N 3.16Å; H328-S330 PolarHBondContact O-N 3.07Å; H328-R331 PolarHBondContact O-N 2.85Å; H328-R331 VanDerWaalsContact O-N 3.07Å
329	K	71.4	Confident	83.2	Confident	107 Å²	107	89.6 Å²	89.6	47%	0.465	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-15.2	-179.2	-71.8	-174.7	-171.9	-167.5	0	115.8	W292 L293 L325 K326	W292-K329 WeakPolarHBondContact O-CE 3.31Å; W292-K329 PolarHBondContact O-NZ 3.42Å; L293-K329 PolarHBondContact O-NZ 3.11Å; L325-K329 WeakPolarHBondContact O-CG 3.3Å; L325-K329 PolarHBondContact O-N 3.28Å; K326-K329 WeakPolarHBondContact O-CG 3.3Å
330	S	56.1	Low	82.3	Confident	117 Å²	117	94 Å²	94	82%	0.818	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	11.8	-178.1	51	0	0	0	0	114.7	H328	H328-S330 PolarHBondContact O-N 3.07Å
331	R	40.6	Very low	81.3	Confident	269 Å²	269	95.1 Å²	95.1	100%	1.015	46%	0.462	S	S	*	.			trans	-119.5	0	170.9	-71.8	-175.1	175.6	-176.9	-1.2	110.6	H328	H328-R331 PolarHBondContact O-N 2.85Å; H328-R331 VanDerWaalsContact O-N 3.07Å

Retrieved 331 of 331 residues in 1450.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).