A0A087XM04_POEFO Loading...

CaM kinase-like vesicle-associated protein

Does not appear to have detectable kinase activity.

AlphaFold DB , UniProt , Accession A0A087XM04, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.1	Very low	36.5	Very low	236 Å²	236	144.9 Å²	144.9	100%	1.163	82%	0.819	S	S	*	*				0	111.3	0	-70.3	-127	-92.5	0	0	109.1
2	P	40.4	Very low	37.4	Very low	129 Å²	129	143.3 Å²	143.3	84%	0.838	80%	0.796	S	S	*	*			trans	-106.5	137.1	169.6	27.1	-11.3	0	0	0	112
3	F	33.3	Very low	38.2	Very low	213 Å²	213	144 Å²	144	93%	0.934	79%	0.79	S	S	*	*			trans	-56.4	154.7	-169.3	-64.5	-97.1	0	0	0	117.3
4	G	28	Very low	39.7	Very low	65 Å²	65	137.6 Å²	137.6	67%	0.67	75%	0.749	S	S	*	*			trans	97.3	45.5	139.1	0	0	0	0	0	117.3	L6	G4-L6 VanDerWaalsContact C-N 3.31Å; G4-L6 PolarHBondContact O-N 2.91Å
5	C	30.6	Very low	41.2	Very low	114 Å²	114	135 Å²	135	77%	0.77	73%	0.73	S	S	*	*			trans	-68.5	95.9	156.3	-162	0	0	0	0	108.2	T7	C5-T7 PolarHBondContact O-N 2.9Å
6	L	30.8	Very low	43.1	Very low	142 Å²	142	131.9 Å²	131.9	74%	0.743	71%	0.713	S	S	*	*			trans	-58.8	110.8	162.1	-78	169.8	0	0	0	106.5	G4 V8	G4-L6 VanDerWaalsContact C-N 3.31Å; G4-L6 PolarHBondContact O-N 2.91Å; L6-V8 PolarHBondContact O-N 3.23Å; L6-V8 VanDerWaalsContact O-N 3.12Å
7	T	33.7	Very low	45	Very low	128 Å²	128	127.5 Å²	127.5	79%	0.785	69%	0.693	S	S	*	*			trans	-61.5	115.2	172.3	37.5	0	0	0	0	107.2	C5 G9	C5-T7 PolarHBondContact O-N 2.9Å; T7-G9 PolarHBondContact O-N 3.36Å
8	V	43.5	Very low	47	Very low	135 Å²	135	122.4 Å²	122.4	82%	0.818	67%	0.668	S	S	*	*			trans	-59.5	107.8	169.7	175.1	0	0	0	0	105.9	L6	L6-V8 PolarHBondContact O-N 3.23Å; L6-V8 VanDerWaalsContact O-N 3.12Å
9	G	39.7	Very low	48.9	Very low	61 Å²	61	118.3 Å²	118.3	63%	0.629	65%	0.645	S	S	*	*			trans	-54.5	146.9	-175.3	0	0	0	0	0	111.1	T7	T7-G9 PolarHBondContact O-N 3.36Å
10	E	39.2	Very low	50.7	Low	155 Å²	155	112.4 Å²	112.4	72%	0.724	61%	0.613	S	S	*	*			trans	-45.8	153.4	176	-57.3	157.3	132.6	0	0	111.4	K12	E10-K12 PolarHBondContact O-N 2.83Å
11	K	39.8	Very low	52.6	Low	216 Å²	216	110.3 Å²	110.3	94%	0.939	60%	0.604	S	S	*	*			trans	-59.8	83.3	174.6	-72.9	-179	177.3	176.8	0	111.3
12	K	47.9	Very low	54.9	Low	125 Å²	125	104.5 Å²	104.5	54%	0.543	58%	0.577	S	S	.	*			trans	-86.5	109.5	167.5	-72.4	-179.5	178.7	177.8	0	107.4	E10 Y14	E10-K12 PolarHBondContact O-N 2.83Å; K12-Y14 HydrophobicContact CB-CD1 4.27Å; K12-Y14 HydrophobicContact CB-CD2 4.29Å; K12-Y14 HydrophobicContact CB-CE1 3.77Å; K12-Y14 HydrophobicContact CB-CE2 3.77Å; K12-Y14 HydrophobicContact CD-CE1 4.26Å; K12-Y14 VanDerWaalsContact O-CD2 3.23Å; K12-Y14 WeakPolarHBondContact O-CD2 3.29Å; K12-Y14 PolarHBondContact O-N 3.46Å; K12-Y14 VanDerWaalsContact O-N 3.12Å
13	E	47.7	Very low	57.5	Low	153 Å²	153	101.9 Å²	101.9	72%	0.715	55%	0.553	S	S	*	*			trans	-74.3	99.1	169.7	-63.1	-169.9	161.6	0	0	108.5	H15	E13-H15 VanDerWaalsContact C-N 3.32Å; E13-H15 VanDerWaalsContact CB-NE2 3.29Å; E13-H15 WeakPolarHBondContact CB-NE2 3.26Å; E13-H15 PolarHBondContact O-CD2 2.99Å; E13-H15 PolarHBondContact O-N 2.93Å; E13-H15 IonicContact OE2-CE1 2.91Å; E13-H15 PolarHBondContact OE2-CE1 2.76Å; E13-H15 IonicContact OE2-NE2 2.72Å; E13-H15 PolarHBondContact OE2-NE2 2.73Å
14	Y	59.1	Low	60.4	Low	54 Å²	54	91.9 Å²	91.9	21%	0.212	51%	0.509	C	S	.	.			trans	-79.5	77.4	-177.4	-66.5	-64.7	0	0	0	111.6	K12 N16 D19 F89 E90 T91	K12-Y14 HydrophobicContact CB-CD1 4.27Å; K12-Y14 HydrophobicContact CB-CD2 4.29Å; K12-Y14 HydrophobicContact CB-CE1 3.77Å; K12-Y14 HydrophobicContact CB-CE2 3.77Å; K12-Y14 HydrophobicContact CD-CE1 4.26Å; K12-Y14 VanDerWaalsContact O-CD2 3.23Å; K12-Y14 WeakPolarHBondContact O-CD2 3.29Å; K12-Y14 PolarHBondContact O-N 3.46Å; K12-Y14 VanDerWaalsContact O-N 3.12Å; Y14-N16 PolarHBondContact O-N 3.14Å; Y14-D19 WeakPolarHBondContact CA-OD2 3.43Å; Y14-D19 HydrophobicContact CD1-CB 3.54Å; Y14-D19 HydrophobicContact CE1-CB 4.32Å; Y14-D19 HydrophobicContact CG-CB 4.16Å; Y14-F89 AromaticContact CD1-CD1 3.86Å; Y14-F89 HydrophobicContact CD1-CD1 3.86Å; Y14-F89 AromaticContact CD1-CE1 3.81Å; Y14-F89 HydrophobicContact CD1-CE1 3.81Å; Y14-F89 HydrophobicContact CD2-CB 4.28Å; Y14-F89 AromaticContact CD2-CD1 3.33Å; Y14-F89 HydrophobicContact CD2-CD1 3.33Å; Y14-F89 AromaticContact CD2-CE1 3.69Å; Y14-F89 HydrophobicContact CD2-CE1 3.69Å; Y14-F89 AromaticContact CD2-CG 3.87Å; Y14-F89 HydrophobicContact CD2-CG 3.87Å; Y14-F89 HydrophobicContact CD2-CZ 4.48Å; Y14-F89 HydrophobicContact CE1-CD1 4.18Å; Y14-F89 AromaticContact CE1-CE1 3.68Å; Y14-F89 HydrophobicContact CE1-CE1 3.68Å; Y14-F89 AromaticContact CE2-CD1 3.72Å; Y14-F89 HydrophobicContact CE2-CD1 3.72Å; Y14-F89 AromaticContact CE2-CE1 3.59Å; Y14-F89 HydrophobicContact CE2-CE1 3.59Å; Y14-F89 HydrophobicContact CE2-CG 4.28Å; Y14-F89 HydrophobicContact CE2-CZ 4.04Å; Y14-F89 AromaticContact CG-CD1 3.38Å; Y14-F89 HydrophobicContact CG-CD1 3.38Å; Y14-F89 AromaticContact CG-CE1 3.77Å; Y14-F89 HydrophobicContact CG-CE1 3.77Å; Y14-F89 HydrophobicContact CG-CG 4.27Å; Y14-F89 AromaticContact CZ-CE1 3.55Å; Y14-E90 CarbonylContact O-C 3.53Å; Y14-T91 WeakPolarHBondContact O-CA 3.31Å
15	H	61.6	Low	63.6	Low	99 Å²	99	92.5 Å²	92.5	46%	0.458	50%	0.497	S	S	.	.			trans	-67.5	-15.9	-171.7	-76.2	-75.5	0	0	0	114.5	E13 D19	E13-H15 VanDerWaalsContact C-N 3.32Å; E13-H15 VanDerWaalsContact CB-NE2 3.29Å; E13-H15 WeakPolarHBondContact CB-NE2 3.26Å; E13-H15 PolarHBondContact O-CD2 2.99Å; E13-H15 PolarHBondContact O-N 2.93Å; E13-H15 IonicContact OE2-CE1 2.91Å; E13-H15 PolarHBondContact OE2-CE1 2.76Å; E13-H15 IonicContact OE2-NE2 2.72Å; E13-H15 PolarHBondContact OE2-NE2 2.73Å; H15-D19 PolarHBondContact N-OD2 2.87Å
16	N	72.3	Confident	66.6	Low	86 Å²	86	89.9 Å²	89.9	46%	0.46	48%	0.475	S	S	.	.	S	Bend	trans	-123.7	136.2	-172	-165.5	-6.9	0	0	0	112.1	Y14 S18 D19	Y14-N16 PolarHBondContact O-N 3.14Å; N16-S18 WeakPolarHBondContact CB-OG 3.12Å; N16-S18 PolarHBondContact ND2-OG 2.98Å; N16-S18 PolarHBondContact O-N 2.7Å; N16-S18 VanDerWaalsContact O-N 3.1Å; N16-S18 PolarHBondContact OD1-N 3.44Å; N16-D19 PolarHBondContact N-OD2 2.76Å; N16-D19 VanDerWaalsContact N-OD2 3.12Å; N16-D19 WeakPolarHBondContact O-CB 3.23Å; N16-D19 PolarHBondContact O-N 2.87Å
17	P	75.8	Confident	69.5	Low	57 Å²	57	85.1 Å²	85.1	37%	0.37	46%	0.461	S	S	.	.	H	α-helix	trans	-51.1	-26.1	168.7	-31.9	37.3	0	0	0	115.7	D19 V20 T21 T91	P17-D19 PolarHBondContact O-N 2.75Å; P17-V20 PolarHBondContact O-N 2.67Å; P17-T21 PolarHBondContact O-N 3.33Å; P17-T21 PolarHBondContact O-OG1 2.76Å; P17-T91 HydrophobicContact CG-CG2 4.48Å
18	S	80.4	Confident	72.1	Confident	36 Å²	36	87.3 Å²	87.3	25%	0.252	46%	0.462	S	S	.	.	H	α-helix	trans	-53.6	-42	172.4	55.2	0	0	0	0	112.1	N16 V20 T21 D22	N16-S18 WeakPolarHBondContact CB-OG 3.12Å; N16-S18 PolarHBondContact ND2-OG 2.98Å; N16-S18 PolarHBondContact O-N 2.7Å; N16-S18 VanDerWaalsContact O-N 3.1Å; N16-S18 PolarHBondContact OD1-N 3.44Å; S18-V20 PolarHBondContact O-N 3.04Å; S18-V20 VanDerWaalsContact O-N 3.07Å; S18-T21 WeakPolarHBondContact CA-OG1 2.94Å; S18-T21 CarbonylContact O-C 3.47Å; S18-T21 PolarHBondContact O-N 3.35Å; S18-T21 PolarHBondContact O-OG1 3.5Å; S18-D22 WeakPolarHBondContact O-CB 3.47Å; S18-D22 PolarHBondContact O-N 3.39Å
19	D	82.6	Confident	74.3	Confident	43 Å²	43	84.8 Å²	84.8	23%	0.23	44%	0.443	C	S	.	.	H	α-helix	trans	-59.8	-29.7	-174	-48.4	-23.3	0	0	0	112	Y14 H15 N16 P17 F89	Y14-D19 WeakPolarHBondContact CA-OD2 3.43Å; Y14-D19 HydrophobicContact CD1-CB 3.54Å; Y14-D19 HydrophobicContact CE1-CB 4.32Å; Y14-D19 HydrophobicContact CG-CB 4.16Å; H15-D19 PolarHBondContact N-OD2 2.87Å; N16-D19 PolarHBondContact N-OD2 2.76Å; N16-D19 VanDerWaalsContact N-OD2 3.12Å; N16-D19 WeakPolarHBondContact O-CB 3.23Å; N16-D19 PolarHBondContact O-N 2.87Å; P17-D19 PolarHBondContact O-N 2.75Å; D19-F89 HydrophobicContact CB-CD1 4.44Å; D19-F89 HydrophobicContact CB-CE1 4.48Å; D19-F89 WeakPolarHBondContact O-CE1 3.4Å
20	V	86.2	Confident	76.7	Confident	1 Å²	1	86.2 Å²	86.2	1%	0.006	44%	0.439	C	S	.	.	H	α-helix	trans	-76.1	-49.4	174.9	-171	0	0	0	0	110.3	P17 S18 D22 K23 Y24 F89 T91 F96 F98	P17-V20 PolarHBondContact O-N 2.67Å; S18-V20 PolarHBondContact O-N 3.04Å; S18-V20 VanDerWaalsContact O-N 3.07Å; V20-D22 VanDerWaalsContact C-N 3.3Å; V20-D22 PolarHBondContact O-N 2.9Å; V20-K23 PolarHBondContact O-N 3.18Å; V20-Y24 PolarHBondContact O-N 3.12Å; V20-F89 HydrophobicContact CB-CD1 4.44Å; V20-F89 HydrophobicContact CG2-CB 3.74Å; V20-F89 HydrophobicContact CG2-CD1 3.77Å; V20-F89 HydrophobicContact CG2-CG 3.86Å; V20-T91 HydrophobicContact CG2-CG2 4.19Å; V20-F96 HydrophobicContact CG1-CD1 4.07Å; V20-F96 HydrophobicContact CG1-CD2 4.32Å; V20-F96 HydrophobicContact CG1-CE1 4.29Å; V20-F96 HydrophobicContact CG1-CG 4.08Å; V20-F96 HydrophobicContact CG2-CD2 3.77Å; V20-F96 HydrophobicContact CG2-CE2 3.84Å; V20-F96 HydrophobicContact CG2-CG 4.33Å; V20-F96 HydrophobicContact CG2-CZ 4.44Å; V20-F98 HydrophobicContact CG1-CE2 4.1Å; V20-F98 HydrophobicContact CG1-CZ 3.74Å
21	T	89.5	Confident	78.9	Confident	68 Å²	68	82.6 Å²	82.6	42%	0.417	42%	0.421	S	S	.	.	H	α-helix	trans	-71.7	-22.3	-177.5	53	0	0	0	0	113.7	P17 S18 K23 Y24 K44	P17-T21 PolarHBondContact O-N 3.33Å; P17-T21 PolarHBondContact O-OG1 2.76Å; S18-T21 WeakPolarHBondContact CA-OG1 2.94Å; S18-T21 CarbonylContact O-C 3.47Å; S18-T21 PolarHBondContact O-N 3.35Å; S18-T21 PolarHBondContact O-OG1 3.5Å; T21-K23 VanDerWaalsContact C-N 3.33Å; T21-Y24 WeakPolarHBondContact CA-O 3.37Å; T21-K44 WeakPolarHBondContact O-CE 3.15Å; T21-K44 PolarHBondContact O-NZ 3.04Å
22	D	91.5	Very high	81.2	Confident	114 Å²	114	76.4 Å²	76.4	61%	0.61	41%	0.405	S	S	*	.	H	α-helix	trans	-72.7	-29.3	177.4	-68.3	-17.4	0	0	0	111.3	S18 V20 K44	S18-D22 WeakPolarHBondContact O-CB 3.47Å; S18-D22 PolarHBondContact O-N 3.39Å; V20-D22 VanDerWaalsContact C-N 3.3Å; V20-D22 PolarHBondContact O-N 2.9Å; D22-K44 WeakPolarHBondContact O-CD 3.43Å
23	K	93.4	Very high	83.1	Confident	75 Å²	75	73.3 Å²	73.3	33%	0.326	39%	0.392	S	S	.	.	H	α-helix	trans	-96.9	-36	175.2	-172.8	174.9	172.5	-170.1	0	113.7	V20 T21 D43 K44 D87 F89	V20-K23 PolarHBondContact O-N 3.18Å; T21-K23 VanDerWaalsContact C-N 3.33Å; K23-D43 VanDerWaalsContact CE-OD2 3.24Å; K23-D43 WeakPolarHBondContact CE-OD2 3.13Å; K23-K44 WeakPolarHBondContact O-CB 3.49Å; K23-K44 PolarHBondContact O-N 3.45Å; K23-D87 IonicContact NZ-OD2 2.72Å; K23-D87 PolarHBondContact NZ-OD2 3.07Å; K23-F89 HydrophobicContact CD-CZ 4.12Å
24	Y	95.7	Very high	84.8	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.008	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.5	-172.6	-64.8	-84	0	0	0	113.3	V20 T21 A41 K42 D43 Y50 D87 F89 F98	V20-Y24 PolarHBondContact O-N 3.12Å; T21-Y24 WeakPolarHBondContact CA-O 3.37Å; Y24-A41 HydrophobicContact CD1-CB 4.35Å; Y24-K42 CarbonylContact C-O 3.59Å; Y24-K42 VanDerWaalsContact CA-O 3.28Å; Y24-K42 WeakPolarHBondContact CA-O 3.35Å; Y24-D43 HydrophobicContact CD1-CB 3.99Å; Y24-D43 HydrophobicContact CE1-CB 3.71Å; Y24-Y50 HydrophobicContact CD1-CD2 4.48Å; Y24-Y50 AromaticContact CE1-CD2 3.85Å; Y24-Y50 HydrophobicContact CE1-CD2 3.85Å; Y24-Y50 HydrophobicContact CE1-CE2 4.17Å; Y24-D87 PolarHBondContact OH-OD2 3.4Å; Y24-F89 HydrophobicContact CD2-CE2 4.27Å; Y24-F89 AromaticContact CE2-CE2 3.75Å; Y24-F89 HydrophobicContact CE2-CE2 3.75Å; Y24-F89 HydrophobicContact CE2-CZ 4.14Å; Y24-F98 AromaticContact CD1-CD1 3.79Å; Y24-F98 HydrophobicContact CD1-CD1 3.79Å; Y24-F98 AromaticContact CD1-CE1 3.6Å; Y24-F98 HydrophobicContact CD1-CE1 3.6Å; Y24-F98 HydrophobicContact CD1-CZ 4.3Å; Y24-F98 HydrophobicContact CD2-CD1 4.1Å; Y24-F98 HydrophobicContact CD2-CD2 4.3Å; Y24-F98 AromaticContact CD2-CE1 3.56Å; Y24-F98 HydrophobicContact CD2-CE1 3.56Å; Y24-F98 AromaticContact CD2-CE2 3.79Å; Y24-F98 HydrophobicContact CD2-CE2 3.79Å; Y24-F98 HydrophobicContact CD2-CG 4.44Å; Y24-F98 AromaticContact CD2-CZ 3.39Å; Y24-F98 HydrophobicContact CD2-CZ 3.39Å; Y24-F98 AromaticContact CE1-CD1 3.75Å; Y24-F98 HydrophobicContact CE1-CD1 3.75Å; Y24-F98 HydrophobicContact CE1-CE1 4.03Å; Y24-F98 HydrophobicContact CE1-CG 4.24Å; Y24-F98 HydrophobicContact CE2-CD1 4.07Å; Y24-F98 AromaticContact CE2-CD2 3.95Å; Y24-F98 HydrophobicContact CE2-CD2 3.95Å; Y24-F98 AromaticContact CE2-CE1 3.99Å; Y24-F98 HydrophobicContact CE2-CE1 3.99Å; Y24-F98 AromaticContact CE2-CE2 3.88Å; Y24-F98 HydrophobicContact CE2-CE2 3.88Å; Y24-F98 HydrophobicContact CE2-CG 4.05Å; Y24-F98 AromaticContact CE2-CZ 3.9Å; Y24-F98 HydrophobicContact CE2-CZ 3.9Å; Y24-F98 AromaticContact CG-CD1 3.98Å; Y24-F98 HydrophobicContact CG-CD1 3.98Å; Y24-F98 AromaticContact CG-CE1 3.36Å; Y24-F98 HydrophobicContact CG-CE1 3.36Å; Y24-F98 HydrophobicContact CG-CE2 4.44Å; Y24-F98 AromaticContact CG-CZ 3.63Å; Y24-F98 HydrophobicContact CG-CZ 3.63Å; Y24-F98 AromaticContact CZ-CD1 3.91Å; Y24-F98 AromaticContact CZ-CG 3.95Å
25	D	94.8	Very high	86.2	Confident	78 Å²	78	72.6 Å²	72.6	42%	0.417	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	114.8	160.2	-69.4	-49.7	0	0	0	109.2	A41 K42 K44	D25-A41 CarbonylContact O-C 3.57Å; D25-A41 WeakPolarHBondContact O-CA 3.23Å; D25-K42 HydrophobicContact CB-CB 4.36Å; D25-K42 PolarHBondContact N-O 3.22Å; D25-K42 PolarHBondContact O-N 2.92Å; D25-K44 WeakPolarHBondContact OD1-CE 3.4Å; D25-K44 IonicContact OD1-NZ 3.41Å; D25-K44 PolarHBondContact OD1-NZ 3.45Å; D25-K44 WeakPolarHBondContact OD2-CE 3.38Å
26	L	93.8	Very high	87.8	Confident	59 Å²	59	68.3 Å²	68.3	31%	0.309	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.3	173.3	-57.9	-178.1	0	0	0	109.3	A41 C52 F96 F98	L26-A41 HydrophobicContact CD2-CB 3.82Å; L26-C52 HydrophobicContact CD2-CB 4.36Å; L26-F96 HydrophobicContact CD1-CD1 4.38Å; L26-F96 HydrophobicContact CD1-CE1 3.92Å; L26-F98 HydrophobicContact CD2-CE1 3.99Å; L26-F98 HydrophobicContact CD2-CZ 4.15Å
27	G	90.9	Very high	88.9	Confident	43 Å²	43	67 Å²	67	44%	0.443	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-153.9	177.6	0	0	0	0	0	113.1	F39 R40	G27-F39 WeakPolarHBondContact O-CD1 3.43Å; G27-R40 WeakPolarHBondContact CA-O 3.36Å; G27-R40 PolarHBondContact N-O 2.75Å
28	Q	88.3	Confident	89.7	Confident	174 Å²	174	65.2 Å²	65.2	81%	0.813	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	156.2	175.7	-67.3	178.4	-9.1	0	0	112.2	V30	Q28-V30 PolarHBondContact O-N 3.24Å
29	I	90.7	Very high	90.3	Very high	81 Å²	81	64.5 Å²	64.5	42%	0.415	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	129.5	169.2	-61.4	171.4	0	0	0	108.5	E37 I38 F39	I29-E37 HydrophobicContact CD1-CG 4.49Å; I29-I38 CarbonylContact C-O 3.6Å; I29-I38 WeakPolarHBondContact CA-O 3.45Å; I29-F39 HydrophobicContact CD1-CE1 4.2Å; I29-F39 HydrophobicContact CD1-CZ 4.18Å; I29-F39 HydrophobicContact CG1-CD1 3.92Å; I29-F39 HydrophobicContact CG1-CE1 3.34Å; I29-F39 HydrophobicContact CG1-CE2 4.46Å; I29-F39 HydrophobicContact CG1-CZ 3.65Å
30	V	89.1	Confident	90.9	Very high	92 Å²	92	69 Å²	69	56%	0.558	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	-43.5	177	-177.6	0	0	0	0	110.9	Q28 I38 R40	Q28-V30 PolarHBondContact O-N 3.24Å; V30-I38 PolarHBondContact N-O 3.28Å; V30-R40 HydrophobicContact CG2-CG 3.87Å
31	K	86.7	Confident	91.4	Very high	78 Å²	78	68.9 Å²	68.9	34%	0.339	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	143.4	-174.1	-166.2	170.9	-177.3	174.6	0	108.2	E33 I38 E106	K31-E33 HydrophobicContact CG-CG 4.42Å; K31-I38 HydrophobicContact CB-CB 4.3Å; K31-I38 WeakPolarHBondContact O-CB 3.34Å; K31-I38 PolarHBondContact O-N 2.72Å; K31-E106 IonicContact NZ-OE1 2.84Å; K31-E106 PolarHBondContact NZ-OE1 2.99Å
32	S	87.6	Confident	91.7	Very high	87 Å²	87	68.7 Å²	68.7	61%	0.608	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.5	168.5	-60	0	0	0	0	108.5
33	E	86.6	Confident	91.9	Very high	59 Å²	59	63.8 Å²	63.8	28%	0.276	32%	0.323	S	S	.	.			trans	-115.2	174.2	179.8	-60.6	-174.8	159.9	0	0	109.9	K31 F35 C36 I38 K53	K31-E33 HydrophobicContact CG-CG 4.42Å; E33-F35 PolarHBondContact O-N 2.64Å; E33-F35 VanDerWaalsContact O-N 3.13Å; E33-C36 PolarHBondContact N-O 2.85Å; E33-I38 VanDerWaalsContact CD-CD1 3.48Å; E33-I38 HydrophobicContact CG-CD1 4.14Å; E33-I38 WeakPolarHBondContact OE1-CD1 3.42Å; E33-K53 IonicContact OE2-NZ 3.59Å
34	E	84.6	Confident	92	Very high	160 Å²	160	64.4 Å²	64.4	75%	0.748	33%	0.326	S	S	*	.	S	Bend	trans	-55.9	-33.9	-175.4	-168	-172	158.5	0	0	113.2
35	F	89.1	Confident	92	Very high	32 Å²	32	69 Å²	69	14%	0.14	36%	0.363	C	S	.	.	S	Bend	trans	-119.6	-9.8	-173.5	-54.5	-46.2	0	0	0	115	E33 F55 K62 V63 A66 H168	E33-F35 PolarHBondContact O-N 2.64Å; E33-F35 VanDerWaalsContact O-N 3.13Å; F35-F55 HydrophobicContact CB-CD1 4.06Å; F35-F55 HydrophobicContact CB-CE1 4.01Å; F35-F55 WeakPolarHBondContact O-CD1 3.35Å; F35-K62 HydrophobicContact CE1-CB 4.4Å; F35-V63 HydrophobicContact CB-CG2 4.12Å; F35-V63 HydrophobicContact CD1-CG2 3.7Å; F35-V63 HydrophobicContact CG-CG2 4.3Å; F35-A66 HydrophobicContact CB-CB 4.43Å; F35-A66 HydrophobicContact CD2-CB 3.82Å; F35-A66 HydrophobicContact CE2-CB 4.39Å; F35-A66 HydrophobicContact CG-CB 4.2Å; F35-H168 AromaticContact CD2-CD2 3.62Å; F35-H168 AromaticContact CD2-NE2 3.65Å; F35-H168 AromaticContact CE2-CD2 3.59Å; F35-H168 AromaticContact CE2-NE2 3.39Å; F35-H168 WeakPolarHBondContact CE2-NE2 3.27Å
36	C	93.4	Very high	92.1	Very high	10 Å²	10	69.4 Å²	69.4	7%	0.068	37%	0.369	C	S	.	.			trans	-151.1	154.7	-175.8	57.3	0	0	0	0	114.9	E33 K54 F55	E33-C36 PolarHBondContact N-O 2.85Å; C36-K54 CarbonylContact C-O 3.59Å; C36-K54 WeakPolarHBondContact CA-O 3.44Å; C36-K54 WeakPolarHBondContact CB-O 3.48Å; C36-F55 HydrophobicContact CB-CD1 3.7Å; C36-F55 HydrophobicContact CB-CD2 4.02Å; C36-F55 HydrophobicContact CB-CE1 3.65Å; C36-F55 HydrophobicContact CB-CE2 3.97Å; C36-F55 HydrophobicContact CB-CG 3.88Å; C36-F55 HydrophobicContact CB-CZ 3.78Å
37	E	95.1	Very high	92.1	Very high	59 Å²	59	72.4 Å²	72.4	28%	0.276	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134	166	-63.9	172.1	141.9	0	0	108.9	I29 F39 K54	I29-E37 HydrophobicContact CD1-CG 4.49Å; E37-F39 HydrophobicContact CB-CD2 4.35Å; E37-F39 HydrophobicContact CB-CE2 3.46Å; E37-F39 VanDerWaalsContact CB-CE2 3.46Å; E37-F39 HydrophobicContact CB-CZ 3.9Å; E37-K54 PolarHBondContact N-O 2.86Å; E37-K54 PolarHBondContact O-N 3.44Å
38	I	93.6	Very high	92.4	Very high	18 Å²	18	75.2 Å²	75.2	9%	0.092	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.2	178	-55.6	-166.6	0	0	0	109.8	I29 V30 K31 E33 T51 C52 K53	I29-I38 CarbonylContact C-O 3.6Å; I29-I38 WeakPolarHBondContact CA-O 3.45Å; V30-I38 PolarHBondContact N-O 3.28Å; K31-I38 HydrophobicContact CB-CB 4.3Å; K31-I38 WeakPolarHBondContact O-CB 3.34Å; K31-I38 PolarHBondContact O-N 2.72Å; E33-I38 VanDerWaalsContact CD-CD1 3.48Å; E33-I38 HydrophobicContact CG-CD1 4.14Å; E33-I38 WeakPolarHBondContact OE1-CD1 3.42Å; I38-T51 HydrophobicContact CG2-CG2 3.58Å; I38-C52 CarbonylContact C-O 3.54Å; I38-C52 WeakPolarHBondContact CA-O 3.39Å; I38-K53 HydrophobicContact CD1-CG 4.27Å; I38-K53 HydrophobicContact CG1-CG 4.18Å
39	F	93.4	Very high	92.7	Very high	22 Å²	22	70.6 Å²	70.6	10%	0.096	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	154.2	179	-58.8	-100	0	0	0	110.9	G27 I29 E37 C52 K54	G27-F39 WeakPolarHBondContact O-CD1 3.43Å; I29-F39 HydrophobicContact CD1-CE1 4.2Å; I29-F39 HydrophobicContact CD1-CZ 4.18Å; I29-F39 HydrophobicContact CG1-CD1 3.92Å; I29-F39 HydrophobicContact CG1-CE1 3.34Å; I29-F39 HydrophobicContact CG1-CE2 4.46Å; I29-F39 HydrophobicContact CG1-CZ 3.65Å; E37-F39 HydrophobicContact CB-CD2 4.35Å; E37-F39 HydrophobicContact CB-CE2 3.46Å; E37-F39 VanDerWaalsContact CB-CE2 3.46Å; E37-F39 HydrophobicContact CB-CZ 3.9Å; F39-C52 HydrophobicContact CB-CB 4.34Å; F39-C52 PolarHBondContact N-O 3.14Å; F39-C52 PolarHBondContact O-N 3.43Å; F39-K54 HydrophobicContact CD2-CB 4.08Å; F39-K54 HydrophobicContact CE2-CB 3.63Å; F39-K54 HydrophobicContact CE2-CD 3.68Å; F39-K54 HydrophobicContact CE2-CG 4.3Å; F39-K54 HydrophobicContact CZ-CD 4.05Å
40	R	94.6	Very high	93	Very high	136 Å²	136	67.6 Å²	67.6	51%	0.513	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	131.7	152.5	-77.4	-179.4	-179	177.2	1.8	108.4	G27 V30 M49 L101	G27-R40 WeakPolarHBondContact CA-O 3.36Å; G27-R40 PolarHBondContact N-O 2.75Å; V30-R40 HydrophobicContact CG2-CG 3.87Å; R40-M49 HydrophobicContact CB-CE 4.08Å; R40-L101 HydrophobicContact CG-CD1 4.49Å
41	A	96.3	Very high	93.3	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.2	173.2	0	0	0	0	0	110.5	Y24 D25 L26 M49 Y50 C52 F98	Y24-A41 HydrophobicContact CD1-CB 4.35Å; D25-A41 CarbonylContact O-C 3.57Å; D25-A41 WeakPolarHBondContact O-CA 3.23Å; L26-A41 HydrophobicContact CD2-CB 3.82Å; A41-M49 CarbonylContact O-C 3.6Å; A41-M49 WeakPolarHBondContact O-CA 3.33Å; A41-Y50 PolarHBondContact N-O 3.17Å; A41-Y50 PolarHBondContact O-N 2.83Å; A41-C52 HydrophobicContact CB-CB 3.95Å; A41-F98 HydrophobicContact CB-CD1 3.89Å; A41-F98 HydrophobicContact CB-CE1 3.57Å
42	K	96.9	Very high	93.8	Very high	64 Å²	64	60.5 Å²	60.5	28%	0.278	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.7	174.6	-172.9	-175.8	179.1	-166	0	109.4	Y24 D25 K44 M47 K48 M49	Y24-K42 CarbonylContact C-O 3.59Å; Y24-K42 VanDerWaalsContact CA-O 3.28Å; Y24-K42 WeakPolarHBondContact CA-O 3.35Å; D25-K42 HydrophobicContact CB-CB 4.36Å; D25-K42 PolarHBondContact N-O 3.22Å; D25-K42 PolarHBondContact O-N 2.92Å; K42-K44 PolarHBondContact O-N 2.99Å; K42-M47 WeakPolarHBondContact CE-SD 3.44Å; K42-M47 VanDerWaalsContact NZ-CE 3.33Å; K42-M47 PolarHBondContact NZ-SD 2.92Å; K42-K48 WeakPolarHBondContact CA-O 3.22Å; K42-M49 HydrophobicContact CB-CE 4.37Å; K42-M49 HydrophobicContact CB-SD 3.63Å; K42-M49 HydrophobicContact CD-SD 4.07Å; K42-M49 HydrophobicContact CG-SD 3.68Å
43	D	96.3	Very high	94.2	Very high	10 Å²	10	56.8 Å²	56.8	5%	0.053	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.1	172.7	177	-68.4	0	0	0	109.3	K23 Y24 A45 T46 M47 K48 Y50	K23-D43 VanDerWaalsContact CE-OD2 3.24Å; K23-D43 WeakPolarHBondContact CE-OD2 3.13Å; Y24-D43 HydrophobicContact CD1-CB 3.99Å; Y24-D43 HydrophobicContact CE1-CB 3.71Å; D43-A45 PolarHBondContact O-N 3.42Å; D43-A45 PolarHBondContact OD1-N 3.44Å; D43-T46 WeakPolarHBondContact CB-OG1 3.24Å; D43-T46 WeakPolarHBondContact OD1-CB 3.46Å; D43-T46 PolarHBondContact OD1-N 3.29Å; D43-T46 PolarHBondContact OD1-OG1 3.12Å; D43-M47 WeakPolarHBondContact O-CA 3.3Å; D43-M47 PolarHBondContact O-N 3.29Å; D43-K48 PolarHBondContact N-O 3.11Å; D43-Y50 HydrophobicContact CB-CD2 4.17Å; D43-Y50 HydrophobicContact CB-CE2 3.62Å
44	K	95.3	Very high	94.7	Very high	89 Å²	89	55.7 Å²	55.7	39%	0.387	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-30.6	-172.3	-73.6	178.7	167.7	-178.9	0	113.8	T21 D22 K23 D25 K42	T21-K44 WeakPolarHBondContact O-CE 3.15Å; T21-K44 PolarHBondContact O-NZ 3.04Å; D22-K44 WeakPolarHBondContact O-CD 3.43Å; K23-K44 WeakPolarHBondContact O-CB 3.49Å; K23-K44 PolarHBondContact O-N 3.45Å; D25-K44 WeakPolarHBondContact OD1-CE 3.4Å; D25-K44 IonicContact OD1-NZ 3.41Å; D25-K44 PolarHBondContact OD1-NZ 3.45Å; D25-K44 WeakPolarHBondContact OD2-CE 3.38Å; K42-K44 PolarHBondContact O-N 2.99Å
45	A	95	Very high	95.2	Very high	97 Å²	97	48.1 Å²	48.1	80%	0.802	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-40.4	-176.4	0	0	0	0	0	111.8	D43	D43-A45 PolarHBondContact O-N 3.42Å; D43-A45 PolarHBondContact OD1-N 3.44Å
46	T	95.9	Very high	95.6	Very high	88 Å²	88	48 Å²	48	54%	0.54	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-10.8	-176.4	62.8	0	0	0	0	113.6	D43 K48	D43-T46 WeakPolarHBondContact CB-OG1 3.24Å; D43-T46 WeakPolarHBondContact OD1-CB 3.46Å; D43-T46 PolarHBondContact OD1-N 3.29Å; D43-T46 PolarHBondContact OD1-OG1 3.12Å; T46-K48 PolarHBondContact O-N 3.21Å
47	M	95.7	Very high	95.7	Very high	121 Å²	121	49 Å²	49	60%	0.596	25%	0.245	S	C	*	.			trans	58.6	7.7	-173.6	-60.1	-74.2	-104.3	0	0	114.6	K42 D43	K42-M47 WeakPolarHBondContact CE-SD 3.44Å; K42-M47 VanDerWaalsContact NZ-CE 3.33Å; K42-M47 PolarHBondContact NZ-SD 2.92Å; D43-M47 WeakPolarHBondContact O-CA 3.3Å; D43-M47 PolarHBondContact O-N 3.29Å
48	K	95.7	Very high	95.7	Very high	103 Å²	103	54.2 Å²	54.2	45%	0.448	27%	0.267	S	S	.	.			trans	-77.9	142	-177.2	-178.6	169.1	162.6	-165.5	0	111.1	K42 D43 T46 Y50	K42-K48 WeakPolarHBondContact CA-O 3.22Å; D43-K48 PolarHBondContact N-O 3.11Å; T46-K48 PolarHBondContact O-N 3.21Å; K48-Y50 HydrophobicContact CB-CE2 3.88Å; K48-Y50 HydrophobicContact CD-CE1 4.16Å; K48-Y50 HydrophobicContact CD-CE2 4.44Å; K48-Y50 WeakPolarHBondContact CD-OH 3.28Å; K48-Y50 HydrophobicContact CG-CE1 4.24Å; K48-Y50 HydrophobicContact CG-CE2 3.91Å; K48-Y50 VanDerWaalsContact O-CD2 3.29Å; K48-Y50 WeakPolarHBondContact O-CD2 3.47Å; K48-Y50 VanDerWaalsContact O-CE2 3.32Å; K48-Y50 WeakPolarHBondContact O-CE2 3.49Å
49	M	96	Very high	95.7	Very high	77 Å²	77	57.6 Å²	57.6	38%	0.379	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	144.5	179.6	-59.6	-64.1	-59.6	0	0	111.8	R40 A41 K42 L101	R40-M49 HydrophobicContact CB-CE 4.08Å; A41-M49 CarbonylContact O-C 3.6Å; A41-M49 WeakPolarHBondContact O-CA 3.33Å; K42-M49 HydrophobicContact CB-CE 4.37Å; K42-M49 HydrophobicContact CB-SD 3.63Å; K42-M49 HydrophobicContact CD-SD 4.07Å; K42-M49 HydrophobicContact CG-SD 3.68Å; M49-L101 HydrophobicContact CB-CD2 3.55Å
50	Y	96.4	Very high	95.8	Very high	17 Å²	17	57.7 Å²	57.7	7%	0.067	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.6	-176	-63.6	-76	0	0	0	111	Y24 A41 D43 K48 V86 L99	Y24-Y50 HydrophobicContact CD1-CD2 4.48Å; Y24-Y50 AromaticContact CE1-CD2 3.85Å; Y24-Y50 HydrophobicContact CE1-CD2 3.85Å; Y24-Y50 HydrophobicContact CE1-CE2 4.17Å; A41-Y50 PolarHBondContact N-O 3.17Å; A41-Y50 PolarHBondContact O-N 2.83Å; D43-Y50 HydrophobicContact CB-CD2 4.17Å; D43-Y50 HydrophobicContact CB-CE2 3.62Å; K48-Y50 HydrophobicContact CB-CE2 3.88Å; K48-Y50 HydrophobicContact CD-CE1 4.16Å; K48-Y50 HydrophobicContact CD-CE2 4.44Å; K48-Y50 WeakPolarHBondContact CD-OH 3.28Å; K48-Y50 HydrophobicContact CG-CE1 4.24Å; K48-Y50 HydrophobicContact CG-CE2 3.91Å; K48-Y50 VanDerWaalsContact O-CD2 3.29Å; K48-Y50 WeakPolarHBondContact O-CD2 3.47Å; K48-Y50 VanDerWaalsContact O-CE2 3.32Å; K48-Y50 WeakPolarHBondContact O-CE2 3.49Å; Y50-V86 HydrophobicContact CD1-CB 4.3Å; Y50-V86 HydrophobicContact CD1-CG1 4.2Å; Y50-V86 HydrophobicContact CD1-CG2 3.93Å; Y50-V86 HydrophobicContact CE1-CB 4.18Å; Y50-V86 HydrophobicContact CE1-CG1 3.67Å; Y50-V86 HydrophobicContact CE1-CG2 3.8Å; Y50-L99 WeakPolarHBondContact CB-O 3.32Å; Y50-L99 WeakPolarHBondContact CD1-O 3.43Å
51	T	95.6	Very high	95.8	Very high	22 Å²	22	61.2 Å²	61.2	14%	0.135	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.8	165	-60.3	0	0	0	0	108.1	I38 F98 L99 E100 L101	I38-T51 HydrophobicContact CG2-CG2 3.58Å; T51-F98 CarbonylContact O-C 3.23Å; T51-F98 WeakPolarHBondContact O-CA 3.42Å; T51-L99 HydrophobicContact CG2-CD1 4.47Å; T51-L99 PolarHBondContact N-O 3.15Å; T51-L99 PolarHBondContact O-N 3.23Å; T51-E100 PolarHBondContact OG1-O 2.72Å; T51-L101 WeakPolarHBondContact OG1-CD1 3.16Å
52	C	96.3	Very high	95.7	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116	174.9	-178.6	0	0	0	0	110.1	L26 I38 F39 A41 L97 F98	L26-C52 HydrophobicContact CD2-CB 4.36Å; I38-C52 CarbonylContact C-O 3.54Å; I38-C52 WeakPolarHBondContact CA-O 3.39Å; F39-C52 HydrophobicContact CB-CB 4.34Å; F39-C52 PolarHBondContact N-O 3.14Å; F39-C52 PolarHBondContact O-N 3.43Å; A41-C52 HydrophobicContact CB-CB 3.95Å; C52-L97 CarbonylContact C-O 3.59Å; C52-L97 WeakPolarHBondContact CA-O 3.49Å; C52-F98 HydrophobicContact CB-CD1 3.87Å; C52-F98 HydrophobicContact CB-CE1 3.79Å; C52-F98 HydrophobicContact CB-CZ 4.47Å
53	K	96.6	Very high	95.6	Very high	9 Å²	9	66 Å²	66	4%	0.039	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.5	168.1	-72.1	-171.4	166.8	-168.9	0	109.2	E33 I38 F55 E70 F96 L97 L99 D166	E33-K53 IonicContact OE2-NZ 3.59Å; I38-K53 HydrophobicContact CD1-CG 4.27Å; I38-K53 HydrophobicContact CG1-CG 4.18Å; K53-F55 HydrophobicContact CB-CD2 4.48Å; K53-F55 HydrophobicContact CB-CE2 3.69Å; K53-F55 HydrophobicContact CB-CZ 4.3Å; K53-F55 HydrophobicContact CD-CE2 4.31Å; K53-F55 HydrophobicContact CD-CZ 4.16Å; K53-E70 WeakPolarHBondContact CD-OE2 3.37Å; K53-E70 IonicContact NZ-OE1 3.58Å; K53-E70 PolarHBondContact NZ-OE1 2.88Å; K53-E70 IonicContact NZ-OE2 3.68Å; K53-E70 PolarHBondContact NZ-OE2 3.31Å; K53-F96 WeakPolarHBondContact O-CA 3.08Å; K53-L97 HydrophobicContact CB-CB 4.31Å; K53-L97 PolarHBondContact N-O 3.34Å; K53-L97 PolarHBondContact O-N 3.36Å; K53-L99 HydrophobicContact CD-CD1 4.19Å; K53-L99 HydrophobicContact CG-CD1 3.96Å; K53-D166 IonicContact NZ-OD1 3.8Å; K53-D166 PolarHBondContact NZ-OD1 3.16Å
54	K	96.1	Very high	95.6	Very high	35 Å²	35	69.9 Å²	69.9	15%	0.152	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.1	-179.6	-173.3	-169.8	-179.1	-162.1	0	111.1	C36 E37 F39 L56 E94 Y95 F96	C36-K54 CarbonylContact C-O 3.59Å; C36-K54 WeakPolarHBondContact CA-O 3.44Å; C36-K54 WeakPolarHBondContact CB-O 3.48Å; E37-K54 PolarHBondContact N-O 2.86Å; E37-K54 PolarHBondContact O-N 3.44Å; F39-K54 HydrophobicContact CD2-CB 4.08Å; F39-K54 HydrophobicContact CE2-CB 3.63Å; F39-K54 HydrophobicContact CE2-CD 3.68Å; F39-K54 HydrophobicContact CE2-CG 4.3Å; F39-K54 HydrophobicContact CZ-CD 4.05Å; K54-L56 HydrophobicContact CD-CD2 4.27Å; K54-L56 HydrophobicContact CG-CD2 4.39Å; K54-E94 WeakPolarHBondContact CE-OE1 3.13Å; K54-E94 IonicContact NZ-OE1 2.81Å; K54-E94 PolarHBondContact NZ-OE1 3.07Å; K54-Y95 CarbonylContact C-O 3.5Å; K54-Y95 WeakPolarHBondContact CA-O 3.15Å; K54-F96 HydrophobicContact CB-CD1 4.28Å; K54-F96 HydrophobicContact CB-CE1 4.41Å; K54-F96 HydrophobicContact CD-CD1 4.47Å; K54-F96 HydrophobicContact CD-CE1 3.79Å; K54-F96 HydrophobicContact CD-CZ 4.33Å; K54-F96 HydrophobicContact CG-CD1 3.93Å; K54-F96 HydrophobicContact CG-CE1 3.66Å; K54-F96 HydrophobicContact CG-CZ 4.22Å
55	F	96.6	Very high	95.5	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.009	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127	179.5	-58.9	-104.2	0	0	0	110.4	F35 C36 K53 V63 A67 E70 E94 Y95 L97	F35-F55 HydrophobicContact CB-CD1 4.06Å; F35-F55 HydrophobicContact CB-CE1 4.01Å; F35-F55 WeakPolarHBondContact O-CD1 3.35Å; C36-F55 HydrophobicContact CB-CD1 3.7Å; C36-F55 HydrophobicContact CB-CD2 4.02Å; C36-F55 HydrophobicContact CB-CE1 3.65Å; C36-F55 HydrophobicContact CB-CE2 3.97Å; C36-F55 HydrophobicContact CB-CG 3.88Å; C36-F55 HydrophobicContact CB-CZ 3.78Å; K53-F55 HydrophobicContact CB-CD2 4.48Å; K53-F55 HydrophobicContact CB-CE2 3.69Å; K53-F55 HydrophobicContact CB-CZ 4.3Å; K53-F55 HydrophobicContact CD-CE2 4.31Å; K53-F55 HydrophobicContact CD-CZ 4.16Å; F55-V63 HydrophobicContact CB-CG1 3.94Å; F55-V63 HydrophobicContact CD1-CG1 4.19Å; F55-A67 HydrophobicContact CB-CB 3.91Å; F55-A67 HydrophobicContact CD1-CB 3.75Å; F55-A67 HydrophobicContact CD2-CB 3.82Å; F55-A67 HydrophobicContact CE1-CB 4.19Å; F55-A67 HydrophobicContact CE2-CB 4.25Å; F55-A67 HydrophobicContact CG-CB 3.56Å; F55-A67 HydrophobicContact CZ-CB 4.43Å; F55-E70 WeakPolarHBondContact CZ-OE2 3.32Å; F55-E94 CarbonylContact O-C 3.56Å; F55-E94 VanDerWaalsContact O-CA 3.28Å; F55-E94 WeakPolarHBondContact O-CA 3.33Å; F55-Y95 HydrophobicContact CB-CD2 4.22Å; F55-Y95 PolarHBondContact N-O 3.02Å; F55-Y95 PolarHBondContact O-N 3.32Å; F55-L97 HydrophobicContact CD2-CD1 3.94Å; F55-L97 HydrophobicContact CE2-CD1 3.8Å; F55-L97 HydrophobicContact CE2-CD2 4.06Å; F55-L97 HydrophobicContact CE2-CG 4.46Å
56	L	95.9	Very high	95.5	Very high	29 Å²	29	68.5 Å²	68.5	15%	0.152	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.7	178.8	-45.4	-179	0	0	0	110.1	K54 K58 D59 V63 E94	K54-L56 HydrophobicContact CD-CD2 4.27Å; K54-L56 HydrophobicContact CG-CD2 4.39Å; L56-K58 HydrophobicContact CB-CG 4.23Å; L56-K58 PolarHBondContact O-N 3.34Å; L56-K58 VanDerWaalsContact O-N 3.09Å; L56-D59 WeakPolarHBondContact CB-OD2 3.19Å; L56-D59 WeakPolarHBondContact O-CB 3.49Å; L56-D59 PolarHBondContact O-N 3Å; L56-D59 VanDerWaalsContact O-N 3.08Å; L56-V63 WeakPolarHBondContact O-CG1 3.47Å; L56-E94 HydrophobicContact CD2-CG 3.85Å
57	K	95.4	Very high	95.5	Very high	30 Å²	30	64.3 Å²	64.3	13%	0.13	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-62.3	-23.2	-177.1	-65.6	-178.1	178.9	-169.9	0	113.5	D59 R64 E90 T91 K93 E94 Y95	K57-D59 VanDerWaalsContact C-N 3.28Å; K57-D59 PolarHBondContact O-N 3.03Å; K57-R64 HydrophobicContact CB-CG 4.14Å; K57-R64 HydrophobicContact CG-CG 4.27Å; K57-R64 PolarHBondContact O-NH1 3.22Å; K57-E90 IonicContact NZ-OE1 2.76Å; K57-E90 PolarHBondContact NZ-OE1 3.2Å; K57-T91 WeakPolarHBondContact CE-O 3.46Å; K57-T91 PolarHBondContact NZ-O 3.39Å; K57-K93 WeakPolarHBondContact CB-O 3.21Å; K57-K93 WeakPolarHBondContact CG-O 3.31Å; K57-K93 PolarHBondContact N-O 2.87Å; K57-E94 WeakPolarHBondContact CE-O 3.43Å; K57-Y95 HydrophobicContact CD-CE2 4.07Å; K57-Y95 VanDerWaalsContact CE-CE2 3.49Å; K57-Y95 WeakPolarHBondContact CE-OH 2.86Å; K57-Y95 HydrophobicContact CG-CD2 3.97Å; K57-Y95 HydrophobicContact CG-CE2 3.62Å
58	K	95.8	Very high	95.5	Very high	170 Å²	170	63.9 Å²	63.9	74%	0.739	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-67.9	-25.9	178.2	76.4	-176.3	-178.8	169.6	0	112.4	L56 G60	L56-K58 HydrophobicContact CB-CG 4.23Å; L56-K58 PolarHBondContact O-N 3.34Å; L56-K58 VanDerWaalsContact O-N 3.09Å; K58-G60 PolarHBondContact O-N 3Å
59	D	94.6	Very high	95.5	Very high	88 Å²	88	60.8 Å²	60.8	47%	0.471	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-77	13	-175.1	-58.1	-5.8	0	0	0	112.8	L56 K57 V63	L56-D59 WeakPolarHBondContact CB-OD2 3.19Å; L56-D59 WeakPolarHBondContact O-CB 3.49Å; L56-D59 PolarHBondContact O-N 3Å; L56-D59 VanDerWaalsContact O-N 3.08Å; K57-D59 VanDerWaalsContact C-N 3.28Å; K57-D59 PolarHBondContact O-N 3.03Å; D59-V63 HydrophobicContact CB-CB 4.38Å; D59-V63 HydrophobicContact CB-CG2 3.85Å
60	G	95.2	Very high	95.5	Very high	24 Å²	24	57.2 Å²	57.2	25%	0.247	26%	0.258	C	S	.	.			trans	107.9	-178.9	162.5	0	0	0	0	0	115.6	K58 K62 R64	K58-G60 PolarHBondContact O-N 3Å; G60-K62 VanDerWaalsContact C-N 3.33Å; G60-K62 PolarHBondContact O-N 2.94Å; G60-R64 WeakPolarHBondContact O-CG 3.26Å; G60-R64 PolarHBondContact O-N 2.91Å; G60-R64 PolarHBondContact O-NH1 3.16Å
61	R	94.9	Very high	95.5	Very high	210 Å²	210	57.3 Å²	57.3	79%	0.792	26%	0.26	S	S	*	.	H	α-helix	trans	-66.2	-33.8	-175	-170.1	-175	-67.3	-106	5.2	112.3	K65	R61-K65 WeakPolarHBondContact O-CB 3.48Å; R61-K65 PolarHBondContact O-N 3.1Å
62	K	93.4	Very high	95.5	Very high	159 Å²	159	61 Å²	61	69%	0.691	28%	0.278	S	S	*	.	H	α-helix	trans	-62.4	-53.5	178.9	-69.1	-173.5	178.1	-176	0	111.3	F35 G60 R64 K65 A66	F35-K62 HydrophobicContact CE1-CB 4.4Å; G60-K62 VanDerWaalsContact C-N 3.33Å; G60-K62 PolarHBondContact O-N 2.94Å; K62-R64 VanDerWaalsContact C-N 3.34Å; K62-R64 PolarHBondContact O-N 3.04Å; K62-K65 WeakPolarHBondContact O-CA 3.45Å; K62-K65 WeakPolarHBondContact O-CB 3.37Å; K62-K65 PolarHBondContact O-N 3Å; K62-A66 PolarHBondContact O-N 3.35Å
63	V	95.3	Very high	95.6	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-54.6	-46.6	176.7	174	0	0	0	0	112	F35 F55 L56 D59 K65 A66 A67	F35-V63 HydrophobicContact CB-CG2 4.12Å; F35-V63 HydrophobicContact CD1-CG2 3.7Å; F35-V63 HydrophobicContact CG-CG2 4.3Å; F55-V63 HydrophobicContact CB-CG1 3.94Å; F55-V63 HydrophobicContact CD1-CG1 4.19Å; L56-V63 WeakPolarHBondContact O-CG1 3.47Å; D59-V63 HydrophobicContact CB-CB 4.38Å; D59-V63 HydrophobicContact CB-CG2 3.85Å; V63-K65 VanDerWaalsContact C-N 3.32Å; V63-K65 PolarHBondContact O-N 3.42Å; V63-A66 PolarHBondContact O-N 3.08Å; V63-A67 PolarHBondContact O-N 3.09Å
64	R	95.5	Very high	95.6	Very high	91 Å²	91	61.1 Å²	61.1	34%	0.343	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-33.5	176.7	-62.6	-169.5	-61	-92.5	8.5	113.3	K57 G60 K62 K68 Y95	K57-R64 HydrophobicContact CB-CG 4.14Å; K57-R64 HydrophobicContact CG-CG 4.27Å; K57-R64 PolarHBondContact O-NH1 3.22Å; G60-R64 WeakPolarHBondContact O-CG 3.26Å; G60-R64 PolarHBondContact O-N 2.91Å; G60-R64 PolarHBondContact O-NH1 3.16Å; K62-R64 VanDerWaalsContact C-N 3.34Å; K62-R64 PolarHBondContact O-N 3.04Å; R64-K68 WeakPolarHBondContact O-CB 3.19Å; R64-K68 WeakPolarHBondContact O-CG 3.46Å; R64-K68 PolarHBondContact O-N 3.32Å; R64-Y95 HydrophobicContact CB-CE2 4.37Å; R64-Y95 HydrophobicContact CG-CE2 4.26Å
65	K	94.5	Very high	95.6	Very high	149 Å²	149	65.9 Å²	65.9	65%	0.648	30%	0.3	S	S	*	.	H	α-helix	trans	-71	-46.6	175.2	-173.3	-178	177.4	-174.5	0	110.7	R61 K62 V63 K68 N69	R61-K65 WeakPolarHBondContact O-CB 3.48Å; R61-K65 PolarHBondContact O-N 3.1Å; K62-K65 WeakPolarHBondContact O-CA 3.45Å; K62-K65 WeakPolarHBondContact O-CB 3.37Å; K62-K65 PolarHBondContact O-N 3Å; V63-K65 VanDerWaalsContact C-N 3.32Å; V63-K65 PolarHBondContact O-N 3.42Å; K65-K68 PolarHBondContact O-N 3.02Å; K65-N69 WeakPolarHBondContact O-CB 3.43Å; K65-N69 PolarHBondContact O-N 2.92Å
66	A	94.4	Very high	95.6	Very high	8 Å²	8	69.8 Å²	69.8	7%	0.066	32%	0.319	C	S	.	.	H	α-helix	trans	-55.5	-54.3	177.3	0	0	0	0	0	111.5	F35 K62 V63 K68 N69 E70 H168	F35-A66 HydrophobicContact CB-CB 4.43Å; F35-A66 HydrophobicContact CD2-CB 3.82Å; F35-A66 HydrophobicContact CE2-CB 4.39Å; F35-A66 HydrophobicContact CG-CB 4.2Å; K62-A66 PolarHBondContact O-N 3.35Å; V63-A66 PolarHBondContact O-N 3.08Å; A66-K68 PolarHBondContact O-N 3.27Å; A66-N69 PolarHBondContact O-N 3.44Å; A66-E70 PolarHBondContact O-N 3.4Å; A66-H168 HydrophobicContact CB-CB 4.1Å
67	A	96.4	Very high	95.6	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.2	-48.9	179.2	0	0	0	0	0	112.8	F55 V63 N69 E70 I71 Y95	F55-A67 HydrophobicContact CB-CB 3.91Å; F55-A67 HydrophobicContact CD1-CB 3.75Å; F55-A67 HydrophobicContact CD2-CB 3.82Å; F55-A67 HydrophobicContact CE1-CB 4.19Å; F55-A67 HydrophobicContact CE2-CB 4.25Å; F55-A67 HydrophobicContact CG-CB 3.56Å; F55-A67 HydrophobicContact CZ-CB 4.43Å; V63-A67 PolarHBondContact O-N 3.09Å; A67-N69 VanDerWaalsContact C-N 3.31Å; A67-N69 PolarHBondContact O-N 3.12Å; A67-E70 PolarHBondContact O-N 2.8Å; A67-I71 WeakPolarHBondContact O-CD1 3.26Å; A67-I71 VanDerWaalsContact O-CG1 3.24Å; A67-I71 WeakPolarHBondContact O-CG1 3.32Å; A67-I71 PolarHBondContact O-N 3.35Å; A67-Y95 HydrophobicContact CB-CD2 3.55Å; A67-Y95 HydrophobicContact CB-CE2 4.09Å; A67-Y95 HydrophobicContact CB-CG 3.84Å
68	K	95.6	Very high	95.7	Very high	111 Å²	111	74.7 Å²	74.7	48%	0.483	34%	0.34	S	S	.	.	H	α-helix	trans	-64.7	-35.2	179	-74.3	-165.8	178.8	-151.6	0	112.8	R64 K65 A66 L72 Y95	R64-K68 WeakPolarHBondContact O-CB 3.19Å; R64-K68 WeakPolarHBondContact O-CG 3.46Å; R64-K68 PolarHBondContact O-N 3.32Å; K65-K68 PolarHBondContact O-N 3.02Å; A66-K68 PolarHBondContact O-N 3.27Å; K68-L72 WeakPolarHBondContact O-CB 3.36Å; K68-L72 PolarHBondContact O-N 3Å; K68-Y95 WeakPolarHBondContact CE-OH 3.36Å; K68-Y95 HydrophobicContact CG-CE1 4.08Å
69	N	95.1	Very high	95.8	Very high	38 Å²	38	68.2 Å²	68.2	20%	0.203	31%	0.312	C	S	.	.	H	α-helix	trans	-70.5	-45	178.5	-170.1	69.5	0	0	0	111.3	K65 A66 A67 L72 I73 H168 A170	K65-N69 WeakPolarHBondContact O-CB 3.43Å; K65-N69 PolarHBondContact O-N 2.92Å; A66-N69 PolarHBondContact O-N 3.44Å; A67-N69 VanDerWaalsContact C-N 3.31Å; A67-N69 PolarHBondContact O-N 3.12Å; N69-L72 PolarHBondContact O-N 3.34Å; N69-I73 WeakPolarHBondContact O-CG1 3.47Å; N69-I73 PolarHBondContact O-N 2.94Å; N69-H168 PolarHBondContact ND2-O 2.9Å; N69-A170 PolarHBondContact ND2-O 3.5Å
70	E	96.4	Very high	95.9	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.009	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-44.9	174.8	-170.3	162.8	-148.3	0	0	111.5	K53 F55 A66 A67 L72 L74 L97 F167 H168	K53-E70 WeakPolarHBondContact CD-OE2 3.37Å; K53-E70 IonicContact NZ-OE1 3.58Å; K53-E70 PolarHBondContact NZ-OE1 2.88Å; K53-E70 IonicContact NZ-OE2 3.68Å; K53-E70 PolarHBondContact NZ-OE2 3.31Å; F55-E70 WeakPolarHBondContact CZ-OE2 3.32Å; A66-E70 PolarHBondContact O-N 3.4Å; A67-E70 PolarHBondContact O-N 2.8Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.36Å; E70-L74 HydrophobicContact CG-CD1 3.63Å; E70-L74 HydrophobicContact CG-CG 4.21Å; E70-L74 VanDerWaalsContact O-CB 3.23Å; E70-L74 WeakPolarHBondContact O-CB 3.28Å; E70-L74 VanDerWaalsContact O-CG 3.28Å; E70-L74 WeakPolarHBondContact O-CG 3.23Å; E70-L74 PolarHBondContact O-N 3.22Å; E70-L97 HydrophobicContact CB-CD2 4.09Å; E70-L97 HydrophobicContact CG-CD2 3.84Å; E70-F167 HydrophobicContact CG-CB 4.18Å; E70-F167 PolarHBondContact OE1-N 2.99Å; E70-F167 VanDerWaalsContact OE1-N 3.12Å; E70-H168 HydrophobicContact CB-CB 4.21Å
71	I	96.1	Very high	96	Very high	19 Å²	19	67 Å²	67	10%	0.097	30%	0.304	C	S	.	.	H	α-helix	trans	-57.2	-43.4	172.9	-69.1	160.7	0	0	0	111.8	A67 K75 V88 Y95 L97	A67-I71 WeakPolarHBondContact O-CD1 3.26Å; A67-I71 VanDerWaalsContact O-CG1 3.24Å; A67-I71 WeakPolarHBondContact O-CG1 3.32Å; A67-I71 PolarHBondContact O-N 3.35Å; I71-K75 HydrophobicContact CG2-CD 4.08Å; I71-K75 WeakPolarHBondContact O-CB 3.37Å; I71-K75 VanDerWaalsContact O-CG 3.26Å; I71-K75 WeakPolarHBondContact O-CG 3.46Å; I71-K75 PolarHBondContact O-N 3.31Å; I71-V88 HydrophobicContact CD1-CG1 3.68Å; I71-V88 HydrophobicContact CG1-CG1 3.98Å; I71-V88 HydrophobicContact CG1-CG2 4.18Å; I71-V88 HydrophobicContact CG2-CG1 4.32Å; I71-V88 HydrophobicContact CG2-CG2 4.22Å; I71-Y95 HydrophobicContact CD1-CD1 3.98Å; I71-L97 HydrophobicContact CD1-CD1 3.79Å; I71-L97 HydrophobicContact CD1-CG 4.3Å; I71-L97 HydrophobicContact CG1-CD1 3.72Å; I71-L97 HydrophobicContact CG1-CD2 3.87Å; I71-L97 HydrophobicContact CG1-CG 3.67Å
72	L	96.3	Very high	96.2	Very high	101 Å²	101	57 Å²	57	53%	0.529	27%	0.266	S	S	.	.	H	α-helix	trans	-65.8	-52.8	-177.4	178.1	64.9	0	0	0	111	K68 N69 E70 K75 M76	K68-L72 WeakPolarHBondContact O-CB 3.36Å; K68-L72 PolarHBondContact O-N 3Å; N69-L72 PolarHBondContact O-N 3.34Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.36Å; L72-K75 PolarHBondContact O-N 2.93Å; L72-M76 HydrophobicContact CG-SD 4.46Å; L72-M76 WeakPolarHBondContact O-CG 3.34Å
73	I	97.4	Very high	96.3	Very high	2 Å²	2	50 Å²	50	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-46.6	-178.5	-64.6	-65.3	0	0	0	110.6	N69 K75 M76 V77 I141 F167 A170	N69-I73 WeakPolarHBondContact O-CG1 3.47Å; N69-I73 PolarHBondContact O-N 2.94Å; I73-K75 PolarHBondContact O-N 3.2Å; I73-M76 WeakPolarHBondContact O-CB 3.32Å; I73-M76 PolarHBondContact O-N 3.11Å; I73-V77 HydrophobicContact CG2-CG1 4.45Å; I73-V77 PolarHBondContact O-N 3.23Å; I73-I141 HydrophobicContact CD1-CD1 4.4Å; I73-I141 HydrophobicContact CD1-CG1 4.31Å; I73-I141 HydrophobicContact CD1-CG2 4.14Å; I73-I141 HydrophobicContact CG2-CD1 4.41Å; I73-I141 HydrophobicContact CG2-CG2 4.1Å; I73-F167 HydrophobicContact CG2-CB 4.18Å; I73-F167 HydrophobicContact CG2-CD1 3.66Å; I73-F167 HydrophobicContact CG2-CG 4.27Å; I73-A170 HydrophobicContact CG1-CB 4.12Å; I73-A170 HydrophobicContact CG2-CB 4.01Å
74	L	97.1	Very high	96.3	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-19.4	-179.3	-70.4	177.3	0	0	0	114.3	E70 M76 V77 I82 L85 L99 F167	E70-L74 HydrophobicContact CG-CD1 3.63Å; E70-L74 HydrophobicContact CG-CG 4.21Å; E70-L74 VanDerWaalsContact O-CB 3.23Å; E70-L74 WeakPolarHBondContact O-CB 3.28Å; E70-L74 VanDerWaalsContact O-CG 3.28Å; E70-L74 WeakPolarHBondContact O-CG 3.23Å; E70-L74 PolarHBondContact O-N 3.22Å; L74-M76 VanDerWaalsContact C-N 3.35Å; L74-V77 HydrophobicContact CD2-CG2 4.2Å; L74-I82 HydrophobicContact CD2-CG2 4.43Å; L74-L85 HydrophobicContact CB-CB 3.83Å; L74-L85 HydrophobicContact CB-CD2 3.99Å; L74-L85 HydrophobicContact CB-CG 4.44Å; L74-L85 HydrophobicContact CD1-CB 4.36Å; L74-L85 HydrophobicContact CD1-CD1 4.47Å; L74-L99 HydrophobicContact CD1-CD2 3.69Å; L74-F167 HydrophobicContact CD2-CB 4.26Å; L74-F167 HydrophobicContact CD2-CD2 3.59Å; L74-F167 HydrophobicContact CD2-CE2 4.11Å; L74-F167 HydrophobicContact CD2-CG 3.9Å; L74-F167 HydrophobicContact CG-CB 4.26Å; L74-F167 HydrophobicContact CG-CD2 4.44Å; L74-F167 HydrophobicContact CG-CG 4.44Å
75	K	95.8	Very high	96.4	Very high	135 Å²	135	48.6 Å²	48.6	59%	0.587	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.7	170.6	-79	178.6	176.4	-175.8	0	113.8	I71 L72 I73 L85	I71-K75 HydrophobicContact CG2-CD 4.08Å; I71-K75 WeakPolarHBondContact O-CB 3.37Å; I71-K75 VanDerWaalsContact O-CG 3.26Å; I71-K75 WeakPolarHBondContact O-CG 3.46Å; I71-K75 PolarHBondContact O-N 3.31Å; L72-K75 PolarHBondContact O-N 2.93Å; I73-K75 PolarHBondContact O-N 3.2Å; K75-L85 HydrophobicContact CG-CD2 3.83Å
76	M	95.9	Very high	96.5	Very high	84 Å²	84	43.5 Å²	43.5	41%	0.414	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-20.1	-178.5	-64.5	172.8	62.9	0	0	113.1	L72 I73 L74 I141 L172	L72-M76 HydrophobicContact CG-SD 4.46Å; L72-M76 WeakPolarHBondContact O-CG 3.34Å; I73-M76 WeakPolarHBondContact O-CB 3.32Å; I73-M76 PolarHBondContact O-N 3.11Å; L74-M76 VanDerWaalsContact C-N 3.35Å; M76-I141 HydrophobicContact CB-CD1 4.43Å; M76-L172 HydrophobicContact CE-CD1 3.91Å; M76-L172 HydrophobicContact CE-CD2 4.38Å
77	V	96.6	Very high	96.5	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.042	22%	0.221	C	C	.	.			trans	-109	138.1	-170	-59.3	0	0	0	0	112.1	I73 L74 I82 Y135 L136 L139 I141	I73-V77 HydrophobicContact CG2-CG1 4.45Å; I73-V77 PolarHBondContact O-N 3.23Å; L74-V77 HydrophobicContact CD2-CG2 4.2Å; V77-I82 HydrophobicContact CB-CD1 4.34Å; V77-I82 HydrophobicContact CG2-CG2 4.03Å; V77-Y135 HydrophobicContact CB-CE1 4.01Å; V77-Y135 HydrophobicContact CG1-CE1 4.36Å; V77-L136 HydrophobicContact CB-CD2 4.4Å; V77-L136 HydrophobicContact CG1-CD2 3.58Å; V77-L139 HydrophobicContact CG1-CD1 4.17Å; V77-I141 HydrophobicContact CG1-CD1 3.56Å
78	K	96.6	Very high	96.5	Very high	155 Å²	155	45.9 Å²	45.9	67%	0.674	23%	0.228	S	C	*	.			trans	-145.4	99.5	175.1	-174.7	175.1	-178.3	177.5	0	110.2	Y135	K78-Y135 PolarHBondContact N-OH 3.04Å; K78-Y135 PolarHBondContact O-OH 3.38Å
79	H	98.1	Very high	96.4	Very high	33 Å²	33	40.7 Å²	40.7	15%	0.153	21%	0.205	C	C	.	.			trans	-144.5	141	-175.3	-168	-99.5	0	0	0	110.2	N81 I82 Q84 Y135	H79-N81 PolarHBondContact CE1-OD1 3.24Å; H79-N81 PolarHBondContact ND1-N 2.81Å; H79-N81 PolarHBondContact O-N 3.39Å; H79-N81 VanDerWaalsContact O-N 3.16Å; H79-I82 HydrophobicContact CB-CB 4.16Å; H79-I82 HydrophobicContact CB-CD1 3.81Å; H79-I82 HydrophobicContact CB-CG1 3.94Å; H79-I82 PolarHBondContact O-N 2.97Å; H79-I82 VanDerWaalsContact O-N 3.13Å; H79-Q84 PolarHBondContact O-NE2 2.7Å; H79-Y135 HydrophobicContact CB-CD1 3.68Å; H79-Y135 HydrophobicContact CB-CE1 3.84Å; H79-Y135 HydrophobicContact CB-CG 4.25Å; H79-Y135 AromaticContact CD2-CG 3.7Å; H79-Y135 AromaticContact CG-CD1 3.98Å
80	P	97.3	Very high	96.3	Very high	77 Å²	77	42.8 Å²	42.8	50%	0.5	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-35.3	178.7	19.3	-32.8	0	0	0	113.3	K161	P80-K161 WeakPolarHBondContact O-CD 3.34Å; P80-K161 WeakPolarHBondContact O-CE 3.41Å; P80-K161 PolarHBondContact O-NZ 3.47Å
81	N	98.3	Very high	96.1	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.053	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	19.6	-177.3	-55	89.4	0	0	0	114.2	H79 Q128 A132 I162 V163 I164	H79-N81 PolarHBondContact CE1-OD1 3.24Å; H79-N81 PolarHBondContact ND1-N 2.81Å; H79-N81 PolarHBondContact O-N 3.39Å; H79-N81 VanDerWaalsContact O-N 3.16Å; N81-Q128 PolarHBondContact ND2-OE1 2.87Å; N81-A132 HydrophobicContact CB-CB 4.02Å; N81-I162 VanDerWaalsContact CA-O 3.26Å; N81-I162 WeakPolarHBondContact CA-O 3.37Å; N81-I162 VanDerWaalsContact CB-O 3.3Å; N81-I162 WeakPolarHBondContact CB-O 3.46Å; N81-I162 PolarHBondContact ND2-O 2.94Å; N81-V163 WeakPolarHBondContact O-CA 3.32Å; N81-I164 PolarHBondContact O-N 2.89Å
82	I	97.9	Very high	95.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-120.7	132.6	171.3	-67.1	177.1	0	0	0	108.3	L74 V77 H79 Q84 A132 Y135 L136 F167	L74-I82 HydrophobicContact CD2-CG2 4.43Å; V77-I82 HydrophobicContact CB-CD1 4.34Å; V77-I82 HydrophobicContact CG2-CG2 4.03Å; H79-I82 HydrophobicContact CB-CB 4.16Å; H79-I82 HydrophobicContact CB-CD1 3.81Å; H79-I82 HydrophobicContact CB-CG1 3.94Å; H79-I82 PolarHBondContact O-N 2.97Å; H79-I82 VanDerWaalsContact O-N 3.13Å; I82-Q84 PolarHBondContact O-N 3.41Å; I82-Q84 VanDerWaalsContact O-N 3.14Å; I82-Q84 PolarHBondContact O-NE2 2.9Å; I82-A132 HydrophobicContact CG1-CB 4.18Å; I82-Y135 HydrophobicContact CD1-CD1 4.01Å; I82-Y135 HydrophobicContact CD1-CE1 4.26Å; I82-L136 HydrophobicContact CD1-CD1 4.29Å; I82-L136 HydrophobicContact CD1-CD2 3.77Å; I82-L136 HydrophobicContact CD1-CG 3.92Å; I82-F167 HydrophobicContact CB-CZ 4.39Å; I82-F167 HydrophobicContact CD1-CZ 4.12Å; I82-F167 HydrophobicContact CG1-CZ 4.06Å; I82-F167 HydrophobicContact CG2-CE2 3.71Å; I82-F167 HydrophobicContact CG2-CZ 3.58Å
83	L	95.8	Very high	95.6	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.058	25%	0.25	C	S	.	.			trans	-66.1	113.3	178.5	-164.6	73.3	0	0	0	110.5	L99 E100 A102 V163 I164	L83-L99 HydrophobicContact CD2-CB 4.04Å; L83-L99 HydrophobicContact CD2-CD2 4.37Å; L83-L99 HydrophobicContact CG-CB 4.36Å; L83-E100 HydrophobicContact CD1-CB 4.02Å; L83-E100 WeakPolarHBondContact CD1-O 3.39Å; L83-A102 HydrophobicContact CD1-CB 4.15Å; L83-V163 HydrophobicContact CB-CB 4.49Å; L83-V163 HydrophobicContact CD1-CB 4.47Å; L83-V163 HydrophobicContact CD1-CG2 3.99Å; L83-I164 WeakPolarHBondContact CB-O 3.35Å; L83-I164 PolarHBondContact N-O 3.26Å
84	Q	96.3	Very high	95.5	Very high	35 Å²	35	53.7 Å²	53.7	16%	0.164	26%	0.257	C	S	.	.			trans	-77.5	141.2	-168.8	-60.2	-64.8	-72	0	0	112.6	H79 I82 L99 E100	H79-Q84 PolarHBondContact O-NE2 2.7Å; I82-Q84 PolarHBondContact O-N 3.41Å; I82-Q84 VanDerWaalsContact O-N 3.14Å; I82-Q84 PolarHBondContact O-NE2 2.9Å; Q84-L99 CarbonylContact O-C 3.58Å; Q84-L99 VanDerWaalsContact O-CA 3.31Å; Q84-L99 WeakPolarHBondContact O-CA 3.16Å; Q84-E100 HydrophobicContact CB-CG 3.96Å; Q84-E100 PolarHBondContact O-N 2.85Å
85	L	97.1	Very high	95.4	Very high	34 Å²	34	53.5 Å²	53.5	18%	0.178	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.9	170.8	-178.4	73.1	0	0	0	110.1	L74 K75 V88 L97 L99	L74-L85 HydrophobicContact CB-CB 3.83Å; L74-L85 HydrophobicContact CB-CD2 3.99Å; L74-L85 HydrophobicContact CB-CG 4.44Å; L74-L85 HydrophobicContact CD1-CB 4.36Å; L74-L85 HydrophobicContact CD1-CD1 4.47Å; K75-L85 HydrophobicContact CG-CD2 3.83Å; L85-V88 HydrophobicContact CD1-CG2 3.8Å; L85-V88 HydrophobicContact CD2-CG2 3.72Å; L85-V88 HydrophobicContact CG-CG2 4.09Å; L85-L97 HydrophobicContact CD1-CB 4.14Å; L85-L97 HydrophobicContact CD1-CG 4.43Å; L85-L99 HydrophobicContact CD1-CD2 4.47Å
86	V	96	Very high	95.5	Very high	42 Å²	42	47.4 Å²	47.4	26%	0.255	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-44.4	-176.8	179.8	0	0	0	0	111.1	Y50 F98 E100	Y50-V86 HydrophobicContact CD1-CB 4.3Å; Y50-V86 HydrophobicContact CD1-CG1 4.2Å; Y50-V86 HydrophobicContact CD1-CG2 3.93Å; Y50-V86 HydrophobicContact CE1-CB 4.18Å; Y50-V86 HydrophobicContact CE1-CG1 3.67Å; Y50-V86 HydrophobicContact CE1-CG2 3.8Å; V86-F98 WeakPolarHBondContact CA-O 3.18Å; V86-F98 WeakPolarHBondContact CB-O 3.4Å; V86-F98 PolarHBondContact N-O 3.1Å; V86-E100 HydrophobicContact CG2-CG 4.15Å
87	D	94.6	Very high	95.5	Very high	34 Å²	34	43.4 Å²	43.4	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	159.9	-178.4	-150.7	-11.6	0	0	0	112.5	K23 Y24 F89 F98	K23-D87 IonicContact NZ-OD2 2.72Å; K23-D87 PolarHBondContact NZ-OD2 3.07Å; Y24-D87 PolarHBondContact OH-OD2 3.4Å; D87-F89 HydrophobicContact CB-CE2 4.24Å; D87-F89 WeakPolarHBondContact OD2-CE2 3.44Å; D87-F98 HydrophobicContact CB-CB 4.03Å; D87-F98 HydrophobicContact CB-CD2 4.23Å; D87-F98 HydrophobicContact CB-CG 4.46Å; D87-F98 PolarHBondContact N-O 2.93Å; D87-F98 VanDerWaalsContact N-O 3.12Å; D87-F98 PolarHBondContact O-N 2.8Å
88	V	95.7	Very high	95.5	Very high	25 Å²	25	43.1 Å²	43.1	15%	0.152	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	128.9	179.9	178.4	0	0	0	0	111.4	I71 L85 F96	I71-V88 HydrophobicContact CD1-CG1 3.68Å; I71-V88 HydrophobicContact CG1-CG1 3.98Å; I71-V88 HydrophobicContact CG1-CG2 4.18Å; I71-V88 HydrophobicContact CG2-CG1 4.32Å; I71-V88 HydrophobicContact CG2-CG2 4.22Å; L85-V88 HydrophobicContact CD1-CG2 3.8Å; L85-V88 HydrophobicContact CD2-CG2 3.72Å; L85-V88 HydrophobicContact CG-CG2 4.09Å; V88-F96 WeakPolarHBondContact CA-O 3.36Å
89	F	94.3	Very high	95.5	Very high	1 Å²	1	36 Å²	36	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.5	172.1	-64.6	-112.1	0	0	0	109.8	Y14 D19 V20 K23 Y24 D87 Y95 F96 F98	Y14-F89 AromaticContact CD1-CD1 3.86Å; Y14-F89 HydrophobicContact CD1-CD1 3.86Å; Y14-F89 AromaticContact CD1-CE1 3.81Å; Y14-F89 HydrophobicContact CD1-CE1 3.81Å; Y14-F89 HydrophobicContact CD2-CB 4.28Å; Y14-F89 AromaticContact CD2-CD1 3.33Å; Y14-F89 HydrophobicContact CD2-CD1 3.33Å; Y14-F89 AromaticContact CD2-CE1 3.69Å; Y14-F89 HydrophobicContact CD2-CE1 3.69Å; Y14-F89 AromaticContact CD2-CG 3.87Å; Y14-F89 HydrophobicContact CD2-CG 3.87Å; Y14-F89 HydrophobicContact CD2-CZ 4.48Å; Y14-F89 HydrophobicContact CE1-CD1 4.18Å; Y14-F89 AromaticContact CE1-CE1 3.68Å; Y14-F89 HydrophobicContact CE1-CE1 3.68Å; Y14-F89 AromaticContact CE2-CD1 3.72Å; Y14-F89 HydrophobicContact CE2-CD1 3.72Å; Y14-F89 AromaticContact CE2-CE1 3.59Å; Y14-F89 HydrophobicContact CE2-CE1 3.59Å; Y14-F89 HydrophobicContact CE2-CG 4.28Å; Y14-F89 HydrophobicContact CE2-CZ 4.04Å; Y14-F89 AromaticContact CG-CD1 3.38Å; Y14-F89 HydrophobicContact CG-CD1 3.38Å; Y14-F89 AromaticContact CG-CE1 3.77Å; Y14-F89 HydrophobicContact CG-CE1 3.77Å; Y14-F89 HydrophobicContact CG-CG 4.27Å; Y14-F89 AromaticContact CZ-CE1 3.55Å; D19-F89 HydrophobicContact CB-CD1 4.44Å; D19-F89 HydrophobicContact CB-CE1 4.48Å; D19-F89 WeakPolarHBondContact O-CE1 3.4Å; V20-F89 HydrophobicContact CB-CD1 4.44Å; V20-F89 HydrophobicContact CG2-CB 3.74Å; V20-F89 HydrophobicContact CG2-CD1 3.77Å; V20-F89 HydrophobicContact CG2-CG 3.86Å; K23-F89 HydrophobicContact CD-CZ 4.12Å; Y24-F89 HydrophobicContact CD2-CE2 4.27Å; Y24-F89 AromaticContact CE2-CE2 3.75Å; Y24-F89 HydrophobicContact CE2-CE2 3.75Å; Y24-F89 HydrophobicContact CE2-CZ 4.14Å; D87-F89 HydrophobicContact CB-CE2 4.24Å; D87-F89 WeakPolarHBondContact OD2-CE2 3.44Å; F89-Y95 WeakPolarHBondContact O-CA 3.39Å; F89-F96 HydrophobicContact CB-CB 4.26Å; F89-F96 HydrophobicContact CB-CD2 4.32Å; F89-F96 PolarHBondContact N-O 2.81Å; F89-F96 PolarHBondContact O-N 3.01Å; F89-F98 AromaticContact CD2-CD2 3.9Å; F89-F98 HydrophobicContact CD2-CD2 3.9Å; F89-F98 AromaticContact CD2-CE2 3.55Å; F89-F98 HydrophobicContact CD2-CE2 3.55Å; F89-F98 HydrophobicContact CE2-CD2 4.11Å; F89-F98 AromaticContact CE2-CE2 3.88Å; F89-F98 HydrophobicContact CE2-CE2 3.88Å; F89-F98 HydrophobicContact CG-CE2 4.47Å
90	E	93.6	Very high	95.4	Very high	82 Å²	82	36.3 Å²	36.3	38%	0.383	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	101.6	173.1	177.1	167.4	-164.7	0	0	109.3	Y14 K57 Y95	Y14-E90 CarbonylContact O-C 3.53Å; K57-E90 IonicContact NZ-OE1 2.76Å; K57-E90 PolarHBondContact NZ-OE1 3.2Å; E90-Y95 HydrophobicContact CB-CD1 4.05Å; E90-Y95 HydrophobicContact CB-CE1 4.15Å; E90-Y95 HydrophobicContact CG-CD1 3.87Å; E90-Y95 HydrophobicContact CG-CE1 3.55Å; E90-Y95 WeakPolarHBondContact OE1-CE1 3.5Å; E90-Y95 VanDerWaalsContact OE1-CZ 3.31Å; E90-Y95 PolarHBondContact OE1-OH 3.18Å
91	T	90.8	Very high	95.3	Very high	3 Å²	3	34 Å²	34	2%	0.018	16%	0.162	C	C	.	.			trans	-89	174.8	174.9	81	0	0	0	0	110.8	Y14 P17 V20 K57 K93 E94 F96	Y14-T91 WeakPolarHBondContact O-CA 3.31Å; P17-T91 HydrophobicContact CG-CG2 4.48Å; V20-T91 HydrophobicContact CG2-CG2 4.19Å; K57-T91 WeakPolarHBondContact CE-O 3.46Å; K57-T91 PolarHBondContact NZ-O 3.39Å; T91-K93 PolarHBondContact O-N 2.9Å; T91-K93 VanDerWaalsContact O-N 3.16Å; T91-K93 PolarHBondContact OG1-N 2.9Å; T91-E94 PolarHBondContact N-O 3.26Å; T91-E94 PolarHBondContact OG1-N 2.94Å; T91-F96 HydrophobicContact CG2-CD2 4.39Å; T91-F96 HydrophobicContact CG2-CE2 3.96Å
92	K	90.5	Very high	95	Very high	163 Å²	163	34.7 Å²	34.7	71%	0.709	17%	0.169	S	C	*	.	S	Bend	trans	-57.8	-27.4	173.3	-67.9	-179.3	-178.8	176.3	0	113.9
93	K	92.6	Very high	94.7	Very high	155 Å²	155	37.6 Å²	37.6	67%	0.674	19%	0.187	S	C	*	.	S	Bend	trans	-111.9	-22.1	-173.3	-67.4	-179.8	179.4	176.1	0	114.2	K57 T91	K57-K93 WeakPolarHBondContact CB-O 3.21Å; K57-K93 WeakPolarHBondContact CG-O 3.31Å; K57-K93 PolarHBondContact N-O 2.87Å; T91-K93 PolarHBondContact O-N 2.9Å; T91-K93 VanDerWaalsContact O-N 3.16Å; T91-K93 PolarHBondContact OG1-N 2.9Å
94	E	94.8	Very high	94.2	Very high	33 Å²	33	37.6 Å²	37.6	15%	0.154	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.5	-161	-64.8	164.2	145	0	0	111.6	K54 F55 L56 K57 T91 F96	K54-E94 WeakPolarHBondContact CE-OE1 3.13Å; K54-E94 IonicContact NZ-OE1 2.81Å; K54-E94 PolarHBondContact NZ-OE1 3.07Å; F55-E94 CarbonylContact O-C 3.56Å; F55-E94 VanDerWaalsContact O-CA 3.28Å; F55-E94 WeakPolarHBondContact O-CA 3.33Å; L56-E94 HydrophobicContact CD2-CG 3.85Å; K57-E94 WeakPolarHBondContact CE-O 3.43Å; T91-E94 PolarHBondContact N-O 3.26Å; T91-E94 PolarHBondContact OG1-N 2.94Å; E94-F96 HydrophobicContact CB-CD2 4.27Å; E94-F96 HydrophobicContact CB-CE2 3.58Å; E94-F96 HydrophobicContact CB-CZ 4.05Å; E94-F96 HydrophobicContact CG-CE2 4.49Å; E94-F96 WeakPolarHBondContact OE2-CZ 3.08Å
95	Y	95.8	Very high	93.5	Very high	5 Å²	5	39 Å²	39	2%	0.02	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140	160.2	-59.3	-87.9	0	0	0	108.9	K54 F55 K57 R64 A67 K68 I71 F89 E90	K54-Y95 CarbonylContact C-O 3.5Å; K54-Y95 WeakPolarHBondContact CA-O 3.15Å; F55-Y95 HydrophobicContact CB-CD2 4.22Å; F55-Y95 PolarHBondContact N-O 3.02Å; F55-Y95 PolarHBondContact O-N 3.32Å; K57-Y95 HydrophobicContact CD-CE2 4.07Å; K57-Y95 VanDerWaalsContact CE-CE2 3.49Å; K57-Y95 WeakPolarHBondContact CE-OH 2.86Å; K57-Y95 HydrophobicContact CG-CD2 3.97Å; K57-Y95 HydrophobicContact CG-CE2 3.62Å; R64-Y95 HydrophobicContact CB-CE2 4.37Å; R64-Y95 HydrophobicContact CG-CE2 4.26Å; A67-Y95 HydrophobicContact CB-CD2 3.55Å; A67-Y95 HydrophobicContact CB-CE2 4.09Å; A67-Y95 HydrophobicContact CB-CG 3.84Å; K68-Y95 WeakPolarHBondContact CE-OH 3.36Å; K68-Y95 HydrophobicContact CG-CE1 4.08Å; I71-Y95 HydrophobicContact CD1-CD1 3.98Å; F89-Y95 WeakPolarHBondContact O-CA 3.39Å; E90-Y95 HydrophobicContact CB-CD1 4.05Å; E90-Y95 HydrophobicContact CB-CE1 4.15Å; E90-Y95 HydrophobicContact CG-CD1 3.87Å; E90-Y95 HydrophobicContact CG-CE1 3.55Å; E90-Y95 WeakPolarHBondContact OE1-CE1 3.5Å; E90-Y95 VanDerWaalsContact OE1-CZ 3.31Å; E90-Y95 PolarHBondContact OE1-OH 3.18Å
96	F	96.5	Very high	92.9	Very high	7 Å²	7	40 Å²	40	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.2	170.8	-57.8	-100	0	0	0	108.6	V20 L26 K53 K54 V88 F89 T91 E94 F98	V20-F96 HydrophobicContact CG1-CD1 4.07Å; V20-F96 HydrophobicContact CG1-CD2 4.32Å; V20-F96 HydrophobicContact CG1-CE1 4.29Å; V20-F96 HydrophobicContact CG1-CG 4.08Å; V20-F96 HydrophobicContact CG2-CD2 3.77Å; V20-F96 HydrophobicContact CG2-CE2 3.84Å; V20-F96 HydrophobicContact CG2-CG 4.33Å; V20-F96 HydrophobicContact CG2-CZ 4.44Å; L26-F96 HydrophobicContact CD1-CD1 4.38Å; L26-F96 HydrophobicContact CD1-CE1 3.92Å; K53-F96 WeakPolarHBondContact O-CA 3.08Å; K54-F96 HydrophobicContact CB-CD1 4.28Å; K54-F96 HydrophobicContact CB-CE1 4.41Å; K54-F96 HydrophobicContact CD-CD1 4.47Å; K54-F96 HydrophobicContact CD-CE1 3.79Å; K54-F96 HydrophobicContact CD-CZ 4.33Å; K54-F96 HydrophobicContact CG-CD1 3.93Å; K54-F96 HydrophobicContact CG-CE1 3.66Å; K54-F96 HydrophobicContact CG-CZ 4.22Å; V88-F96 WeakPolarHBondContact CA-O 3.36Å; F89-F96 HydrophobicContact CB-CB 4.26Å; F89-F96 HydrophobicContact CB-CD2 4.32Å; F89-F96 PolarHBondContact N-O 2.81Å; F89-F96 PolarHBondContact O-N 3.01Å; T91-F96 HydrophobicContact CG2-CD2 4.39Å; T91-F96 HydrophobicContact CG2-CE2 3.96Å; E94-F96 HydrophobicContact CB-CD2 4.27Å; E94-F96 HydrophobicContact CB-CE2 3.58Å; E94-F96 HydrophobicContact CB-CZ 4.05Å; E94-F96 HydrophobicContact CG-CE2 4.49Å; E94-F96 WeakPolarHBondContact OE2-CZ 3.08Å; F96-F98 HydrophobicContact CB-CD2 4.47Å; F96-F98 HydrophobicContact CB-CE2 3.79Å; F96-F98 HydrophobicContact CB-CZ 4.36Å
97	L	96.9	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.4	175.3	-73.5	61.6	0	0	0	107.6	C52 K53 F55 E70 I71 L85	C52-L97 CarbonylContact C-O 3.59Å; C52-L97 WeakPolarHBondContact CA-O 3.49Å; K53-L97 HydrophobicContact CB-CB 4.31Å; K53-L97 PolarHBondContact N-O 3.34Å; K53-L97 PolarHBondContact O-N 3.36Å; F55-L97 HydrophobicContact CD2-CD1 3.94Å; F55-L97 HydrophobicContact CE2-CD1 3.8Å; F55-L97 HydrophobicContact CE2-CD2 4.06Å; F55-L97 HydrophobicContact CE2-CG 4.46Å; E70-L97 HydrophobicContact CB-CD2 4.09Å; E70-L97 HydrophobicContact CG-CD2 3.84Å; I71-L97 HydrophobicContact CD1-CD1 3.79Å; I71-L97 HydrophobicContact CD1-CG 4.3Å; I71-L97 HydrophobicContact CG1-CD1 3.72Å; I71-L97 HydrophobicContact CG1-CD2 3.87Å; I71-L97 HydrophobicContact CG1-CG 3.67Å; L85-L97 HydrophobicContact CD1-CB 4.14Å; L85-L97 HydrophobicContact CD1-CG 4.43Å
98	F	96.8	Very high	91.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121	174.6	-65.4	-90.5	0	0	0	109	V20 Y24 L26 A41 T51 C52 V86 D87 F89 F96	V20-F98 HydrophobicContact CG1-CE2 4.1Å; V20-F98 HydrophobicContact CG1-CZ 3.74Å; Y24-F98 AromaticContact CD1-CD1 3.79Å; Y24-F98 HydrophobicContact CD1-CD1 3.79Å; Y24-F98 AromaticContact CD1-CE1 3.6Å; Y24-F98 HydrophobicContact CD1-CE1 3.6Å; Y24-F98 HydrophobicContact CD1-CZ 4.3Å; Y24-F98 HydrophobicContact CD2-CD1 4.1Å; Y24-F98 HydrophobicContact CD2-CD2 4.3Å; Y24-F98 AromaticContact CD2-CE1 3.56Å; Y24-F98 HydrophobicContact CD2-CE1 3.56Å; Y24-F98 AromaticContact CD2-CE2 3.79Å; Y24-F98 HydrophobicContact CD2-CE2 3.79Å; Y24-F98 HydrophobicContact CD2-CG 4.44Å; Y24-F98 AromaticContact CD2-CZ 3.39Å; Y24-F98 HydrophobicContact CD2-CZ 3.39Å; Y24-F98 AromaticContact CE1-CD1 3.75Å; Y24-F98 HydrophobicContact CE1-CD1 3.75Å; Y24-F98 HydrophobicContact CE1-CE1 4.03Å; Y24-F98 HydrophobicContact CE1-CG 4.24Å; Y24-F98 HydrophobicContact CE2-CD1 4.07Å; Y24-F98 AromaticContact CE2-CD2 3.95Å; Y24-F98 HydrophobicContact CE2-CD2 3.95Å; Y24-F98 AromaticContact CE2-CE1 3.99Å; Y24-F98 HydrophobicContact CE2-CE1 3.99Å; Y24-F98 AromaticContact CE2-CE2 3.88Å; Y24-F98 HydrophobicContact CE2-CE2 3.88Å; Y24-F98 HydrophobicContact CE2-CG 4.05Å; Y24-F98 AromaticContact CE2-CZ 3.9Å; Y24-F98 HydrophobicContact CE2-CZ 3.9Å; Y24-F98 AromaticContact CG-CD1 3.98Å; Y24-F98 HydrophobicContact CG-CD1 3.98Å; Y24-F98 AromaticContact CG-CE1 3.36Å; Y24-F98 HydrophobicContact CG-CE1 3.36Å; Y24-F98 HydrophobicContact CG-CE2 4.44Å; Y24-F98 AromaticContact CG-CZ 3.63Å; Y24-F98 HydrophobicContact CG-CZ 3.63Å; Y24-F98 AromaticContact CZ-CD1 3.91Å; Y24-F98 AromaticContact CZ-CG 3.95Å; L26-F98 HydrophobicContact CD2-CE1 3.99Å; L26-F98 HydrophobicContact CD2-CZ 4.15Å; A41-F98 HydrophobicContact CB-CD1 3.89Å; A41-F98 HydrophobicContact CB-CE1 3.57Å; T51-F98 CarbonylContact O-C 3.23Å; T51-F98 WeakPolarHBondContact O-CA 3.42Å; C52-F98 HydrophobicContact CB-CD1 3.87Å; C52-F98 HydrophobicContact CB-CE1 3.79Å; C52-F98 HydrophobicContact CB-CZ 4.47Å; V86-F98 WeakPolarHBondContact CA-O 3.18Å; V86-F98 WeakPolarHBondContact CB-O 3.4Å; V86-F98 PolarHBondContact N-O 3.1Å; D87-F98 HydrophobicContact CB-CB 4.03Å; D87-F98 HydrophobicContact CB-CD2 4.23Å; D87-F98 HydrophobicContact CB-CG 4.46Å; D87-F98 PolarHBondContact N-O 2.93Å; D87-F98 VanDerWaalsContact N-O 3.12Å; D87-F98 PolarHBondContact O-N 2.8Å; F89-F98 AromaticContact CD2-CD2 3.9Å; F89-F98 HydrophobicContact CD2-CD2 3.9Å; F89-F98 AromaticContact CD2-CE2 3.55Å; F89-F98 HydrophobicContact CD2-CE2 3.55Å; F89-F98 HydrophobicContact CE2-CD2 4.11Å; F89-F98 AromaticContact CE2-CE2 3.88Å; F89-F98 HydrophobicContact CE2-CE2 3.88Å; F89-F98 HydrophobicContact CG-CE2 4.47Å; F96-F98 HydrophobicContact CB-CD2 4.47Å; F96-F98 HydrophobicContact CB-CE2 3.79Å; F96-F98 HydrophobicContact CB-CZ 4.36Å
99	L	96.9	Very high	90.4	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	161.6	-177	-64.8	140.9	0	0	0	109.7	Y50 T51 K53 L74 L83 Q84 L85	Y50-L99 WeakPolarHBondContact CB-O 3.32Å; Y50-L99 WeakPolarHBondContact CD1-O 3.43Å; T51-L99 HydrophobicContact CG2-CD1 4.47Å; T51-L99 PolarHBondContact N-O 3.15Å; T51-L99 PolarHBondContact O-N 3.23Å; K53-L99 HydrophobicContact CD-CD1 4.19Å; K53-L99 HydrophobicContact CG-CD1 3.96Å; L74-L99 HydrophobicContact CD1-CD2 3.69Å; L83-L99 HydrophobicContact CD2-CB 4.04Å; L83-L99 HydrophobicContact CD2-CD2 4.37Å; L83-L99 HydrophobicContact CG-CB 4.36Å; Q84-L99 CarbonylContact O-C 3.58Å; Q84-L99 VanDerWaalsContact O-CA 3.31Å; Q84-L99 WeakPolarHBondContact O-CA 3.16Å; L85-L99 HydrophobicContact CD1-CD2 4.47Å
100	E	96	Very high	89.7	Confident	40 Å²	40	40.2 Å²	40.2	19%	0.187	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	144.9	164.8	-70.6	-173	146.5	0	0	111.5	T51 L83 Q84 V86 A102 Y154	T51-E100 PolarHBondContact OG1-O 2.72Å; L83-E100 HydrophobicContact CD1-CB 4.02Å; L83-E100 WeakPolarHBondContact CD1-O 3.39Å; Q84-E100 HydrophobicContact CB-CG 3.96Å; Q84-E100 PolarHBondContact O-N 2.85Å; V86-E100 HydrophobicContact CG2-CG 4.15Å; E100-A102 PolarHBondContact O-N 2.91Å; E100-Y154 HydrophobicContact CB-CE2 4.18Å
101	L	94.1	Very high	88.8	Confident	28 Å²	28	36.4 Å²	36.4	15%	0.147	18%	0.176	C	C	.	.			trans	-88.6	103.7	176.5	-179	62.6	0	0	0	110.5	R40 M49 T51 T103	R40-L101 HydrophobicContact CG-CD1 4.49Å; M49-L101 HydrophobicContact CB-CD2 3.55Å; T51-L101 WeakPolarHBondContact OG1-CD1 3.16Å; L101-T103 HydrophobicContact CD2-CG2 3.83Å; L101-T103 HydrophobicContact CG-CG2 3.76Å; L101-T103 PolarHBondContact O-N 2.89Å
102	A	93.1	Very high	88.1	Confident	24 Å²	24	38.5 Å²	38.5	20%	0.198	19%	0.186	C	C	.	.			trans	-68.7	124.9	159.7	0	0	0	0	0	109.3	L83 E100 V152 Y154 V163	L83-A102 HydrophobicContact CD1-CB 4.15Å; E100-A102 PolarHBondContact O-N 2.91Å; A102-V152 HydrophobicContact CB-CG1 3.99Å; A102-Y154 CarbonylContact C-O 3.56Å; A102-Y154 WeakPolarHBondContact CA-O 3.32Å; A102-V163 HydrophobicContact CB-CG2 4.22Å
103	T	90.7	Very high	87.5	Confident	61 Å²	61	35.6 Å²	35.6	37%	0.374	18%	0.179	S	C	.	.			trans	-111.1	-4.3	-177.6	54.6	0	0	0	0	113.7	L101 Y154 N155 R156	L101-T103 HydrophobicContact CD2-CG2 3.83Å; L101-T103 HydrophobicContact CG-CG2 3.76Å; L101-T103 PolarHBondContact O-N 2.89Å; T103-Y154 PolarHBondContact N-O 3.48Å; T103-Y154 PolarHBondContact OG1-O 3.19Å; T103-N155 WeakPolarHBondContact OG1-CA 3.13Å; T103-N155 WeakPolarHBondContact OG1-CB 3.37Å; T103-R156 WeakPolarHBondContact O-CG 3.27Å; T103-R156 PolarHBondContact O-NE 3.36Å
104	G	86	Confident	86.7	Confident	12 Å²	12	30.6 Å²	30.6	12%	0.124	16%	0.158	C	C	.	.	S	Bend	trans	-73.4	-144.6	174.3	0	0	0	0	0	112.3	Y153 R156	G104-Y153 WeakPolarHBondContact CA-O 3.32Å; G104-Y153 PolarHBondContact N-O 3.02Å; G104-R156 PolarHBondContact O-NH2 3.48Å
105	R	81.2	Confident	86	Confident	65 Å²	65	32.6 Å²	32.6	25%	0.245	19%	0.187	C	C	.	.			trans	-129.6	165.6	175.5	-69	-172.1	-71.8	-132.8	3.2	109.4	D109 D113 V152 Y153	R105-D109 HydrophobicContact CB-CB 4.05Å; R105-D113 IonicContact CZ-OD2 3.58Å; R105-D113 IonicContact NE-OD2 3.18Å; R105-D113 IonicContact NH1-OD2 3.59Å; R105-D113 PolarHBondContact NH1-OD2 2.97Å; R105-D113 IonicContact NH2-OD2 2.7Å; R105-D113 PolarHBondContact NH2-OD2 2.96Å; R105-V152 WeakPolarHBondContact O-CG1 3.46Å; R105-Y153 PolarHBondContact O-N 3.42Å
106	E	84.9	Confident	85.6	Confident	54 Å²	54	37 Å²	37	25%	0.252	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-53.2	142.6	163.5	-58.9	-176.1	-172	0	0	107.9	K31 F108 D109 W110 L151 V152	K31-E106 IonicContact NZ-OE1 2.84Å; K31-E106 PolarHBondContact NZ-OE1 2.99Å; E106-F108 PolarHBondContact O-N 3.16Å; E106-F108 VanDerWaalsContact O-N 3.09Å; E106-D109 PolarHBondContact O-N 2.61Å; E106-W110 PolarHBondContact O-N 3.13Å; E106-L151 WeakPolarHBondContact CA-O 3.43Å; E106-V152 HydrophobicContact CG-CG2 4.47Å
107	V	80.8	Confident	85.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-51.6	-41.1	-171.7	164.7	0	0	0	0	111.8	W110 I111 V125 L151 Y153 I162 L213	V107-W110 WeakPolarHBondContact O-CB 3.33Å; V107-W110 PolarHBondContact O-N 2.76Å; V107-I111 HydrophobicContact CG1-CD1 3.93Å; V107-I111 WeakPolarHBondContact O-CG1 3.46Å; V107-I111 PolarHBondContact O-N 2.75Å; V107-V125 HydrophobicContact CG1-CG1 4.04Å; V107-V125 HydrophobicContact CG1-CG2 4.25Å; V107-V125 HydrophobicContact CG2-CG1 4.32Å; V107-L151 HydrophobicContact CB-CB 4.44Å; V107-L151 HydrophobicContact CG2-CB 3.83Å; V107-L151 PolarHBondContact N-O 3.13Å; V107-Y153 HydrophobicContact CB-CE2 4.23Å; V107-Y153 HydrophobicContact CG1-CE2 4.3Å; V107-Y153 HydrophobicContact CG2-CD2 4.19Å; V107-Y153 HydrophobicContact CG2-CE2 3.98Å; V107-I162 HydrophobicContact CG2-CD1 3.55Å; V107-I162 HydrophobicContact CG2-CG1 4.4Å; V107-I162 HydrophobicContact CG2-CG2 4.39Å; V107-L213 HydrophobicContact CG1-CD2 4.14Å
108	F	74.8	Confident	85.3	Confident	9 Å²	9	36.9 Å²	36.9	4%	0.039	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-48.2	-176.6	-165.7	-94.5	0	0	0	113.4	E106 W110 I111 L112 L148 I212 I304 F308	E106-F108 PolarHBondContact O-N 3.16Å; E106-F108 VanDerWaalsContact O-N 3.09Å; F108-W110 PolarHBondContact O-N 2.91Å; F108-I111 PolarHBondContact O-N 3.39Å; F108-I111 VanDerWaalsContact O-N 3.14Å; F108-L112 HydrophobicContact CD1-CD1 4.38Å; F108-L112 HydrophobicContact CE1-CD1 4.28Å; F108-L112 PolarHBondContact O-N 3.48Å; F108-L148 HydrophobicContact CD2-CD1 3.89Å; F108-L148 HydrophobicContact CE2-CD1 4.26Å; F108-I212 HydrophobicContact CE2-CG2 4.29Å; F108-I304 HydrophobicContact CD1-CG2 4.46Å; F108-I304 HydrophobicContact CD2-CD1 4.3Å; F108-I304 HydrophobicContact CE1-CB 4.35Å; F108-I304 HydrophobicContact CE1-CD1 4.22Å; F108-I304 HydrophobicContact CE1-CG1 4.28Å; F108-I304 HydrophobicContact CE1-CG2 3.27Å; F108-I304 HydrophobicContact CE2-CD1 3.51Å; F108-I304 HydrophobicContact CE2-CG1 3.71Å; F108-I304 HydrophobicContact CE2-CG2 4.31Å; F108-I304 HydrophobicContact CZ-CB 3.82Å; F108-I304 HydrophobicContact CZ-CD1 3.5Å; F108-I304 VanDerWaalsContact CZ-CD1 3.5Å; F108-I304 HydrophobicContact CZ-CG1 3.37Å; F108-I304 HydrophobicContact CZ-CG2 3.2Å; F108-F308 HydrophobicContact CD1-CE1 4.18Å; F108-F308 HydrophobicContact CD1-CE2 4.11Å; F108-F308 AromaticContact CD1-CZ 3.7Å; F108-F308 HydrophobicContact CD1-CZ 3.7Å; F108-F308 HydrophobicContact CE1-CD1 4.27Å; F108-F308 AromaticContact CE1-CD2 3.69Å; F108-F308 HydrophobicContact CE1-CD2 3.69Å; F108-F308 AromaticContact CE1-CE1 3.77Å; F108-F308 HydrophobicContact CE1-CE1 3.77Å; F108-F308 AromaticContact CE1-CE2 3.13Å; F108-F308 HydrophobicContact CE1-CE2 3.13Å; F108-F308 HydrophobicContact CE1-CG 4.24Å; F108-F308 AromaticContact CE1-CZ 3.16Å; F108-F308 HydrophobicContact CE1-CZ 3.16Å; F108-F308 HydrophobicContact CE2-CE2 4.16Å; F108-F308 AromaticContact CZ-CD2 3.76Å; F108-F308 HydrophobicContact CZ-CD2 3.76Å; F108-F308 AromaticContact CZ-CE2 3.12Å; F108-F308 HydrophobicContact CZ-CE2 3.12Å; F108-F308 AromaticContact CZ-CZ 3.61Å; F108-F308 HydrophobicContact CZ-CZ 3.61Å
109	D	77.9	Confident	85.3	Confident	69 Å²	69	36.9 Å²	36.9	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-26.6	173.7	-74.6	-12.4	0	0	0	112.3	R105 E106	R105-D109 HydrophobicContact CB-CB 4.05Å; E106-D109 PolarHBondContact O-N 2.61Å
110	W	78.3	Confident	85.3	Confident	29 Å²	29	39.8 Å²	39.8	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-72.7	-38.5	175.5	-178.5	94.7	0	0	0	112.1	E106 V107 F108 D113 Q114 Y153	E106-W110 PolarHBondContact O-N 3.13Å; V107-W110 WeakPolarHBondContact O-CB 3.33Å; V107-W110 PolarHBondContact O-N 2.76Å; F108-W110 PolarHBondContact O-N 2.91Å; W110-D113 PolarHBondContact O-N 3.36Å; W110-Q114 HydrophobicContact CD2-CG 4.14Å; W110-Q114 HydrophobicContact CE3-CG 3.89Å; W110-Q114 HydrophobicContact CH2-CG 3.74Å; W110-Q114 HydrophobicContact CZ2-CG 4Å; W110-Q114 HydrophobicContact CZ3-CG 3.68Å; W110-Q114 WeakPolarHBondContact O-CG 3.47Å; W110-Q114 PolarHBondContact O-N 2.66Å; W110-Q114 PolarHBondContact O-NE2 3.36Å; W110-Y153 HydrophobicContact CB-CD2 3.63Å; W110-Y153 HydrophobicContact CB-CE2 3.52Å; W110-Y153 HydrophobicContact CD2-CD2 4.22Å; W110-Y153 AromaticContact CD2-CE2 3.54Å; W110-Y153 HydrophobicContact CD2-CE2 3.54Å; W110-Y153 AromaticContact CD2-CZ 3.72Å; W110-Y153 AromaticContact CE3-CE2 3.72Å; W110-Y153 HydrophobicContact CE3-CE2 3.72Å; W110-Y153 AromaticContact CE3-CZ 3.71Å; W110-Y153 VanDerWaalsContact CE3-OH 3.31Å; W110-Y153 AromaticContact CG-CD2 3.71Å; W110-Y153 HydrophobicContact CG-CD2 3.71Å; W110-Y153 AromaticContact CG-CE2 3.47Å; W110-Y153 HydrophobicContact CG-CE2 3.47Å; W110-Y153 VanDerWaalsContact CG-CE2 3.47Å; W110-Y153 WeakPolarHBondContact CZ3-OH 3.29Å
111	I	76.1	Confident	85.2	Confident	2 Å²	2	40 Å²	40	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-47.1	178.8	-67.2	162.2	0	0	0	111.3	V107 F108 D113 Q114 Y117 L213	V107-I111 HydrophobicContact CG1-CD1 3.93Å; V107-I111 WeakPolarHBondContact O-CG1 3.46Å; V107-I111 PolarHBondContact O-N 2.75Å; F108-I111 PolarHBondContact O-N 3.39Å; F108-I111 VanDerWaalsContact O-N 3.14Å; I111-D113 PolarHBondContact O-N 3.11Å; I111-Q114 PolarHBondContact O-N 3.41Å; I111-Q114 VanDerWaalsContact O-N 3.09Å; I111-Y117 HydrophobicContact CB-CD2 4.43Å; I111-Y117 HydrophobicContact CB-CE2 4.39Å; I111-Y117 HydrophobicContact CD1-CD2 4.44Å; I111-Y117 HydrophobicContact CD1-CE2 3.6Å; I111-Y117 WeakPolarHBondContact CD1-OH 3.41Å; I111-Y117 HydrophobicContact CG1-CD2 3.95Å; I111-Y117 HydrophobicContact CG1-CE2 3.57Å; I111-Y117 HydrophobicContact CG2-CD1 3.86Å; I111-Y117 HydrophobicContact CG2-CD2 3.78Å; I111-Y117 HydrophobicContact CG2-CE1 4Å; I111-Y117 HydrophobicContact CG2-CE2 3.92Å; I111-Y117 HydrophobicContact CG2-CG 3.72Å; I111-L213 HydrophobicContact CD1-CD2 3.52Å
112	L	75.4	Confident	85.2	Confident	46 Å²	46	38.6 Å²	38.6	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-52.9	-40.1	178.3	-75.4	178.5	0	0	0	112.7	F108 K297 C301 I304	F108-L112 HydrophobicContact CD1-CD1 4.38Å; F108-L112 HydrophobicContact CE1-CD1 4.28Å; F108-L112 PolarHBondContact O-N 3.48Å; L112-K297 WeakPolarHBondContact O-CE 3.23Å; L112-K297 PolarHBondContact O-NZ 3.12Å; L112-C301 HydrophobicContact CD2-CB 4.14Å; L112-I304 HydrophobicContact CD1-CG2 4.01Å; L112-I304 HydrophobicContact CD2-CB 4.25Å; L112-I304 HydrophobicContact CD2-CD1 4.33Å; L112-I304 HydrophobicContact CD2-CG2 3.64Å; L112-I304 HydrophobicContact CG-CG2 4.18Å
113	D	78.3	Confident	85.4	Confident	103 Å²	103	37.7 Å²	37.7	55%	0.551	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.4	-177.1	-89.2	21.8	0	0	0	115.1	R105 W110 I111	R105-D113 IonicContact CZ-OD2 3.58Å; R105-D113 IonicContact NE-OD2 3.18Å; R105-D113 IonicContact NH1-OD2 3.59Å; R105-D113 PolarHBondContact NH1-OD2 2.97Å; R105-D113 IonicContact NH2-OD2 2.7Å; R105-D113 PolarHBondContact NH2-OD2 2.96Å; W110-D113 PolarHBondContact O-N 3.36Å; I111-D113 PolarHBondContact O-N 3.11Å
114	Q	75.1	Confident	85.7	Confident	49 Å²	49	37.9 Å²	37.9	23%	0.229	20%	0.201	C	C	.	.			trans	-77.4	159	177	-62.8	-39.8	-67.6	0	0	112.2	W110 I111 Y116 K297	W110-Q114 HydrophobicContact CD2-CG 4.14Å; W110-Q114 HydrophobicContact CE3-CG 3.89Å; W110-Q114 HydrophobicContact CH2-CG 3.74Å; W110-Q114 HydrophobicContact CZ2-CG 4Å; W110-Q114 HydrophobicContact CZ3-CG 3.68Å; W110-Q114 WeakPolarHBondContact O-CG 3.47Å; W110-Q114 PolarHBondContact O-N 2.66Å; W110-Q114 PolarHBondContact O-NE2 3.36Å; I111-Q114 PolarHBondContact O-N 3.41Å; I111-Q114 VanDerWaalsContact O-N 3.09Å; Q114-Y116 WeakPolarHBondContact CB-O 3.3Å; Q114-K297 WeakPolarHBondContact O-CD 3.38Å; Q114-K297 WeakPolarHBondContact O-CE 3.44Å; Q114-K297 PolarHBondContact O-NZ 3.28Å
115	G	80	Confident	86.1	Confident	75 Å²	75	37.5 Å²	37.5	77%	0.773	20%	0.196	S	C	*	.	S	Bend	trans	-81.9	-15.7	167.9	0	0	0	0	0	114
116	Y	88.2	Confident	87	Confident	98 Å²	98	34.5 Å²	34.5	38%	0.384	19%	0.185	S	C	.	.			trans	-151.1	145.6	-171.6	166.6	-80.9	0	0	0	108.4	Q114 S118 D293 N295	Q114-Y116 WeakPolarHBondContact CB-O 3.3Å; Y116-S118 WeakPolarHBondContact OH-CB 3.22Å; Y116-S118 PolarHBondContact OH-OG 3.33Å; Y116-D293 PolarHBondContact OH-O 2.9Å; Y116-N295 HydrophobicContact CD2-CB 3.69Å; Y116-N295 HydrophobicContact CE2-CB 3.74Å
117	Y	91.4	Very high	87.6	Confident	3 Å²	3	35.1 Å²	35.1	1%	0.012	19%	0.185	C	C	.	.			trans	-155.5	133.6	175.4	175.5	-112	0	0	0	110.1	I111 D121 T122 L213 N295 I296 K297 V300	I111-Y117 HydrophobicContact CB-CD2 4.43Å; I111-Y117 HydrophobicContact CB-CE2 4.39Å; I111-Y117 HydrophobicContact CD1-CD2 4.44Å; I111-Y117 HydrophobicContact CD1-CE2 3.6Å; I111-Y117 WeakPolarHBondContact CD1-OH 3.41Å; I111-Y117 HydrophobicContact CG1-CD2 3.95Å; I111-Y117 HydrophobicContact CG1-CE2 3.57Å; I111-Y117 HydrophobicContact CG2-CD1 3.86Å; I111-Y117 HydrophobicContact CG2-CD2 3.78Å; I111-Y117 HydrophobicContact CG2-CE1 4Å; I111-Y117 HydrophobicContact CG2-CE2 3.92Å; I111-Y117 HydrophobicContact CG2-CG 3.72Å; Y117-D121 WeakPolarHBondContact CA-OD2 3.33Å; Y117-D121 HydrophobicContact CD2-CB 3.78Å; Y117-D121 HydrophobicContact CE2-CB 3.91Å; Y117-T122 VanDerWaalsContact CZ-OG1 3.25Å; Y117-T122 PolarHBondContact OH-OG1 3.15Å; Y117-L213 VanDerWaalsContact CE1-O 3.28Å; Y117-L213 WeakPolarHBondContact CE1-O 3.49Å; Y117-L213 PolarHBondContact OH-O 2.84Å; Y117-N295 PolarHBondContact N-OD1 3.38Å; Y117-N295 CarbonylContact O-C 3.55Å; Y117-N295 WeakPolarHBondContact O-CA 3.35Å; Y117-N295 PolarHBondContact O-OD1 2.87Å; Y117-I296 HydrophobicContact CD1-CD1 4.34Å; Y117-I296 HydrophobicContact CD1-CG1 3.93Å; Y117-I296 HydrophobicContact CE1-CD1 4.2Å; Y117-I296 HydrophobicContact CE1-CG1 4.3Å; Y117-I296 WeakPolarHBondContact O-CG1 3.47Å; Y117-I296 PolarHBondContact O-N 2.77Å; Y117-K297 PolarHBondContact O-N 2.99Å; Y117-V300 HydrophobicContact CE1-CG1 4.21Å; Y117-V300 HydrophobicContact CE1-CG2 4.46Å
118	S	95	Very high	88.4	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.007	19%	0.192	C	C	.	.			trans	-133.2	171.7	-177.5	65.9	0	0	0	0	114	Y116 R120 D121 T122 S292 K294	Y116-S118 WeakPolarHBondContact OH-CB 3.22Å; Y116-S118 PolarHBondContact OH-OG 3.33Å; S118-R120 PolarHBondContact O-N 2.82Å; S118-R120 WeakPolarHBondContact OG-CB 3.45Å; S118-R120 PolarHBondContact OG-N 3.19Å; S118-D121 PolarHBondContact N-OD2 2.79Å; S118-D121 VanDerWaalsContact N-OD2 3.11Å; S118-D121 PolarHBondContact O-N 3Å; S118-D121 VanDerWaalsContact O-N 3.12Å; S118-D121 PolarHBondContact OG-OD2 3.11Å; S118-T122 PolarHBondContact O-N 2.95Å; S118-T122 VanDerWaalsContact O-N 3.14Å; S118-T122 PolarHBondContact O-OG1 3.03Å; S118-T122 VanDerWaalsContact O-OG1 3.12Å; S118-S292 WeakPolarHBondContact CB-O 3.29Å; S118-K294 WeakPolarHBondContact CA-O 3.15Å; S118-K294 WeakPolarHBondContact CB-O 3.3Å
119	E	97.3	Very high	89.6	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-55.7	-35.1	168.4	-74.7	179	-138.1	0	0	111.4	D121 T122 S123 L214 I255 S256 W285 A291 S292	E119-D121 VanDerWaalsContact C-N 3.34Å; E119-D121 PolarHBondContact O-N 3.07Å; E119-T122 WeakPolarHBondContact O-CB 3.24Å; E119-T122 PolarHBondContact O-N 3.2Å; E119-S123 VanDerWaalsContact O-CB 3.3Å; E119-S123 WeakPolarHBondContact O-CB 3.4Å; E119-S123 PolarHBondContact O-N 3.06Å; E119-L214 HydrophobicContact CB-CD2 4.5Å; E119-L214 HydrophobicContact CG-CD2 3.89Å; E119-I255 HydrophobicContact CG-CD1 4.42Å; E119-I255 WeakPolarHBondContact OE1-CA 3.41Å; E119-S256 PolarHBondContact OE1-N 3.21Å; E119-S256 PolarHBondContact OE1-OG 2.86Å; E119-S256 WeakPolarHBondContact OE2-CB 3.42Å; E119-S256 PolarHBondContact OE2-OG 2.55Å; E119-W285 HydrophobicContact CB-CZ2 3.81Å; E119-W285 HydrophobicContact CG-CZ2 4.2Å; E119-W285 WeakPolarHBondContact O-CZ2 3.34Å; E119-W285 PolarHBondContact OE2-NE1 3.06Å; E119-A291 HydrophobicContact CB-CB 4.07Å; E119-S292 WeakPolarHBondContact CB-O 3.4Å; E119-S292 PolarHBondContact N-O 2.87Å; E119-S292 WeakPolarHBondContact OE1-CB 3.45Å; E119-S292 PolarHBondContact OE2-N 3.25Å
120	R	96.3	Very high	90.6	Very high	66 Å²	66	33 Å²	33	25%	0.249	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-41.5	175.3	-171.6	73.2	68	-153.1	1.5	112.6	S118 N124 G289 A291 S292 D293	S118-R120 PolarHBondContact O-N 2.82Å; S118-R120 WeakPolarHBondContact OG-CB 3.45Å; S118-R120 PolarHBondContact OG-N 3.19Å; R120-N124 PolarHBondContact O-N 2.76Å; R120-N124 VanDerWaalsContact O-N 3.08Å; R120-N124 PolarHBondContact O-ND2 3.31Å; R120-G289 PolarHBondContact NH1-O 3.43Å; R120-G289 PolarHBondContact NH2-O 3.49Å; R120-A291 PolarHBondContact NH1-O 3.05Å; R120-A291 VanDerWaalsContact NH1-O 3.11Å; R120-A291 PolarHBondContact NH2-O 3.05Å; R120-S292 PolarHBondContact N-O 2.99Å; R120-D293 VanDerWaalsContact CB-OD1 3.24Å; R120-D293 WeakPolarHBondContact CB-OD1 3.35Å; R120-D293 VanDerWaalsContact CG-OD1 3.31Å; R120-D293 WeakPolarHBondContact CG-OD1 3.31Å; R120-D293 IonicContact CZ-OD2 3.36Å; R120-D293 IonicContact NE-OD1 3.25Å; R120-D293 PolarHBondContact NE-OD1 3.27Å; R120-D293 VanDerWaalsContact NE-OD1 3.13Å; R120-D293 IonicContact NE-OD2 2.65Å; R120-D293 PolarHBondContact NE-OD2 2.65Å; R120-D293 IonicContact NH2-OD2 3.13Å; R120-D293 PolarHBondContact NH2-OD2 3.49Å
121	D	93.8	Very high	91.5	Very high	44 Å²	44	34.3 Å²	34.3	24%	0.235	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-43	175.5	-66.2	-47.9	0	0	0	110.6	Y117 S118 E119 N124 V125	Y117-D121 WeakPolarHBondContact CA-OD2 3.33Å; Y117-D121 HydrophobicContact CD2-CB 3.78Å; Y117-D121 HydrophobicContact CE2-CB 3.91Å; S118-D121 PolarHBondContact N-OD2 2.79Å; S118-D121 VanDerWaalsContact N-OD2 3.11Å; S118-D121 PolarHBondContact O-N 3Å; S118-D121 VanDerWaalsContact O-N 3.12Å; S118-D121 PolarHBondContact OG-OD2 3.11Å; E119-D121 VanDerWaalsContact C-N 3.34Å; E119-D121 PolarHBondContact O-N 3.07Å; D121-N124 PolarHBondContact O-N 2.85Å; D121-V125 PolarHBondContact O-N 2.97Å; D121-V125 VanDerWaalsContact O-N 3.17Å
122	T	95.1	Very high	92.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-46.9	176.2	-46.6	0	0	0	0	111.9	Y117 S118 E119 N124 V125 V126 L213 L214 W285	Y117-T122 VanDerWaalsContact CZ-OG1 3.25Å; Y117-T122 PolarHBondContact OH-OG1 3.15Å; S118-T122 PolarHBondContact O-N 2.95Å; S118-T122 VanDerWaalsContact O-N 3.14Å; S118-T122 PolarHBondContact O-OG1 3.03Å; S118-T122 VanDerWaalsContact O-OG1 3.12Å; E119-T122 WeakPolarHBondContact O-CB 3.24Å; E119-T122 PolarHBondContact O-N 3.2Å; T122-N124 VanDerWaalsContact C-N 3.34Å; T122-N124 PolarHBondContact O-N 3.49Å; T122-V125 WeakPolarHBondContact O-CB 3.13Å; T122-V125 PolarHBondContact O-N 3.14Å; T122-V125 VanDerWaalsContact O-N 3.1Å; T122-V126 HydrophobicContact CG2-CG2 4.2Å; T122-V126 VanDerWaalsContact O-CG2 3.31Å; T122-V126 WeakPolarHBondContact O-CG2 3.44Å; T122-V126 PolarHBondContact O-N 3.33Å; T122-L213 HydrophobicContact CG2-CB 3.58Å; T122-L213 HydrophobicContact CG2-CD1 4.14Å; T122-L214 HydrophobicContact CG2-CD2 3.86Å; T122-L214 HydrophobicContact CG2-CG 4.11Å; T122-W285 HydrophobicContact CG2-CH2 3.89Å
123	S	97.9	Very high	93.7	Very high	4 Å²	4	32 Å²	32	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-41.7	178.2	177	0	0	0	0	111.5	E119 V125 V126 R127 W285	E119-S123 VanDerWaalsContact O-CB 3.3Å; E119-S123 WeakPolarHBondContact O-CB 3.4Å; E119-S123 PolarHBondContact O-N 3.06Å; S123-V125 VanDerWaalsContact C-N 3.33Å; S123-V125 PolarHBondContact O-N 3.47Å; S123-V126 PolarHBondContact O-N 2.86Å; S123-R127 WeakPolarHBondContact O-CB 3.48Å; S123-R127 PolarHBondContact O-N 3.12Å; S123-W285 VanDerWaalsContact CA-CZ3 3.41Å; S123-W285 PolarHBondContact OG-O 2.77Å
124	N	95.7	Very high	94.7	Very high	65 Å²	65	27.8 Å²	27.8	35%	0.348	15%	0.147	S	C	.	.	H	α-helix	trans	-64.8	-31.6	174.3	-82	-59.2	0	0	0	114.2	R120 D121 T122 R127 Q128	R120-N124 PolarHBondContact O-N 2.76Å; R120-N124 VanDerWaalsContact O-N 3.08Å; R120-N124 PolarHBondContact O-ND2 3.31Å; D121-N124 PolarHBondContact O-N 2.85Å; T122-N124 VanDerWaalsContact C-N 3.34Å; T122-N124 PolarHBondContact O-N 3.49Å; N124-R127 PolarHBondContact OD1-NH2 3.5Å; N124-Q128 PolarHBondContact O-NE2 2.63Å
125	V	95.7	Very high	95.8	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.024	15%	0.147	C	C	.	.	H	α-helix	trans	-71.7	-55	172.1	168.5	0	0	0	0	110.1	V107 D121 T122 S123 R127 Q128 V129 I162 L213	V107-V125 HydrophobicContact CG1-CG1 4.04Å; V107-V125 HydrophobicContact CG1-CG2 4.25Å; V107-V125 HydrophobicContact CG2-CG1 4.32Å; D121-V125 PolarHBondContact O-N 2.97Å; D121-V125 VanDerWaalsContact O-N 3.17Å; T122-V125 WeakPolarHBondContact O-CB 3.13Å; T122-V125 PolarHBondContact O-N 3.14Å; T122-V125 VanDerWaalsContact O-N 3.1Å; S123-V125 VanDerWaalsContact C-N 3.33Å; S123-V125 PolarHBondContact O-N 3.47Å; V125-R127 VanDerWaalsContact C-N 3.31Å; V125-R127 PolarHBondContact O-N 3.18Å; V125-Q128 PolarHBondContact O-N 2.86Å; V125-Q128 VanDerWaalsContact O-N 3.12Å; V125-V129 PolarHBondContact O-N 3.46Å; V125-I162 HydrophobicContact CG1-CG1 4.28Å; V125-I162 HydrophobicContact CG2-CD1 4.29Å; V125-I162 HydrophobicContact CG2-CG1 4.29Å; V125-L213 HydrophobicContact CG1-CD1 4.15Å
126	V	98.1	Very high	96.7	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-59.9	-40.8	-175.7	173.8	0	0	0	0	111.1	T122 S123 Q128 V129 L130 I206 M210 L213 I286	T122-V126 HydrophobicContact CG2-CG2 4.2Å; T122-V126 VanDerWaalsContact O-CG2 3.31Å; T122-V126 WeakPolarHBondContact O-CG2 3.44Å; T122-V126 PolarHBondContact O-N 3.33Å; S123-V126 PolarHBondContact O-N 2.86Å; V126-Q128 PolarHBondContact O-N 3.35Å; V126-V129 PolarHBondContact O-N 3.14Å; V126-V129 VanDerWaalsContact O-N 3.15Å; V126-L130 HydrophobicContact CG1-CD1 3.79Å; V126-L130 HydrophobicContact CG1-CG 4.13Å; V126-L130 WeakPolarHBondContact O-CB 3.4Å; V126-L130 WeakPolarHBondContact O-CG 3.38Å; V126-L130 PolarHBondContact O-N 3.12Å; V126-I206 HydrophobicContact CG1-CG2 3.98Å; V126-M210 HydrophobicContact CG1-SD 4.49Å; V126-M210 HydrophobicContact CG2-CB 4.21Å; V126-M210 HydrophobicContact CG2-CG 4.26Å; V126-L213 HydrophobicContact CG2-CD1 4.46Å; V126-I286 HydrophobicContact CB-CD1 4.15Å; V126-I286 HydrophobicContact CG1-CD1 3.88Å
127	R	98.5	Very high	97.2	Very high	68 Å²	68	20.8 Å²	20.8	26%	0.257	10%	0.096	S	C	.	.	H	α-helix	trans	-55.1	-46.8	174.8	-172.8	173.1	53.5	73.7	1.1	112.7	S123 N124 V125 V129 L130 E131 I286	S123-R127 WeakPolarHBondContact O-CB 3.48Å; S123-R127 PolarHBondContact O-N 3.12Å; N124-R127 PolarHBondContact OD1-NH2 3.5Å; V125-R127 VanDerWaalsContact C-N 3.31Å; V125-R127 PolarHBondContact O-N 3.18Å; R127-V129 VanDerWaalsContact C-N 3.31Å; R127-V129 PolarHBondContact O-N 3.3Å; R127-L130 PolarHBondContact O-N 2.79Å; R127-E131 HydrophobicContact CG-CG 4.45Å; R127-E131 WeakPolarHBondContact CG-OE1 3.37Å; R127-E131 IonicContact CZ-OE1 3.55Å; R127-E131 IonicContact NH1-OE1 2.94Å; R127-E131 PolarHBondContact NH1-OE1 2.92Å; R127-E131 IonicContact NH1-OE2 3.84Å; R127-E131 WeakPolarHBondContact O-CB 3.41Å; R127-E131 VanDerWaalsContact O-CG 3.24Å; R127-E131 WeakPolarHBondContact O-CG 3.44Å; R127-E131 PolarHBondContact O-N 2.78Å; R127-I286 HydrophobicContact CB-CG2 3.75Å; R127-I286 HydrophobicContact CG-CG2 3.61Å
128	Q	98.3	Very high	97.5	Very high	30 Å²	30	24.5 Å²	24.5	14%	0.14	12%	0.123	C	C	.	.	H	α-helix	trans	-67.3	-31.8	179.6	-74.8	174.6	83.2	0	0	113	N81 N124 V125 V126 A132 K161 I162	N81-Q128 PolarHBondContact ND2-OE1 2.87Å; N124-Q128 PolarHBondContact O-NE2 2.63Å; V125-Q128 PolarHBondContact O-N 2.86Å; V125-Q128 VanDerWaalsContact O-N 3.12Å; V126-Q128 PolarHBondContact O-N 3.35Å; Q128-A132 PolarHBondContact O-N 2.88Å; Q128-K161 VanDerWaalsContact OE1-CA 3.27Å; Q128-I162 HydrophobicContact CB-CB 4.25Å
129	V	98.6	Very high	97.6	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-71.5	-45.9	174	-179.9	0	0	0	0	110.1	V125 V126 R127 E131 A132 V133 L151 I162 I164 I206	V125-V129 PolarHBondContact O-N 3.46Å; V126-V129 PolarHBondContact O-N 3.14Å; V126-V129 VanDerWaalsContact O-N 3.15Å; R127-V129 VanDerWaalsContact C-N 3.31Å; R127-V129 PolarHBondContact O-N 3.3Å; V129-E131 PolarHBondContact O-N 3.32Å; V129-A132 PolarHBondContact O-N 3.36Å; V129-V133 HydrophobicContact CG1-CG2 4.34Å; V129-V133 WeakPolarHBondContact O-CB 3.33Å; V129-V133 VanDerWaalsContact O-CG2 3.29Å; V129-V133 WeakPolarHBondContact O-CG2 3.47Å; V129-V133 PolarHBondContact O-N 2.77Å; V129-L151 HydrophobicContact CG1-CD2 4.39Å; V129-L151 HydrophobicContact CG2-CD1 3.8Å; V129-L151 HydrophobicContact CG2-CD2 3.79Å; V129-L151 HydrophobicContact CG2-CG 4.44Å; V129-I162 HydrophobicContact CG2-CG2 4.28Å; V129-I164 HydrophobicContact CG1-CD1 4.36Å; V129-I206 HydrophobicContact CG1-CD1 4.06Å; V129-I206 HydrophobicContact CG1-CG1 3.94Å
130	L	98.8	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-44.6	175	-72.9	169.8	0	0	0	111.8	V126 R127 A132 V133 A134 I206 A277 A280 I281 I286	V126-L130 HydrophobicContact CG1-CD1 3.79Å; V126-L130 HydrophobicContact CG1-CG 4.13Å; V126-L130 WeakPolarHBondContact O-CB 3.4Å; V126-L130 WeakPolarHBondContact O-CG 3.38Å; V126-L130 PolarHBondContact O-N 3.12Å; R127-L130 PolarHBondContact O-N 2.79Å; L130-A132 PolarHBondContact O-N 3.43Å; L130-V133 PolarHBondContact O-N 3Å; L130-A134 VanDerWaalsContact O-CB 3.26Å; L130-A134 WeakPolarHBondContact O-CB 3.5Å; L130-A134 PolarHBondContact O-N 3.13Å; L130-I206 HydrophobicContact CD2-CD1 3.78Å; L130-I206 HydrophobicContact CD2-CG2 4.03Å; L130-I206 HydrophobicContact CG-CD1 4.46Å; L130-I206 HydrophobicContact CG-CG2 4.27Å; L130-A277 HydrophobicContact CD2-CB 4.15Å; L130-A280 HydrophobicContact CD1-CB 3.91Å; L130-A280 HydrophobicContact CD2-CB 3.76Å; L130-I281 HydrophobicContact CB-CD1 4.3Å; L130-I281 HydrophobicContact CB-CG1 3.66Å; L130-I286 HydrophobicContact CD1-CD1 4.13Å; L130-I286 HydrophobicContact CD1-CG1 4.17Å
131	E	98.8	Very high	97.6	Very high	57 Å²	57	28.9 Å²	28.9	27%	0.266	15%	0.147	S	C	.	.	H	α-helix	trans	-57	-46.9	174.7	-75.5	165	-176.4	0	0	111.6	R127 V129 Y135 I281	R127-E131 HydrophobicContact CG-CG 4.45Å; R127-E131 WeakPolarHBondContact CG-OE1 3.37Å; R127-E131 IonicContact CZ-OE1 3.55Å; R127-E131 IonicContact NH1-OE1 2.94Å; R127-E131 PolarHBondContact NH1-OE1 2.92Å; R127-E131 IonicContact NH1-OE2 3.84Å; R127-E131 WeakPolarHBondContact O-CB 3.41Å; R127-E131 VanDerWaalsContact O-CG 3.24Å; R127-E131 WeakPolarHBondContact O-CG 3.44Å; R127-E131 PolarHBondContact O-N 2.78Å; V129-E131 PolarHBondContact O-N 3.32Å; E131-Y135 WeakPolarHBondContact O-CB 3.39Å; E131-Y135 PolarHBondContact O-N 3.18Å; E131-Y135 VanDerWaalsContact O-N 3.11Å; E131-I281 HydrophobicContact CG-CD1 4.14Å
132	A	98.7	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.6	-39.3	175.8	0	0	0	0	0	113.4	N81 I82 Q128 V129 L130 Y135 L136 I164	N81-A132 HydrophobicContact CB-CB 4.02Å; I82-A132 HydrophobicContact CG1-CB 4.18Å; Q128-A132 PolarHBondContact O-N 2.88Å; V129-A132 PolarHBondContact O-N 3.36Å; L130-A132 PolarHBondContact O-N 3.43Å; A132-Y135 WeakPolarHBondContact O-CB 3.5Å; A132-Y135 PolarHBondContact O-N 3.22Å; A132-L136 WeakPolarHBondContact O-CG 3.36Å; A132-L136 PolarHBondContact O-N 2.93Å; A132-I164 HydrophobicContact CB-CD1 3.64Å; A132-I164 HydrophobicContact CB-CG1 4.4Å
133	V	98.8	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-77	-38.5	-176.9	171.7	0	0	0	0	111.1	V129 L130 Y135 L136 H137 L146 I164 D202 I206 A277	V129-V133 HydrophobicContact CG1-CG2 4.34Å; V129-V133 WeakPolarHBondContact O-CB 3.33Å; V129-V133 VanDerWaalsContact O-CG2 3.29Å; V129-V133 WeakPolarHBondContact O-CG2 3.47Å; V129-V133 PolarHBondContact O-N 2.77Å; L130-V133 PolarHBondContact O-N 3Å; V133-Y135 VanDerWaalsContact C-N 3.29Å; V133-Y135 PolarHBondContact O-N 2.92Å; V133-L136 PolarHBondContact O-N 2.83Å; V133-H137 WeakPolarHBondContact CG1-NE2 3.24Å; V133-H137 VanDerWaalsContact O-CB 3.3Å; V133-H137 WeakPolarHBondContact O-CB 3.33Å; V133-H137 PolarHBondContact O-CD2 2.72Å; V133-H137 VanDerWaalsContact O-CD2 3.25Å; V133-H137 PolarHBondContact O-N 2.85Å; V133-L146 HydrophobicContact CG2-CD1 3.71Å; V133-L146 HydrophobicContact CG2-CD2 4.33Å; V133-I164 HydrophobicContact CG2-CD1 4.08Å; V133-D202 HydrophobicContact CG1-CB 3.84Å; V133-I206 HydrophobicContact CB-CD1 4.09Å; V133-I206 HydrophobicContact CG1-CD1 4.12Å; V133-I206 HydrophobicContact CG2-CD1 4.04Å; V133-A277 HydrophobicContact CB-CB 4.38Å; V133-A277 HydrophobicContact CG1-CB 4.02Å
134	A	98.8	Very high	97.8	Very high	13 Å²	13	28.1 Å²	28.1	11%	0.107	14%	0.14	C	C	.	.	H	α-helix	trans	-58	-42.3	169.4	0	0	0	0	0	111.4	L130 H137 S138 A277 Q278 I281	L130-A134 VanDerWaalsContact O-CB 3.26Å; L130-A134 WeakPolarHBondContact O-CB 3.5Å; L130-A134 PolarHBondContact O-N 3.13Å; A134-H137 PolarHBondContact O-N 3.23Å; A134-S138 PolarHBondContact O-N 2.92Å; A134-A277 HydrophobicContact CB-CB 4.03Å; A134-Q278 HydrophobicContact CB-CB 4.49Å; A134-I281 HydrophobicContact CB-CD1 3.92Å
135	Y	98.8	Very high	97.8	Very high	59 Å²	59	25.6 Å²	25.6	23%	0.231	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-49.3	171.7	170.9	-100.3	0	0	0	112.8	V77 K78 H79 I82 E131 A132 V133 H137 S138 L139	V77-Y135 HydrophobicContact CB-CE1 4.01Å; V77-Y135 HydrophobicContact CG1-CE1 4.36Å; K78-Y135 PolarHBondContact N-OH 3.04Å; K78-Y135 PolarHBondContact O-OH 3.38Å; H79-Y135 HydrophobicContact CB-CD1 3.68Å; H79-Y135 HydrophobicContact CB-CE1 3.84Å; H79-Y135 HydrophobicContact CB-CG 4.25Å; H79-Y135 AromaticContact CD2-CG 3.7Å; H79-Y135 AromaticContact CG-CD1 3.98Å; I82-Y135 HydrophobicContact CD1-CD1 4.01Å; I82-Y135 HydrophobicContact CD1-CE1 4.26Å; E131-Y135 WeakPolarHBondContact O-CB 3.39Å; E131-Y135 PolarHBondContact O-N 3.18Å; E131-Y135 VanDerWaalsContact O-N 3.11Å; A132-Y135 WeakPolarHBondContact O-CB 3.5Å; A132-Y135 PolarHBondContact O-N 3.22Å; V133-Y135 VanDerWaalsContact C-N 3.29Å; V133-Y135 PolarHBondContact O-N 2.92Å; Y135-H137 VanDerWaalsContact C-N 3.3Å; Y135-H137 PolarHBondContact O-N 3.19Å; Y135-S138 PolarHBondContact O-N 3.26Å; Y135-S138 PolarHBondContact O-OG 3.47Å; Y135-L139 HydrophobicContact CE1-CD1 3.84Å; Y135-L139 HydrophobicContact CE2-CD1 4.13Å; Y135-L139 PolarHBondContact O-N 3.12Å
136	L	98.6	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.5	-44	175	-70.5	170.7	0	0	0	112	V77 I82 A132 V133 S138 L139 H140 I141 H143 F167	V77-L136 HydrophobicContact CB-CD2 4.4Å; V77-L136 HydrophobicContact CG1-CD2 3.58Å; I82-L136 HydrophobicContact CD1-CD1 4.29Å; I82-L136 HydrophobicContact CD1-CD2 3.77Å; I82-L136 HydrophobicContact CD1-CG 3.92Å; A132-L136 WeakPolarHBondContact O-CG 3.36Å; A132-L136 PolarHBondContact O-N 2.93Å; V133-L136 PolarHBondContact O-N 2.83Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 2.93Å; L136-L139 CarbonylContact O-C 3.55Å; L136-L139 WeakPolarHBondContact O-CA 3.26Å; L136-L139 WeakPolarHBondContact O-CB 3.49Å; L136-L139 PolarHBondContact O-N 3.25Å; L136-H140 PolarHBondContact O-N 3.24Å; L136-I141 CarbonylContact C-O 3.57Å; L136-I141 HydrophobicContact CB-CB 4.31Å; L136-I141 HydrophobicContact CD2-CB 4.24Å; L136-I141 HydrophobicContact CD2-CD1 4.46Å; L136-I141 HydrophobicContact CD2-CG2 4.02Å; L136-I141 PolarHBondContact O-N 3.48Å; L136-H143 HydrophobicContact CD1-CB 4.42Å; L136-F167 HydrophobicContact CD1-CE1 3.8Å; L136-F167 HydrophobicContact CD1-CZ 4.34Å; L136-F167 HydrophobicContact CD2-CE1 3.87Å; L136-F167 HydrophobicContact CG-CE1 4.48Å
137	H	98.1	Very high	97.6	Very high	17 Å²	17	26.9 Å²	26.9	8%	0.079	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-35.9	-179.6	-73.6	-167.3	0	0	0	112.1	V133 A134 Y135 L139 H140 I141 R199 D202	V133-H137 WeakPolarHBondContact CG1-NE2 3.24Å; V133-H137 VanDerWaalsContact O-CB 3.3Å; V133-H137 WeakPolarHBondContact O-CB 3.33Å; V133-H137 PolarHBondContact O-CD2 2.72Å; V133-H137 VanDerWaalsContact O-CD2 3.25Å; V133-H137 PolarHBondContact O-N 2.85Å; A134-H137 PolarHBondContact O-N 3.23Å; Y135-H137 VanDerWaalsContact C-N 3.3Å; Y135-H137 PolarHBondContact O-N 3.19Å; H137-L139 PolarHBondContact O-N 2.87Å; H137-H140 PolarHBondContact O-N 2.83Å; H137-I141 PolarHBondContact CD2-O 3.27Å; H137-R199 HydrophobicContact CB-CG 4.1Å; H137-R199 PolarHBondContact CE1-O 3.41Å; H137-R199 PolarHBondContact NE2-O 3.11Å; H137-D202 IonicContact CD2-OD2 2.75Å; H137-D202 IonicContact CE1-OD2 2.87Å; H137-D202 IonicContact NE2-OD2 3.59Å; H137-D202 PolarHBondContact NE2-OD2 2.95Å
138	S	97.8	Very high	97.2	Very high	81 Å²	81	24.2 Å²	24.2	57%	0.566	12%	0.123	S	C	*	.	H	α-helix	trans	-64.2	-22.2	171.8	79.9	0	0	0	0	114	A134 Y135 L136 H140	A134-S138 PolarHBondContact O-N 2.92Å; Y135-S138 PolarHBondContact O-N 3.26Å; Y135-S138 PolarHBondContact O-OG 3.47Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 2.93Å; S138-H140 VanDerWaalsContact C-N 3.35Å
139	L	97.4	Very high	96.7	Very high	58 Å²	58	25.9 Å²	25.9	30%	0.304	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	9.6	173.3	-62.2	179.9	0	0	0	112.4	V77 Y135 L136 H137 I141 L172	V77-L139 HydrophobicContact CG1-CD1 4.17Å; Y135-L139 HydrophobicContact CE1-CD1 3.84Å; Y135-L139 HydrophobicContact CE2-CD1 4.13Å; Y135-L139 PolarHBondContact O-N 3.12Å; L136-L139 CarbonylContact O-C 3.55Å; L136-L139 WeakPolarHBondContact O-CA 3.26Å; L136-L139 WeakPolarHBondContact O-CB 3.49Å; L136-L139 PolarHBondContact O-N 3.25Å; H137-L139 PolarHBondContact O-N 2.87Å; L139-I141 HydrophobicContact CB-CD1 3.98Å; L139-I141 HydrophobicContact CB-CG1 4.21Å; L139-I141 HydrophobicContact CD1-CD1 4.34Å; L139-I141 PolarHBondContact O-N 2.89Å; L139-L172 WeakPolarHBondContact O-CD1 3.33Å
140	H	96.2	Very high	96.4	Very high	102 Å²	102	26.1 Å²	26.1	47%	0.472	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	29.6	-172	-55.9	-76.5	0	0	0	113.7	L136 H137 S138 L172 E173	L136-H140 PolarHBondContact O-N 3.24Å; H137-H140 PolarHBondContact O-N 2.83Å; S138-H140 VanDerWaalsContact C-N 3.35Å; H140-L172 HydrophobicContact CB-CD1 4.41Å; H140-L172 CarbonylContact O-C 3.55Å; H140-L172 WeakPolarHBondContact O-CA 3.34Å; H140-E173 HydrophobicContact CB-CB 4.29Å; H140-E173 WeakPolarHBondContact O-CB 3.45Å; H140-E173 PolarHBondContact O-N 2.91Å
141	I	97.4	Very high	96.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.2	176.3	-62	166.8	0	0	0	109.1	I73 M76 V77 L136 H137 L139 A170 L172	I73-I141 HydrophobicContact CD1-CD1 4.4Å; I73-I141 HydrophobicContact CD1-CG1 4.31Å; I73-I141 HydrophobicContact CD1-CG2 4.14Å; I73-I141 HydrophobicContact CG2-CD1 4.41Å; I73-I141 HydrophobicContact CG2-CG2 4.1Å; M76-I141 HydrophobicContact CB-CD1 4.43Å; V77-I141 HydrophobicContact CG1-CD1 3.56Å; L136-I141 CarbonylContact C-O 3.57Å; L136-I141 HydrophobicContact CB-CB 4.31Å; L136-I141 HydrophobicContact CD2-CB 4.24Å; L136-I141 HydrophobicContact CD2-CD1 4.46Å; L136-I141 HydrophobicContact CD2-CG2 4.02Å; L136-I141 PolarHBondContact O-N 3.48Å; H137-I141 PolarHBondContact CD2-O 3.27Å; L139-I141 HydrophobicContact CB-CD1 3.98Å; L139-I141 HydrophobicContact CB-CG1 4.21Å; L139-I141 HydrophobicContact CD1-CD1 4.34Å; L139-I141 PolarHBondContact O-N 2.89Å; I141-A170 HydrophobicContact CG2-CB 4.24Å; I141-L172 HydrophobicContact CG1-CD1 3.71Å
142	V	97.4	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.2	170.3	-164.7	0	0	0	0	108.5	R144 A170 K171 E173 I177 R199 V201 D202	V142-R144 HydrophobicContact CB-CG 3.88Å; V142-R144 HydrophobicContact CG1-CG 3.51Å; V142-A170 CarbonylContact O-C 3.55Å; V142-A170 WeakPolarHBondContact O-CA 3.43Å; V142-K171 PolarHBondContact N-O 3.02Å; V142-K171 PolarHBondContact O-N 3.42Å; V142-E173 HydrophobicContact CG2-CB 4.23Å; V142-I177 HydrophobicContact CB-CD1 4.49Å; V142-I177 HydrophobicContact CG2-CD1 4.12Å; V142-R199 HydrophobicContact CG2-CG 3.94Å; V142-V201 HydrophobicContact CG1-CG2 3.62Å; V142-D202 WeakPolarHBondContact CA-OD2 3.29Å; V142-D202 WeakPolarHBondContact CG1-OD2 3.49Å
143	H	98	Very high	95.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.128	C	C	.	.			trans	-76.6	-45.3	-176.8	-169.8	-90.9	0	0	0	112.3	L136 N145 L146 I164 D166 F167 L169 A170 D202	L136-H143 HydrophobicContact CD1-CB 4.42Å; H143-N145 PolarHBondContact CE1-O 3.37Å; H143-N145 VanDerWaalsContact ND1-C 3.29Å; H143-N145 PolarHBondContact ND1-N 3.13Å; H143-N145 PolarHBondContact ND1-O 3.26Å; H143-N145 PolarHBondContact O-N 3.02Å; H143-L146 HydrophobicContact CB-CD1 4.47Å; H143-L146 HydrophobicContact CB-CD2 4.22Å; H143-L146 HydrophobicContact CB-CG 4.02Å; H143-L146 WeakPolarHBondContact ND1-CD2 3.27Å; H143-L146 WeakPolarHBondContact ND1-CG 3.39Å; H143-L146 PolarHBondContact ND1-N 3.09Å; H143-I164 WeakPolarHBondContact NE2-CG2 2.78Å; H143-D166 PolarHBondContact CE1-O 3.14Å; H143-D166 VanDerWaalsContact CE1-O 3.32Å; H143-D166 PolarHBondContact NE2-O 3.13Å; H143-D166 VanDerWaalsContact NE2-O 3.14Å; H143-F167 AromaticContact CD2-CD1 3.8Å; H143-F167 AromaticContact CD2-CE1 3.54Å; H143-F167 AromaticContact CD2-CZ 3.9Å; H143-L169 CarbonylContact O-C 3.36Å; H143-A170 WeakPolarHBondContact O-CA 3.31Å; H143-A170 PolarHBondContact O-N 3.37Å; H143-D202 WeakPolarHBondContact CB-OD1 3.33Å; H143-D202 PolarHBondContact N-OD1 2.96Å; H143-D202 PolarHBondContact N-OD2 3.3Å
144	R	96.6	Very high	95.3	Very high	30 Å²	30	27.9 Å²	27.9	11%	0.113	14%	0.139	C	C	.	.			trans	61.5	8.8	174.6	-47.5	-170.1	-61.6	148	7.1	116.4	V142 L169 C181 Y197 V201 D202	V142-R144 HydrophobicContact CB-CG 3.88Å; V142-R144 HydrophobicContact CG1-CG 3.51Å; R144-L169 PolarHBondContact NE-O 2.7Å; R144-L169 PolarHBondContact NH2-O 3.27Å; R144-C181 PolarHBondContact NH1-SG 3.5Å; R144-Y197 HydrophobicContact CG-CE2 4.29Å; R144-Y197 PolarHBondContact NH1-OH 3.16Å; R144-V201 HydrophobicContact CG-CG2 4.38Å; R144-D202 PolarHBondContact N-OD1 3.39Å
145	N	95.1	Very high	95	Very high	12 Å²	12	29.2 Å²	29.2	6%	0.064	14%	0.144	C	C	.	.			trans	-149.4	38.7	177.5	-158.8	37.2	0	0	0	112	H143 N150 D166 L169	H143-N145 PolarHBondContact CE1-O 3.37Å; H143-N145 VanDerWaalsContact ND1-C 3.29Å; H143-N145 PolarHBondContact ND1-N 3.13Å; H143-N145 PolarHBondContact ND1-O 3.26Å; H143-N145 PolarHBondContact O-N 3.02Å; N145-N150 PolarHBondContact ND2-ND2 3.28Å; N145-N150 PolarHBondContact O-ND2 2.92Å; N145-D166 PolarHBondContact ND2-OD2 3.42Å; N145-L169 HydrophobicContact CB-CB 4.14Å; N145-L169 HydrophobicContact CB-CD1 4Å; N145-L169 HydrophobicContact CB-CG 4.45Å
146	L	96.8	Very high	94.5	Very high	3 Å²	3	34 Å²	34	2%	0.016	16%	0.162	C	C	.	.			trans	-74.6	130.6	173.6	-68	173.5	0	0	0	109.3	V133 H143 I164 D202 A205 I206 I209	V133-L146 HydrophobicContact CG2-CD1 3.71Å; V133-L146 HydrophobicContact CG2-CD2 4.33Å; H143-L146 HydrophobicContact CB-CD1 4.47Å; H143-L146 HydrophobicContact CB-CD2 4.22Å; H143-L146 HydrophobicContact CB-CG 4.02Å; H143-L146 WeakPolarHBondContact ND1-CD2 3.27Å; H143-L146 WeakPolarHBondContact ND1-CG 3.39Å; H143-L146 PolarHBondContact ND1-N 3.09Å; L146-I164 HydrophobicContact CD2-CD1 4.06Å; L146-I164 HydrophobicContact CD2-CG2 4.2Å; L146-D202 HydrophobicContact CD1-CB 3.71Å; L146-A205 HydrophobicContact CB-CB 3.85Å; L146-I206 HydrophobicContact CD1-CD1 4.19Å; L146-I206 HydrophobicContact CD1-CG1 3.91Å; L146-I209 HydrophobicContact CB-CD1 4.19Å
147	K	92.9	Very high	94	Very high	30 Å²	30	39.8 Å²	39.8	13%	0.13	19%	0.192	C	C	.	.			trans	-167.7	165.9	179.8	59.5	-176.2	-166.8	155	0	110.1	E149 N150 T183 Y186	K147-E149 VanDerWaalsContact C-N 3.34Å; K147-E149 WeakPolarHBondContact CB-OE2 3.41Å; K147-E149 WeakPolarHBondContact CD-OE2 3.31Å; K147-E149 WeakPolarHBondContact CE-OE1 3.46Å; K147-E149 WeakPolarHBondContact CG-OE2 3.49Å; K147-E149 IonicContact NZ-OE1 2.83Å; K147-E149 PolarHBondContact NZ-OE1 3.26Å; K147-E149 PolarHBondContact O-N 3.41Å; K147-N150 HydrophobicContact CG-CB 4.02Å; K147-N150 PolarHBondContact O-N 3Å; K147-N150 VanDerWaalsContact O-N 3.11Å; K147-T183 HydrophobicContact CD-CG2 4.42Å; K147-T183 WeakPolarHBondContact CD-OG1 3.4Å; K147-T183 PolarHBondContact NZ-OG1 3.43Å; K147-Y186 HydrophobicContact CB-CD1 4.15Å; K147-Y186 HydrophobicContact CB-CD2 3.71Å; K147-Y186 HydrophobicContact CB-CE1 3.97Å; K147-Y186 HydrophobicContact CB-CE2 3.51Å; K147-Y186 HydrophobicContact CB-CG 4.02Å
148	L	90.2	Very high	92.9	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.063	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-60	-38.6	-175.4	-75.6	168.2	0	0	0	113.9	F108 N150 L151 I209 I212 L213	F108-L148 HydrophobicContact CD2-CD1 3.89Å; F108-L148 HydrophobicContact CE2-CD1 4.26Å; L148-N150 PolarHBondContact O-N 3.41Å; L148-N150 VanDerWaalsContact O-N 3.16Å; L148-L151 PolarHBondContact O-N 3.38Å; L148-L151 VanDerWaalsContact O-N 3.07Å; L148-I209 HydrophobicContact CD2-CG2 3.94Å; L148-I212 HydrophobicContact CD1-CB 4.12Å; L148-I212 HydrophobicContact CD1-CD1 4.29Å; L148-I212 HydrophobicContact CD1-CG2 3.56Å; L148-L213 HydrophobicContact CD2-CD1 4.34Å; L148-L213 HydrophobicContact CD2-CD2 3.75Å; L148-L213 HydrophobicContact CD2-CG 3.97Å
149	E	88.2	Confident	92.2	Very high	65 Å²	65	51.2 Å²	51.2	30%	0.304	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-68.2	-14.8	-179.2	-43	97.1	99.9	0	0	113.1	K147	K147-E149 VanDerWaalsContact C-N 3.34Å; K147-E149 WeakPolarHBondContact CB-OE2 3.41Å; K147-E149 WeakPolarHBondContact CD-OE2 3.31Å; K147-E149 WeakPolarHBondContact CE-OE1 3.46Å; K147-E149 WeakPolarHBondContact CG-OE2 3.49Å; K147-E149 IonicContact NZ-OE1 2.83Å; K147-E149 PolarHBondContact NZ-OE1 3.26Å; K147-E149 PolarHBondContact O-N 3.41Å
150	N	90.8	Very high	92	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.043	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-96.6	1.1	178.3	-74	1.4	0	0	0	112.3	N145 K147 L148 I164 S165	N145-N150 PolarHBondContact ND2-ND2 3.28Å; N145-N150 PolarHBondContact O-ND2 2.92Å; K147-N150 HydrophobicContact CG-CB 4.02Å; K147-N150 PolarHBondContact O-N 3Å; K147-N150 VanDerWaalsContact O-N 3.11Å; L148-N150 PolarHBondContact O-N 3.41Å; L148-N150 VanDerWaalsContact O-N 3.16Å; N150-I164 WeakPolarHBondContact O-CA 3.47Å; N150-S165 VanDerWaalsContact CB-O 3.23Å; N150-S165 WeakPolarHBondContact CB-O 3.36Å; N150-S165 PolarHBondContact O-N 3.45Å; N150-S165 PolarHBondContact O-OG 3.47Å
151	L	93.8	Very high	91.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115	177.1	-58.6	-176.3	0	0	0	110.7	E106 V107 V129 L148 I162 I164 I209	E106-L151 WeakPolarHBondContact CA-O 3.43Å; V107-L151 HydrophobicContact CB-CB 4.44Å; V107-L151 HydrophobicContact CG2-CB 3.83Å; V107-L151 PolarHBondContact N-O 3.13Å; V129-L151 HydrophobicContact CG1-CD2 4.39Å; V129-L151 HydrophobicContact CG2-CD1 3.8Å; V129-L151 HydrophobicContact CG2-CD2 3.79Å; V129-L151 HydrophobicContact CG2-CG 4.44Å; L148-L151 PolarHBondContact O-N 3.38Å; L148-L151 VanDerWaalsContact O-N 3.07Å; L151-I162 HydrophobicContact CB-CG2 4.32Å; L151-I162 HydrophobicContact CD2-CG2 4.42Å; L151-I164 HydrophobicContact CD2-CG1 3.87Å; L151-I209 HydrophobicContact CD1-CD1 4.24Å; L151-I209 HydrophobicContact CD1-CG2 4.07Å
152	V	91.7	Very high	91.9	Very high	22 Å²	22	46.9 Å²	46.9	13%	0.133	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.3	-173	-168.6	0	0	0	0	110.5	A102 R105 E106 Y154 V163	A102-V152 HydrophobicContact CB-CG1 3.99Å; R105-V152 WeakPolarHBondContact O-CG1 3.46Å; E106-V152 HydrophobicContact CG-CG2 4.47Å; V152-Y154 PolarHBondContact O-N 2.97Å; V152-V163 HydrophobicContact CB-CG2 4.41Å; V152-V163 PolarHBondContact N-O 3.16Å; V152-V163 VanDerWaalsContact O-CG2 3.3Å; V152-V163 WeakPolarHBondContact O-CG2 3.28Å; V152-V163 PolarHBondContact O-N 3.2Å
153	Y	93.3	Very high	91.9	Very high	15 Å²	15	46.9 Å²	46.9	6%	0.059	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.9	166.8	-78.2	-82.4	0	0	0	110.2	G104 R105 V107 W110 N155 S160 I162	G104-Y153 WeakPolarHBondContact CA-O 3.32Å; G104-Y153 PolarHBondContact N-O 3.02Å; R105-Y153 PolarHBondContact O-N 3.42Å; V107-Y153 HydrophobicContact CB-CE2 4.23Å; V107-Y153 HydrophobicContact CG1-CE2 4.3Å; V107-Y153 HydrophobicContact CG2-CD2 4.19Å; V107-Y153 HydrophobicContact CG2-CE2 3.98Å; W110-Y153 HydrophobicContact CB-CD2 3.63Å; W110-Y153 HydrophobicContact CB-CE2 3.52Å; W110-Y153 HydrophobicContact CD2-CD2 4.22Å; W110-Y153 AromaticContact CD2-CE2 3.54Å; W110-Y153 HydrophobicContact CD2-CE2 3.54Å; W110-Y153 AromaticContact CD2-CZ 3.72Å; W110-Y153 AromaticContact CE3-CE2 3.72Å; W110-Y153 HydrophobicContact CE3-CE2 3.72Å; W110-Y153 AromaticContact CE3-CZ 3.71Å; W110-Y153 VanDerWaalsContact CE3-OH 3.31Å; W110-Y153 AromaticContact CG-CD2 3.71Å; W110-Y153 HydrophobicContact CG-CD2 3.71Å; W110-Y153 AromaticContact CG-CE2 3.47Å; W110-Y153 HydrophobicContact CG-CE2 3.47Å; W110-Y153 VanDerWaalsContact CG-CE2 3.47Å; W110-Y153 WeakPolarHBondContact CZ3-OH 3.29Å; Y153-N155 VanDerWaalsContact C-N 3.26Å; Y153-N155 PolarHBondContact O-N 3.39Å; Y153-S160 WeakPolarHBondContact CD1-O 3.32Å; Y153-I162 HydrophobicContact CD1-CD1 3.45Å; Y153-I162 VanDerWaalsContact CD1-CD1 3.45Å; Y153-I162 HydrophobicContact CD2-CD1 4.02Å; Y153-I162 HydrophobicContact CE1-CD1 3.35Å; Y153-I162 HydrophobicContact CE2-CD1 3.9Å; Y153-I162 HydrophobicContact CG-CD1 3.81Å
154	Y	94.1	Very high	91.8	Very high	56 Å²	56	46.9 Å²	46.9	22%	0.22	21%	0.212	C	C	.	.	S	Bend	trans	-62.1	-31.7	-175.4	-175.9	-101.5	0	0	0	113.3	E100 A102 T103 V152 K161 V163	E100-Y154 HydrophobicContact CB-CE2 4.18Å; A102-Y154 CarbonylContact C-O 3.56Å; A102-Y154 WeakPolarHBondContact CA-O 3.32Å; T103-Y154 PolarHBondContact N-O 3.48Å; T103-Y154 PolarHBondContact OG1-O 3.19Å; V152-Y154 PolarHBondContact O-N 2.97Å; Y154-K161 WeakPolarHBondContact CB-O 3.23Å; Y154-K161 HydrophobicContact CG-CD 4.47Å; Y154-K161 VanDerWaalsContact CG-CE 3.41Å; Y154-K161 HydrophobicContact CG-CG 4.2Å; Y154-K161 PolarHBondContact N-O 3.49Å; Y154-V163 HydrophobicContact CD2-CG1 4.05Å; Y154-V163 HydrophobicContact CD2-CG2 4.38Å
155	N	92.4	Very high	91.5	Very high	42 Å²	42	46.7 Å²	46.7	23%	0.225	22%	0.215	C	C	.	.	S	Bend	trans	-150.5	-177.4	172.7	64.2	42.2	0	0	0	111	T103 Y153 L157 S160	T103-N155 WeakPolarHBondContact OG1-CA 3.13Å; T103-N155 WeakPolarHBondContact OG1-CB 3.37Å; Y153-N155 VanDerWaalsContact C-N 3.26Å; Y153-N155 PolarHBondContact O-N 3.39Å; N155-L157 VanDerWaalsContact OD1-CB 3.31Å; N155-L157 WeakPolarHBondContact OD1-CB 3.5Å; N155-L157 WeakPolarHBondContact OD1-CG 3.41Å; N155-L157 PolarHBondContact OD1-N 2.79Å; N155-L157 VanDerWaalsContact OD1-N 3.1Å; N155-S160 PolarHBondContact N-OG 3.46Å; N155-S160 VanDerWaalsContact O-CB 3.29Å; N155-S160 WeakPolarHBondContact O-CB 3.21Å; N155-S160 PolarHBondContact O-OG 3.26Å; N155-S160 WeakPolarHBondContact OD1-CB 3.49Å; N155-S160 PolarHBondContact OD1-OG 3.2Å
156	R	87.6	Confident	91.3	Very high	160 Å²	160	46.7 Å²	46.7	60%	0.604	22%	0.215	S	C	*	.	S	Bend	trans	-91.2	11.6	-175	-63.7	-177.7	177.1	-114.2	-9.8	114.8	T103 G104	T103-R156 WeakPolarHBondContact O-CG 3.27Å; T103-R156 PolarHBondContact O-NE 3.36Å; G104-R156 PolarHBondContact O-NH2 3.48Å
157	L	87.6	Confident	91.2	Very high	120 Å²	120	46.6 Å²	46.6	63%	0.628	22%	0.215	S	C	*	.	S	Bend	trans	-78.8	150.1	178.8	-56	176.7	0	0	0	110.6	N155 H159 S160	N155-L157 VanDerWaalsContact OD1-CB 3.31Å; N155-L157 WeakPolarHBondContact OD1-CB 3.5Å; N155-L157 WeakPolarHBondContact OD1-CG 3.41Å; N155-L157 PolarHBondContact OD1-N 2.79Å; N155-L157 VanDerWaalsContact OD1-N 3.1Å; L157-H159 PolarHBondContact O-N 3.23Å; L157-H159 VanDerWaalsContact O-N 3.11Å; L157-S160 WeakPolarHBondContact O-CB 3.36Å; L157-S160 PolarHBondContact O-N 2.9Å
158	K	76.6	Confident	91.2	Very high	165 Å²	165	46.5 Å²	46.5	72%	0.717	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-33.2	-175.3	-170.8	179.3	-179.1	-176.1	0	114.2
159	H	82.9	Confident	91.4	Very high	173 Å²	173	47.7 Å²	47.7	80%	0.801	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	39.6	-179.9	-56.8	-67.5	0	0	0	111.7	L157	L157-H159 PolarHBondContact O-N 3.23Å; L157-H159 VanDerWaalsContact O-N 3.11Å
160	S	92.2	Very high	91.8	Very high	10 Å²	10	44.6 Å²	44.6	7%	0.07	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-71.6	142.3	177.8	-154.6	0	0	0	0	111.7	Y153 N155 L157	Y153-S160 WeakPolarHBondContact CD1-O 3.32Å; N155-S160 PolarHBondContact N-OG 3.46Å; N155-S160 VanDerWaalsContact O-CB 3.29Å; N155-S160 WeakPolarHBondContact O-CB 3.21Å; N155-S160 PolarHBondContact O-OG 3.26Å; N155-S160 WeakPolarHBondContact OD1-CB 3.49Å; N155-S160 PolarHBondContact OD1-OG 3.2Å; L157-S160 WeakPolarHBondContact O-CB 3.36Å; L157-S160 PolarHBondContact O-N 2.9Å
161	K	95.1	Very high	91.9	Very high	59 Å²	59	47.2 Å²	47.2	26%	0.257	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-69.8	147.7	175.4	66	175.1	-172.6	163.2	0	111.2	P80 Q128 Y154 V163	P80-K161 WeakPolarHBondContact O-CD 3.34Å; P80-K161 WeakPolarHBondContact O-CE 3.41Å; P80-K161 PolarHBondContact O-NZ 3.47Å; Q128-K161 VanDerWaalsContact OE1-CA 3.27Å; Y154-K161 WeakPolarHBondContact CB-O 3.23Å; Y154-K161 HydrophobicContact CG-CD 4.47Å; Y154-K161 VanDerWaalsContact CG-CE 3.41Å; Y154-K161 HydrophobicContact CG-CG 4.2Å; Y154-K161 PolarHBondContact N-O 3.49Å; K161-V163 HydrophobicContact CD-CG1 4.39Å; K161-V163 HydrophobicContact CG-CG1 4.49Å
162	I	96.3	Very high	91.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	139.9	166	-56.7	-49.7	0	0	0	109.1	N81 V107 V125 Q128 V129 L151 Y153	N81-I162 VanDerWaalsContact CA-O 3.26Å; N81-I162 WeakPolarHBondContact CA-O 3.37Å; N81-I162 VanDerWaalsContact CB-O 3.3Å; N81-I162 WeakPolarHBondContact CB-O 3.46Å; N81-I162 PolarHBondContact ND2-O 2.94Å; V107-I162 HydrophobicContact CG2-CD1 3.55Å; V107-I162 HydrophobicContact CG2-CG1 4.4Å; V107-I162 HydrophobicContact CG2-CG2 4.39Å; V125-I162 HydrophobicContact CG1-CG1 4.28Å; V125-I162 HydrophobicContact CG2-CD1 4.29Å; V125-I162 HydrophobicContact CG2-CG1 4.29Å; Q128-I162 HydrophobicContact CB-CB 4.25Å; V129-I162 HydrophobicContact CG2-CG2 4.28Å; L151-I162 HydrophobicContact CB-CG2 4.32Å; L151-I162 HydrophobicContact CD2-CG2 4.42Å; Y153-I162 HydrophobicContact CD1-CD1 3.45Å; Y153-I162 VanDerWaalsContact CD1-CD1 3.45Å; Y153-I162 HydrophobicContact CD2-CD1 4.02Å; Y153-I162 HydrophobicContact CE1-CD1 3.35Å; Y153-I162 HydrophobicContact CE2-CD1 3.9Å; Y153-I162 HydrophobicContact CG-CD1 3.81Å
163	V	97.3	Very high	91.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.1	167.6	-71.7	0	0	0	0	110.1	N81 L83 A102 V152 Y154 K161	N81-V163 WeakPolarHBondContact O-CA 3.32Å; L83-V163 HydrophobicContact CB-CB 4.49Å; L83-V163 HydrophobicContact CD1-CB 4.47Å; L83-V163 HydrophobicContact CD1-CG2 3.99Å; A102-V163 HydrophobicContact CB-CG2 4.22Å; V152-V163 HydrophobicContact CB-CG2 4.41Å; V152-V163 PolarHBondContact N-O 3.16Å; V152-V163 VanDerWaalsContact O-CG2 3.3Å; V152-V163 WeakPolarHBondContact O-CG2 3.28Å; V152-V163 PolarHBondContact O-N 3.2Å; Y154-V163 HydrophobicContact CD2-CG1 4.05Å; Y154-V163 HydrophobicContact CD2-CG2 4.38Å; K161-V163 HydrophobicContact CD-CG1 4.39Å; K161-V163 HydrophobicContact CG-CG1 4.49Å
164	I	97.3	Very high	90.7	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.2	167.4	-54.3	178.2	0	0	0	107.7	N81 L83 V129 A132 V133 H143 L146 N150 L151 F167	N81-I164 PolarHBondContact O-N 2.89Å; L83-I164 WeakPolarHBondContact CB-O 3.35Å; L83-I164 PolarHBondContact N-O 3.26Å; V129-I164 HydrophobicContact CG1-CD1 4.36Å; A132-I164 HydrophobicContact CB-CD1 3.64Å; A132-I164 HydrophobicContact CB-CG1 4.4Å; V133-I164 HydrophobicContact CG2-CD1 4.08Å; H143-I164 WeakPolarHBondContact NE2-CG2 2.78Å; L146-I164 HydrophobicContact CD2-CD1 4.06Å; L146-I164 HydrophobicContact CD2-CG2 4.2Å; N150-I164 WeakPolarHBondContact O-CA 3.47Å; L151-I164 HydrophobicContact CD2-CG1 3.87Å; I164-F167 HydrophobicContact CB-CE2 4.45Å; I164-F167 HydrophobicContact CB-CZ 4.36Å; I164-F167 HydrophobicContact CG2-CE2 4.08Å; I164-F167 HydrophobicContact CG2-CZ 4.06Å
165	S	89.3	Confident	89.7	Confident	25 Å²	25	56.2 Å²	56.2	18%	0.175	28%	0.28	C	S	.	.			trans	-119.2	145.6	171.7	58.2	0	0	0	0	110	N150	N150-S165 VanDerWaalsContact CB-O 3.23Å; N150-S165 WeakPolarHBondContact CB-O 3.36Å; N150-S165 PolarHBondContact O-N 3.45Å; N150-S165 PolarHBondContact O-OG 3.47Å
166	D	90.8	Very high	88.6	Confident	12 Å²	12	59.8 Å²	59.8	6%	0.064	30%	0.298	C	S	.	.			trans	90	93.8	179.6	-169.5	44.9	0	0	0	117.3	K53 H143 N145 H168	K53-D166 IonicContact NZ-OD1 3.8Å; K53-D166 PolarHBondContact NZ-OD1 3.16Å; H143-D166 PolarHBondContact CE1-O 3.14Å; H143-D166 VanDerWaalsContact CE1-O 3.32Å; H143-D166 PolarHBondContact NE2-O 3.13Å; H143-D166 VanDerWaalsContact NE2-O 3.14Å; N145-D166 PolarHBondContact ND2-OD2 3.42Å; D166-H168 IonicContact OD1-CE1 3.46Å; D166-H168 IonicContact OD1-CG 3.25Å; D166-H168 IonicContact OD1-ND1 2.93Å; D166-H168 PolarHBondContact OD1-ND1 3.21Å; D166-H168 IonicContact OD2-CE1 2.83Å; D166-H168 PolarHBondContact OD2-CE1 3.22Å; D166-H168 IonicContact OD2-ND1 2.73Å; D166-H168 PolarHBondContact OD2-ND1 3.03Å
167	F	95.5	Very high	88.5	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.009	27%	0.27	C	S	.	.			trans	-109.5	12.4	-178.3	-74.3	-100.6	0	0	0	113.7	E70 I73 L74 I82 L136 H143 I164 L169 A170	E70-F167 HydrophobicContact CG-CB 4.18Å; E70-F167 PolarHBondContact OE1-N 2.99Å; E70-F167 VanDerWaalsContact OE1-N 3.12Å; I73-F167 HydrophobicContact CG2-CB 4.18Å; I73-F167 HydrophobicContact CG2-CD1 3.66Å; I73-F167 HydrophobicContact CG2-CG 4.27Å; L74-F167 HydrophobicContact CD2-CB 4.26Å; L74-F167 HydrophobicContact CD2-CD2 3.59Å; L74-F167 HydrophobicContact CD2-CE2 4.11Å; L74-F167 HydrophobicContact CD2-CG 3.9Å; L74-F167 HydrophobicContact CG-CB 4.26Å; L74-F167 HydrophobicContact CG-CD2 4.44Å; L74-F167 HydrophobicContact CG-CG 4.44Å; I82-F167 HydrophobicContact CB-CZ 4.39Å; I82-F167 HydrophobicContact CD1-CZ 4.12Å; I82-F167 HydrophobicContact CG1-CZ 4.06Å; I82-F167 HydrophobicContact CG2-CE2 3.71Å; I82-F167 HydrophobicContact CG2-CZ 3.58Å; L136-F167 HydrophobicContact CD1-CE1 3.8Å; L136-F167 HydrophobicContact CD1-CZ 4.34Å; L136-F167 HydrophobicContact CD2-CE1 3.87Å; L136-F167 HydrophobicContact CG-CE1 4.48Å; H143-F167 AromaticContact CD2-CD1 3.8Å; H143-F167 AromaticContact CD2-CE1 3.54Å; H143-F167 AromaticContact CD2-CZ 3.9Å; I164-F167 HydrophobicContact CB-CE2 4.45Å; I164-F167 HydrophobicContact CB-CZ 4.36Å; I164-F167 HydrophobicContact CG2-CE2 4.08Å; I164-F167 HydrophobicContact CG2-CZ 4.06Å; F167-L169 PolarHBondContact O-N 2.97Å; F167-A170 HydrophobicContact CB-CB 4.21Å; F167-A170 HydrophobicContact CD1-CB 3.96Å; F167-A170 WeakPolarHBondContact O-CB 3.34Å; F167-A170 PolarHBondContact O-N 3.23Å
168	H	93.6	Very high	88.3	Confident	27 Å²	27	52.5 Å²	52.5	13%	0.125	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-24.1	-173	81	-88.2	0	0	0	114.2	F35 A66 N69 E70 D166	F35-H168 AromaticContact CD2-CD2 3.62Å; F35-H168 AromaticContact CD2-NE2 3.65Å; F35-H168 AromaticContact CE2-CD2 3.59Å; F35-H168 AromaticContact CE2-NE2 3.39Å; F35-H168 WeakPolarHBondContact CE2-NE2 3.27Å; A66-H168 HydrophobicContact CB-CB 4.1Å; N69-H168 PolarHBondContact ND2-O 2.9Å; E70-H168 HydrophobicContact CB-CB 4.21Å; D166-H168 IonicContact OD1-CE1 3.46Å; D166-H168 IonicContact OD1-CG 3.25Å; D166-H168 IonicContact OD1-ND1 2.93Å; D166-H168 PolarHBondContact OD1-ND1 3.21Å; D166-H168 IonicContact OD2-CE1 2.83Å; D166-H168 PolarHBondContact OD2-CE1 3.22Å; D166-H168 IonicContact OD2-ND1 2.73Å; D166-H168 PolarHBondContact OD2-ND1 3.03Å
169	L	93.4	Very high	88.8	Confident	38 Å²	38	48.6 Å²	48.6	20%	0.199	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-6.4	171.3	-62.3	-174.7	0	0	0	114.3	H143 R144 N145 F167 C181	H143-L169 CarbonylContact O-C 3.36Å; R144-L169 PolarHBondContact NE-O 2.7Å; R144-L169 PolarHBondContact NH2-O 3.27Å; N145-L169 HydrophobicContact CB-CB 4.14Å; N145-L169 HydrophobicContact CB-CD1 4Å; N145-L169 HydrophobicContact CB-CG 4.45Å; F167-L169 PolarHBondContact O-N 2.97Å; L169-C181 HydrophobicContact CD1-CB 4.09Å; L169-C181 HydrophobicContact CD2-CB 4.37Å
170	A	96	Very high	89.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.			trans	-62.2	150.5	-179.9	0	0	0	0	0	111.3	N69 I73 I141 V142 H143 F167	N69-A170 PolarHBondContact ND2-O 3.5Å; I73-A170 HydrophobicContact CG1-CB 4.12Å; I73-A170 HydrophobicContact CG2-CB 4.01Å; I141-A170 HydrophobicContact CG2-CB 4.24Å; V142-A170 CarbonylContact O-C 3.55Å; V142-A170 WeakPolarHBondContact O-CA 3.43Å; H143-A170 WeakPolarHBondContact O-CA 3.31Å; H143-A170 PolarHBondContact O-N 3.37Å; F167-A170 HydrophobicContact CB-CB 4.21Å; F167-A170 HydrophobicContact CD1-CB 3.96Å; F167-A170 WeakPolarHBondContact O-CB 3.34Å; F167-A170 PolarHBondContact O-N 3.23Å
171	K	94.4	Very high	89.1	Confident	63 Å²	63	44.8 Å²	44.8	27%	0.274	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	139.5	-174.6	-169.3	173.4	-179.2	-175.8	0	111.2	V142 I177 D179	V142-K171 PolarHBondContact N-O 3.02Å; V142-K171 PolarHBondContact O-N 3.42Å; K171-I177 HydrophobicContact CB-CD1 4.49Å; K171-I177 HydrophobicContact CD-CD1 4.17Å; K171-I177 HydrophobicContact CD-CG1 4.31Å; K171-I177 HydrophobicContact CD-CG2 4.17Å; K171-D179 IonicContact NZ-OD2 3.65Å; K171-D179 PolarHBondContact NZ-OD2 3.49Å
172	L	92.4	Very high	88.8	Confident	56 Å²	56	43.2 Å²	43.2	29%	0.293	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.4	170.1	-159.1	70.3	0	0	0	109.6	M76 L139 H140 I141 N174	M76-L172 HydrophobicContact CE-CD1 3.91Å; M76-L172 HydrophobicContact CE-CD2 4.38Å; L139-L172 WeakPolarHBondContact O-CD1 3.33Å; H140-L172 HydrophobicContact CB-CD1 4.41Å; H140-L172 CarbonylContact O-C 3.55Å; H140-L172 WeakPolarHBondContact O-CA 3.34Å; I141-L172 HydrophobicContact CG1-CD1 3.71Å; L172-N174 VanDerWaalsContact CD2-OD1 3.26Å; L172-N174 WeakPolarHBondContact CD2-OD1 3.36Å; L172-N174 VanDerWaalsContact CG-OD1 3.31Å; L172-N174 WeakPolarHBondContact CG-OD1 3.42Å; L172-N174 PolarHBondContact O-N 2.92Å
173	E	84.3	Confident	88.5	Confident	39 Å²	39	44.5 Å²	44.5	18%	0.182	25%	0.252	C	S	.	.			trans	-76.4	58.5	-177.1	-165.9	-178.3	-111.9	0	0	111.3	H140 V142 G175 G198 R199	H140-E173 HydrophobicContact CB-CB 4.29Å; H140-E173 WeakPolarHBondContact O-CB 3.45Å; H140-E173 PolarHBondContact O-N 2.91Å; V142-E173 HydrophobicContact CG2-CB 4.23Å; E173-G175 PolarHBondContact O-N 2.78Å; E173-G198 WeakPolarHBondContact OE1-CA 3.43Å; E173-R199 PolarHBondContact OE1-N 3.38Å; E173-R199 IonicContact OE1-NE 2.63Å; E173-R199 IonicContact OE2-CZ 3.89Å; E173-R199 VanDerWaalsContact OE2-CZ 3.25Å; E173-R199 IonicContact OE2-NE 2.86Å; E173-R199 PolarHBondContact OE2-NE 2.89Å; E173-R199 IonicContact OE2-NH2 3.73Å; E173-R199 PolarHBondContact OE2-NH2 2.99Å
174	N	76.1	Confident	88.2	Confident	141 Å²	141	46.7 Å²	46.7	75%	0.754	27%	0.266	S	S	*	.	S	Bend	trans	-79	42.2	174.8	-69	9.2	0	0	0	111.5	L172	L172-N174 VanDerWaalsContact CD2-OD1 3.26Å; L172-N174 WeakPolarHBondContact CD2-OD1 3.36Å; L172-N174 VanDerWaalsContact CG-OD1 3.31Å; L172-N174 WeakPolarHBondContact CG-OD1 3.42Å; L172-N174 PolarHBondContact O-N 2.92Å
175	G	73.2	Confident	87.9	Confident	47 Å²	47	51 Å²	51	49%	0.485	29%	0.286	S	S	.	.	S	Bend	trans	110.1	176.7	-171.1	0	0	0	0	0	114.2	E173 I177	E173-G175 PolarHBondContact O-N 2.78Å; G175-I177 PolarHBondContact O-N 2.8Å
176	L	69.1	Low	88.2	Confident	117 Å²	117	51.2 Å²	51.2	61%	0.613	28%	0.283	S	S	*	.			trans	-65.5	120.2	-164.1	-66.2	158.4	0	0	0	113.3	R196	L176-R196 HydrophobicContact CB-CB 4.18Å; L176-R196 HydrophobicContact CB-CG 4.27Å; L176-R196 HydrophobicContact CD2-CB 4.17Å
177	I	85.4	Confident	88.4	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-79.3	143.7	-178.3	-49.6	175	0	0	0	109.7	V142 K171 G175 R196 Y197	V142-I177 HydrophobicContact CB-CD1 4.49Å; V142-I177 HydrophobicContact CG2-CD1 4.12Å; K171-I177 HydrophobicContact CB-CD1 4.49Å; K171-I177 HydrophobicContact CD-CD1 4.17Å; K171-I177 HydrophobicContact CD-CG1 4.31Å; K171-I177 HydrophobicContact CD-CG2 4.17Å; G175-I177 PolarHBondContact O-N 2.8Å; I177-R196 WeakPolarHBondContact O-CA 3.4Å; I177-Y197 HydrophobicContact CB-CD1 4.47Å; I177-Y197 HydrophobicContact CB-CD2 4.14Å; I177-Y197 HydrophobicContact CB-CE1 4.21Å; I177-Y197 HydrophobicContact CB-CE2 3.86Å; I177-Y197 HydrophobicContact CB-CG 4.45Å; I177-Y197 WeakPolarHBondContact CB-O 3.37Å; I177-Y197 HydrophobicContact CD1-CD2 4.49Å; I177-Y197 HydrophobicContact CD1-CE2 4.11Å; I177-Y197 HydrophobicContact CG2-CD2 4.45Å; I177-Y197 HydrophobicContact CG2-CE1 3.84Å; I177-Y197 HydrophobicContact CG2-CE2 3.7Å; I177-Y197 VanDerWaalsContact CG2-OH 3.3Å; I177-Y197 WeakPolarHBondContact CG2-OH 3.47Å; I177-Y197 PolarHBondContact N-O 3.05Å; I177-Y197 PolarHBondContact O-N 2.9Å
178	K	83.9	Confident	88.5	Confident	124 Å²	124	51.7 Å²	51.7	54%	0.539	29%	0.286	S	S	.	.			trans	-130.7	-16.6	178.5	-67.4	-169	176.9	-169.3	0	115.1	P180 R196	K178-P180 VanDerWaalsContact O-CD 3.23Å; K178-P180 WeakPolarHBondContact O-CD 3.44Å; K178-R196 VanDerWaalsContact CE-NH1 3.34Å; K178-R196 HydrophobicContact CG-CG 4.35Å
179	D	87.4	Confident	88.7	Confident	83 Å²	83	50.6 Å²	50.6	44%	0.444	28%	0.281	S	S	.	.			trans	-73.5	114.3	-175.5	-47.1	-70.1	0	0	0	108.9	K171 C181 Y197	K171-D179 IonicContact NZ-OD2 3.65Å; K171-D179 PolarHBondContact NZ-OD2 3.49Å; D179-C181 PolarHBondContact O-N 2.87Å; D179-Y197 PolarHBondContact O-OH 3.03Å
180	P	88.4	Confident	88.9	Confident	75 Å²	75	49 Å²	49	49%	0.487	27%	0.273	S	S	.	.			trans	-70.2	129.2	175	29.2	-33.6	0	0	0	109.7	K178 V191	K178-P180 VanDerWaalsContact O-CD 3.23Å; K178-P180 WeakPolarHBondContact O-CD 3.44Å; P180-V191 HydrophobicContact CB-CG1 4.35Å
181	C	91.3	Very high	88.9	Confident	29 Å²	29	49.3 Å²	49.3	20%	0.196	28%	0.275	C	S	.	.			trans	-160.9	159.9	177	65	0	0	0	0	110.8	R144 L169 D179 L187	R144-C181 PolarHBondContact NH1-SG 3.5Å; L169-C181 HydrophobicContact CD1-CB 4.09Å; L169-C181 HydrophobicContact CD2-CB 4.37Å; D179-C181 PolarHBondContact O-N 2.87Å; C181-L187 WeakPolarHBondContact O-CD2 3.45Å
182	G	90.3	Very high	88.9	Confident	25 Å²	25	47.5 Å²	47.5	26%	0.258	27%	0.269	S	S	.	.	S	Bend	trans	122.4	173.4	-176.5	0	0	0	0	0	111.1
183	T	89.2	Confident	89	Confident	29 Å²	29	46.5 Å²	46.5	18%	0.178	27%	0.272	C	S	.	.			trans	-76.9	125.6	171.5	-69.9	0	0	0	0	109.6	K147 E185 Y186	K147-T183 HydrophobicContact CD-CG2 4.42Å; K147-T183 WeakPolarHBondContact CD-OG1 3.4Å; K147-T183 PolarHBondContact NZ-OG1 3.43Å; T183-E185 VanDerWaalsContact C-N 3.27Å; T183-E185 WeakPolarHBondContact CG2-OE2 3.33Å; T183-E185 PolarHBondContact O-N 3.38Å; T183-E185 VanDerWaalsContact O-N 3.12Å; T183-Y186 HydrophobicContact CG2-CD2 3.76Å; T183-Y186 HydrophobicContact CG2-CE2 4.06Å; T183-Y186 PolarHBondContact O-N 2.82Å
184	P	90.8	Very high	89.4	Confident	45 Å²	45	54.2 Å²	54.2	29%	0.292	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-45.9	-43.8	-172	-33.3	37.1	0	0	0	115.6	Y186 L187 L236 F237	P184-Y186 PolarHBondContact O-N 2.94Å; P184-Y186 VanDerWaalsContact O-N 3.16Å; P184-L187 PolarHBondContact O-N 3.48Å; P184-L236 HydrophobicContact CB-CD2 4.15Å; P184-F237 HydrophobicContact CB-CE1 4.02Å; P184-F237 HydrophobicContact CB-CZ 4.25Å
185	E	91.1	Very high	90.2	Very high	93 Å²	93	52.6 Å²	52.6	44%	0.435	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-65.9	-15.5	-175.1	-57.7	94	135.3	0	0	113.8	T183 L236	T183-E185 VanDerWaalsContact C-N 3.27Å; T183-E185 WeakPolarHBondContact CG2-OE2 3.33Å; T183-E185 PolarHBondContact O-N 3.38Å; T183-E185 VanDerWaalsContact O-N 3.12Å; E185-L236 HydrophobicContact CG-CD2 4.26Å
186	Y	95.4	Very high	91.1	Very high	28 Å²	28	56.1 Å²	56.1	11%	0.11	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-115.5	6	-179.7	-57.6	-93.7	0	0	0	112.8	K147 T183 P184 V208 I209 I212	K147-Y186 HydrophobicContact CB-CD1 4.15Å; K147-Y186 HydrophobicContact CB-CD2 3.71Å; K147-Y186 HydrophobicContact CB-CE1 3.97Å; K147-Y186 HydrophobicContact CB-CE2 3.51Å; K147-Y186 HydrophobicContact CB-CG 4.02Å; T183-Y186 HydrophobicContact CG2-CD2 3.76Å; T183-Y186 HydrophobicContact CG2-CE2 4.06Å; T183-Y186 PolarHBondContact O-N 2.82Å; P184-Y186 PolarHBondContact O-N 2.94Å; P184-Y186 VanDerWaalsContact O-N 3.16Å; Y186-V208 HydrophobicContact CD1-CB 4.07Å; Y186-V208 HydrophobicContact CD1-CG1 3.55Å; Y186-V208 HydrophobicContact CE1-CG1 3.88Å; Y186-V208 HydrophobicContact CG-CG1 4.31Å; Y186-I209 HydrophobicContact CD1-CG1 4.11Å; Y186-I209 HydrophobicContact CE1-CG1 3.79Å; Y186-I212 HydrophobicContact CE1-CD1 3.91Å
187	L	96.2	Very high	92.3	Very high	23 Å²	23	50.8 Å²	50.8	12%	0.12	26%	0.258	C	S	.	.			trans	-72	138.5	-179.3	-64	-177.2	0	0	0	111.4	C181 P184 V191 V192 W204 F237 I240	C181-L187 WeakPolarHBondContact O-CD2 3.45Å; P184-L187 PolarHBondContact O-N 3.48Å; L187-V191 HydrophobicContact CD2-CG1 4.15Å; L187-V192 HydrophobicContact CB-CG2 3.69Å; L187-V192 HydrophobicContact CD1-CG2 4.17Å; L187-W204 PolarHBondContact O-NE1 3.38Å; L187-F237 HydrophobicContact CD1-CE1 4.35Å; L187-I240 WeakPolarHBondContact O-CG2 3.28Å
188	A	97.5	Very high	92.8	Very high	1 Å²	1	51 Å²	51	1%	0.008	26%	0.261	C	S	.	.			trans	-77.3	155.4	173.2	0	0	0	0	0	112	E190 V191 V192 V201 W204	A188-E190 VanDerWaalsContact C-N 3.27Å; A188-E190 HydrophobicContact CB-CG 4.5Å; A188-E190 WeakPolarHBondContact CB-OE2 3.08Å; A188-E190 PolarHBondContact O-N 3.39Å; A188-V191 HydrophobicContact CB-CG2 4.32Å; A188-V191 WeakPolarHBondContact O-CB 3.43Å; A188-V191 PolarHBondContact O-N 3.03Å; A188-V192 PolarHBondContact O-N 2.88Å; A188-V192 VanDerWaalsContact O-N 3.1Å; A188-V201 HydrophobicContact CB-CB 4.12Å; A188-V201 HydrophobicContact CB-CG1 4.08Å; A188-W204 VanDerWaalsContact CA-CD1 3.47Å; A188-W204 HydrophobicContact CB-CB 3.78Å; A188-W204 HydrophobicContact CB-CD2 4.17Å; A188-W204 HydrophobicContact CB-CG 3.65Å
189	P	97.8	Very high	93.4	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.032	25%	0.252	C	S	.	.	H	α-helix	trans	-56	-39.7	-176.7	-25.3	35.4	0	0	0	112.9	V191 V192 G193 W204 I240 V269	P189-V191 VanDerWaalsContact C-N 3.27Å; P189-V191 PolarHBondContact O-N 3.01Å; P189-V192 PolarHBondContact O-N 3.32Å; P189-G193 PolarHBondContact O-N 2.96Å; P189-W204 HydrophobicContact CG-CE3 4.08Å; P189-W204 HydrophobicContact CG-CH2 3.39Å; P189-W204 HydrophobicContact CG-CZ2 3.84Å; P189-W204 HydrophobicContact CG-CZ3 3.51Å; P189-I240 HydrophobicContact CG-CG2 4.24Å; P189-I240 WeakPolarHBondContact CG-O 3.4Å; P189-V269 HydrophobicContact CB-CG1 4.11Å; P189-V269 HydrophobicContact CG-CG1 4.13Å
190	E	96.9	Very high	93.9	Very high	3 Å²	3	47 Å²	47	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-28.2	177.5	66.8	-87.1	-159.2	0	0	113	A188 R194 Q195 Y197 V201 R274	A188-E190 VanDerWaalsContact C-N 3.27Å; A188-E190 HydrophobicContact CB-CG 4.5Å; A188-E190 WeakPolarHBondContact CB-OE2 3.08Å; A188-E190 PolarHBondContact O-N 3.39Å; E190-R194 PolarHBondContact O-N 3.5Å; E190-Q195 HydrophobicContact CB-CB 4.08Å; E190-Q195 WeakPolarHBondContact O-CA 3.44Å; E190-Q195 WeakPolarHBondContact O-CB 3.26Å; E190-Q195 PolarHBondContact O-N 3.04Å; E190-Y197 VanDerWaalsContact CG-CB 3.5Å; E190-V201 HydrophobicContact CG-CG1 4.11Å; E190-V201 VanDerWaalsContact OE1-CG1 3.26Å; E190-V201 WeakPolarHBondContact OE1-CG1 3.46Å; E190-R274 IonicContact OE1-CZ 3.24Å; E190-R274 IonicContact OE1-NH1 2.94Å; E190-R274 PolarHBondContact OE1-NH1 2.92Å; E190-R274 IonicContact OE1-NH2 3.73Å; E190-R274 IonicContact OE2-CZ 2.79Å; E190-R274 IonicContact OE2-NH1 2.93Å; E190-R274 PolarHBondContact OE2-NH1 3.4Å; E190-R274 IonicContact OE2-NH2 3.79Å; E190-R274 PolarHBondContact OE2-NH2 3.42Å
191	V	95.9	Very high	94.3	Very high	7 Å²	7	44 Å²	44	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-78.6	-44.9	176	-172.3	0	0	0	0	110.7	P180 L187 A188 P189 R194 Y197 V201	P180-V191 HydrophobicContact CB-CG1 4.35Å; L187-V191 HydrophobicContact CD2-CG1 4.15Å; A188-V191 HydrophobicContact CB-CG2 4.32Å; A188-V191 WeakPolarHBondContact O-CB 3.43Å; A188-V191 PolarHBondContact O-N 3.03Å; P189-V191 VanDerWaalsContact C-N 3.27Å; P189-V191 PolarHBondContact O-N 3.01Å; V191-R194 PolarHBondContact O-N 2.86Å; V191-R194 VanDerWaalsContact O-N 3.17Å; V191-Y197 HydrophobicContact CG1-CE1 4.27Å; V191-Y197 HydrophobicContact CG2-CD1 3.92Å; V191-Y197 HydrophobicContact CG2-CD2 4.21Å; V191-Y197 HydrophobicContact CG2-CE1 4.14Å; V191-Y197 HydrophobicContact CG2-CE2 4.42Å; V191-Y197 HydrophobicContact CG2-CG 3.94Å; V191-V201 HydrophobicContact CG2-CB 4.28Å; V191-V201 HydrophobicContact CG2-CG1 3.54Å
192	V	94.9	Very high	94.7	Very high	25 Å²	25	42.7 Å²	42.7	15%	0.152	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-44.6	176.7	177.2	0	0	0	0	110.7	L187 A188 P189 R194 F237 I240 L241	L187-V192 HydrophobicContact CB-CG2 3.69Å; L187-V192 HydrophobicContact CD1-CG2 4.17Å; A188-V192 PolarHBondContact O-N 2.88Å; A188-V192 VanDerWaalsContact O-N 3.1Å; P189-V192 PolarHBondContact O-N 3.32Å; V192-R194 PolarHBondContact O-N 2.84Å; V192-R194 VanDerWaalsContact O-N 3.14Å; V192-F237 HydrophobicContact CG1-CB 3.57Å; V192-F237 HydrophobicContact CG1-CD1 3.77Å; V192-F237 HydrophobicContact CG1-CG 3.7Å; V192-F237 HydrophobicContact CG2-CD1 3.93Å; V192-F237 HydrophobicContact CG2-CE1 4.36Å; V192-I240 HydrophobicContact CB-CG2 4.35Å; V192-I240 HydrophobicContact CG2-CB 4.44Å; V192-I240 HydrophobicContact CG2-CD1 4.41Å; V192-I240 HydrophobicContact CG2-CG2 3.75Å; V192-L241 HydrophobicContact CB-CD2 4.23Å; V192-L241 HydrophobicContact CB-CG 4.35Å; V192-L241 HydrophobicContact CG1-CD1 4.04Å; V192-L241 HydrophobicContact CG1-CD2 4.11Å; V192-L241 HydrophobicContact CG1-CG 3.79Å
193	G	93.9	Very high	95.1	Very high	36 Å²	36	41.5 Å²	41.5	37%	0.371	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	2.7	176.6	0	0	0	0	0	114.6	P189 Q195	P189-G193 PolarHBondContact O-N 2.96Å; G193-Q195 PolarHBondContact O-N 2.87Å; G193-Q195 VanDerWaalsContact O-N 3.11Å
194	R	93.1	Very high	95.5	Very high	200 Å²	200	40.1 Å²	40.1	76%	0.755	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	27.1	-178.7	-55.7	175.1	176.6	-108.1	-1.5	113.4	E190 V191 V192	E190-R194 PolarHBondContact O-N 3.5Å; V191-R194 PolarHBondContact O-N 2.86Å; V191-R194 VanDerWaalsContact O-N 3.17Å; V192-R194 PolarHBondContact O-N 2.84Å; V192-R194 VanDerWaalsContact O-N 3.14Å
195	Q	92.9	Very high	95.9	Very high	108 Å²	108	38.2 Å²	38.2	51%	0.505	18%	0.178	S	C	.	.			trans	-73.8	178.7	174.8	-50.7	-170.7	25.9	0	0	109.9	E190 G193	E190-Q195 HydrophobicContact CB-CB 4.08Å; E190-Q195 WeakPolarHBondContact O-CA 3.44Å; E190-Q195 WeakPolarHBondContact O-CB 3.26Å; E190-Q195 PolarHBondContact O-N 3.04Å; G193-Q195 PolarHBondContact O-N 2.87Å; G193-Q195 VanDerWaalsContact O-N 3.11Å
196	R	91.6	Very high	96.3	Very high	120 Å²	120	33.8 Å²	33.8	45%	0.453	16%	0.158	S	C	.	.			trans	-83.8	135.8	170.9	-66.7	176.7	178.7	-97.5	18.4	108.5	L176 I177 K178 Q271	L176-R196 HydrophobicContact CB-CB 4.18Å; L176-R196 HydrophobicContact CB-CG 4.27Å; L176-R196 HydrophobicContact CD2-CB 4.17Å; I177-R196 WeakPolarHBondContact O-CA 3.4Å; K178-R196 VanDerWaalsContact CE-NH1 3.34Å; K178-R196 HydrophobicContact CG-CG 4.35Å; R196-Q271 PolarHBondContact O-NE2 3.32Å
197	Y	94.4	Very high	96.4	Very high	6 Å²	6	32.5 Å²	32.5	2%	0.024	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-138.6	164.1	-175.2	71.8	-98	0	0	0	111.9	R144 I177 D179 E190 V191 V201	R144-Y197 HydrophobicContact CG-CE2 4.29Å; R144-Y197 PolarHBondContact NH1-OH 3.16Å; I177-Y197 HydrophobicContact CB-CD1 4.47Å; I177-Y197 HydrophobicContact CB-CD2 4.14Å; I177-Y197 HydrophobicContact CB-CE1 4.21Å; I177-Y197 HydrophobicContact CB-CE2 3.86Å; I177-Y197 HydrophobicContact CB-CG 4.45Å; I177-Y197 WeakPolarHBondContact CB-O 3.37Å; I177-Y197 HydrophobicContact CD1-CD2 4.49Å; I177-Y197 HydrophobicContact CD1-CE2 4.11Å; I177-Y197 HydrophobicContact CG2-CD2 4.45Å; I177-Y197 HydrophobicContact CG2-CE1 3.84Å; I177-Y197 HydrophobicContact CG2-CE2 3.7Å; I177-Y197 VanDerWaalsContact CG2-OH 3.3Å; I177-Y197 WeakPolarHBondContact CG2-OH 3.47Å; I177-Y197 PolarHBondContact N-O 3.05Å; I177-Y197 PolarHBondContact O-N 2.9Å; D179-Y197 PolarHBondContact O-OH 3.03Å; E190-Y197 VanDerWaalsContact CG-CB 3.5Å; V191-Y197 HydrophobicContact CG1-CE1 4.27Å; V191-Y197 HydrophobicContact CG2-CD1 3.92Å; V191-Y197 HydrophobicContact CG2-CD2 4.21Å; V191-Y197 HydrophobicContact CG2-CE1 4.14Å; V191-Y197 HydrophobicContact CG2-CE2 4.42Å; V191-Y197 HydrophobicContact CG2-CG 3.94Å; Y197-V201 HydrophobicContact CD2-CB 4.49Å; Y197-V201 HydrophobicContact CD2-CG1 3.48Å; Y197-V201 VanDerWaalsContact CD2-CG1 3.48Å; Y197-V201 HydrophobicContact CD2-CG2 4.2Å; Y197-V201 HydrophobicContact CE2-CG1 4.29Å; Y197-V201 HydrophobicContact CE2-CG2 4.42Å; Y197-V201 HydrophobicContact CG-CG1 3.87Å
198	G	95.3	Very high	96.5	Very high	6 Å²	6	31.4 Å²	31.4	6%	0.062	15%	0.147	C	C	.	.			trans	-147.9	-145.9	179.5	0	0	0	0	0	111.8	E173 V201	E173-G198 WeakPolarHBondContact OE1-CA 3.43Å; G198-V201 WeakPolarHBondContact O-CG2 3.46Å; G198-V201 PolarHBondContact O-N 3.34Å
199	R	96.9	Very high	96.5	Very high	92 Å²	92	31.5 Å²	31.5	35%	0.347	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.8	-38.3	177.1	-77.7	173	-81.5	138.8	3.2	116.9	H137 V142 E173 V201 D202	H137-R199 HydrophobicContact CB-CG 4.1Å; H137-R199 PolarHBondContact CE1-O 3.41Å; H137-R199 PolarHBondContact NE2-O 3.11Å; V142-R199 HydrophobicContact CG2-CG 3.94Å; E173-R199 PolarHBondContact OE1-N 3.38Å; E173-R199 IonicContact OE1-NE 2.63Å; E173-R199 IonicContact OE2-CZ 3.89Å; E173-R199 VanDerWaalsContact OE2-CZ 3.25Å; E173-R199 IonicContact OE2-NE 2.86Å; E173-R199 PolarHBondContact OE2-NE 2.89Å; E173-R199 IonicContact OE2-NH2 3.73Å; E173-R199 PolarHBondContact OE2-NH2 2.99Å; R199-V201 PolarHBondContact O-N 2.94Å; R199-D202 PolarHBondContact O-N 2.83Å; R199-D202 VanDerWaalsContact O-N 3.15Å
200	P	97.4	Very high	96.4	Very high	32 Å²	32	31.3 Å²	31.3	21%	0.208	15%	0.146	C	C	.	.	H	α-helix	trans	-58.6	-20.7	-177.3	-28.9	37.2	0	0	0	116.1	D202 C203 W204 Q271 R274	P200-D202 PolarHBondContact O-N 3.16Å; P200-C203 PolarHBondContact O-N 2.86Å; P200-C203 VanDerWaalsContact O-N 3.14Å; P200-W204 PolarHBondContact O-N 2.81Å; P200-Q271 HydrophobicContact CB-CB 4.03Å; P200-Q271 HydrophobicContact CG-CB 4.39Å; P200-Q271 WeakPolarHBondContact CG-O 3.38Å; P200-R274 VanDerWaalsContact C-NH1 3.32Å; P200-R274 WeakPolarHBondContact O-CD 3.31Å; P200-R274 PolarHBondContact O-NH1 3.24Å
201	V	97.9	Very high	96.5	Very high	10 Å²	10	31.3 Å²	31.3	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-31.4	177.4	-55	0	0	0	0	112.7	V142 R144 A188 E190 V191 Y197 G198 R199 C203 A205	V142-V201 HydrophobicContact CG1-CG2 3.62Å; R144-V201 HydrophobicContact CG-CG2 4.38Å; A188-V201 HydrophobicContact CB-CB 4.12Å; A188-V201 HydrophobicContact CB-CG1 4.08Å; E190-V201 HydrophobicContact CG-CG1 4.11Å; E190-V201 VanDerWaalsContact OE1-CG1 3.26Å; E190-V201 WeakPolarHBondContact OE1-CG1 3.46Å; V191-V201 HydrophobicContact CG2-CB 4.28Å; V191-V201 HydrophobicContact CG2-CG1 3.54Å; Y197-V201 HydrophobicContact CD2-CB 4.49Å; Y197-V201 HydrophobicContact CD2-CG1 3.48Å; Y197-V201 VanDerWaalsContact CD2-CG1 3.48Å; Y197-V201 HydrophobicContact CD2-CG2 4.2Å; Y197-V201 HydrophobicContact CE2-CG1 4.29Å; Y197-V201 HydrophobicContact CE2-CG2 4.42Å; Y197-V201 HydrophobicContact CG-CG1 3.87Å; G198-V201 WeakPolarHBondContact O-CG2 3.46Å; G198-V201 PolarHBondContact O-N 3.34Å; R199-V201 PolarHBondContact O-N 2.94Å; V201-C203 VanDerWaalsContact C-N 3.33Å; V201-A205 PolarHBondContact O-N 2.81Å
202	D	98.6	Very high	96.3	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.011	15%	0.148	C	C	.	.	H	α-helix	trans	-71.5	-33.4	178	-68.1	-28.5	0	0	0	110.5	V133 H137 V142 H143 R144 L146 R199 P200 A205 I206	V133-D202 HydrophobicContact CG1-CB 3.84Å; H137-D202 IonicContact CD2-OD2 2.75Å; H137-D202 IonicContact CE1-OD2 2.87Å; H137-D202 IonicContact NE2-OD2 3.59Å; H137-D202 PolarHBondContact NE2-OD2 2.95Å; V142-D202 WeakPolarHBondContact CA-OD2 3.29Å; V142-D202 WeakPolarHBondContact CG1-OD2 3.49Å; H143-D202 WeakPolarHBondContact CB-OD1 3.33Å; H143-D202 PolarHBondContact N-OD1 2.96Å; H143-D202 PolarHBondContact N-OD2 3.3Å; R144-D202 PolarHBondContact N-OD1 3.39Å; L146-D202 HydrophobicContact CD1-CB 3.71Å; R199-D202 PolarHBondContact O-N 2.83Å; R199-D202 VanDerWaalsContact O-N 3.15Å; P200-D202 PolarHBondContact O-N 3.16Å; D202-A205 PolarHBondContact O-N 2.76Å; D202-I206 VanDerWaalsContact O-CG1 3.27Å; D202-I206 WeakPolarHBondContact O-CG1 3.24Å; D202-I206 PolarHBondContact O-N 2.72Å
203	C	98.8	Very high	96.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-69.4	-40.8	178.7	-57.4	0	0	0	0	111.1	P200 V201 A205 I206 G207 L266 L275 A277	P200-C203 PolarHBondContact O-N 2.86Å; P200-C203 VanDerWaalsContact O-N 3.14Å; V201-C203 VanDerWaalsContact C-N 3.33Å; C203-A205 PolarHBondContact O-N 2.74Å; C203-I206 PolarHBondContact O-N 3.11Å; C203-G207 PolarHBondContact O-N 3.47Å; C203-L266 HydrophobicContact CB-CD2 4.05Å; C203-L275 WeakPolarHBondContact CB-O 3.28Å; C203-L275 PolarHBondContact SG-O 3.03Å; C203-A277 PolarHBondContact SG-N 3.32Å; C203-A277 VanDerWaalsContact SG-N 3.39Å
204	W	98.8	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.9	-49.1	170.3	176.8	-84.4	0	0	0	112.1	L187 A188 P189 P200 I206 G207 V208 F220 I240 L266 M267 V269	L187-W204 PolarHBondContact O-NE1 3.38Å; A188-W204 VanDerWaalsContact CA-CD1 3.47Å; A188-W204 HydrophobicContact CB-CB 3.78Å; A188-W204 HydrophobicContact CB-CD2 4.17Å; A188-W204 HydrophobicContact CB-CG 3.65Å; P189-W204 HydrophobicContact CG-CE3 4.08Å; P189-W204 HydrophobicContact CG-CH2 3.39Å; P189-W204 HydrophobicContact CG-CZ2 3.84Å; P189-W204 HydrophobicContact CG-CZ3 3.51Å; P200-W204 PolarHBondContact O-N 2.81Å; W204-I206 VanDerWaalsContact C-N 3.27Å; W204-I206 PolarHBondContact O-N 3.33Å; W204-G207 WeakPolarHBondContact O-CA 3.49Å; W204-G207 PolarHBondContact O-N 3.4Å; W204-V208 PolarHBondContact O-N 2.85Å; W204-F220 HydrophobicContact CH2-CE2 4.47Å; W204-F220 AromaticContact CH2-CZ 3.83Å; W204-F220 HydrophobicContact CH2-CZ 3.83Å; W204-F220 AromaticContact CZ2-CE2 3.59Å; W204-F220 HydrophobicContact CZ2-CE2 3.59Å; W204-F220 AromaticContact CZ2-CZ 3.38Å; W204-F220 HydrophobicContact CZ2-CZ 3.38Å; W204-I240 HydrophobicContact CZ2-CG2 4.07Å; W204-L266 VanDerWaalsContact CA-O 3.31Å; W204-L266 WeakPolarHBondContact CA-O 3.48Å; W204-M267 HydrophobicContact CE3-CB 4.2Å; W204-M267 HydrophobicContact CZ2-CE 4.42Å; W204-M267 VanDerWaalsContact CZ3-C 3.46Å; W204-M267 HydrophobicContact CZ3-CB 4.16Å; W204-M267 WeakPolarHBondContact CZ3-O 3.3Å; W204-V269 HydrophobicContact CZ3-CG2 4.45Å
205	A	98.6	Very high	96.3	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.033	9%	0.089	C	C	.	.	H	α-helix	trans	-62.3	-33.7	178.9	0	0	0	0	0	112.5	L146 V201 D202 C203 V208 I209	L146-A205 HydrophobicContact CB-CB 3.85Å; V201-A205 PolarHBondContact O-N 2.81Å; D202-A205 PolarHBondContact O-N 2.76Å; C203-A205 PolarHBondContact O-N 2.74Å; A205-V208 PolarHBondContact O-N 3.2Å; A205-I209 WeakPolarHBondContact O-CB 3.43Å; A205-I209 WeakPolarHBondContact O-CD1 3.33Å; A205-I209 WeakPolarHBondContact O-CG1 3.31Å; A205-I209 PolarHBondContact O-N 3.3Å
206	I	98.7	Very high	96.1	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-66.6	-39.8	171.3	-64.9	166.5	0	0	0	111.2	V126 V129 L130 V133 L146 D202 C203 W204 I209 M210 L266	V126-I206 HydrophobicContact CG1-CG2 3.98Å; V129-I206 HydrophobicContact CG1-CD1 4.06Å; V129-I206 HydrophobicContact CG1-CG1 3.94Å; L130-I206 HydrophobicContact CD2-CD1 3.78Å; L130-I206 HydrophobicContact CD2-CG2 4.03Å; L130-I206 HydrophobicContact CG-CD1 4.46Å; L130-I206 HydrophobicContact CG-CG2 4.27Å; V133-I206 HydrophobicContact CB-CD1 4.09Å; V133-I206 HydrophobicContact CG1-CD1 4.12Å; V133-I206 HydrophobicContact CG2-CD1 4.04Å; L146-I206 HydrophobicContact CD1-CD1 4.19Å; L146-I206 HydrophobicContact CD1-CG1 3.91Å; D202-I206 VanDerWaalsContact O-CG1 3.27Å; D202-I206 WeakPolarHBondContact O-CG1 3.24Å; D202-I206 PolarHBondContact O-N 2.72Å; C203-I206 PolarHBondContact O-N 3.11Å; W204-I206 VanDerWaalsContact C-N 3.27Å; W204-I206 PolarHBondContact O-N 3.33Å; I206-I209 PolarHBondContact O-N 3.39Å; I206-M210 WeakPolarHBondContact O-CB 3.49Å; I206-M210 PolarHBondContact O-N 2.98Å; I206-L266 HydrophobicContact CG2-CD1 4.18Å
207	G	98.7	Very high	95.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58.3	-47.6	172.5	0	0	0	0	0	112.4	C203 W204 I209 M210 Y211 M267	C203-G207 PolarHBondContact O-N 3.47Å; W204-G207 WeakPolarHBondContact O-CA 3.49Å; W204-G207 PolarHBondContact O-N 3.4Å; G207-I209 PolarHBondContact O-N 3.14Å; G207-M210 PolarHBondContact O-N 3.18Å; G207-Y211 PolarHBondContact O-N 2.74Å; G207-M267 VanDerWaalsContact C-SD 3.52Å
208	V	98.1	Very high	95.8	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-60.7	-43.1	174.7	175	0	0	0	0	111.7	Y186 W204 A205 Y211 I212 P219 F220 M267	Y186-V208 HydrophobicContact CD1-CB 4.07Å; Y186-V208 HydrophobicContact CD1-CG1 3.55Å; Y186-V208 HydrophobicContact CE1-CG1 3.88Å; Y186-V208 HydrophobicContact CG-CG1 4.31Å; W204-V208 PolarHBondContact O-N 2.85Å; A205-V208 PolarHBondContact O-N 3.2Å; V208-Y211 PolarHBondContact O-N 3.34Å; V208-I212 HydrophobicContact CG1-CD1 3.94Å; V208-I212 WeakPolarHBondContact O-CD1 3.33Å; V208-I212 VanDerWaalsContact O-CG1 3.31Å; V208-I212 WeakPolarHBondContact O-CG1 3.26Å; V208-I212 PolarHBondContact O-N 2.92Å; V208-I212 VanDerWaalsContact O-N 3.08Å; V208-P219 HydrophobicContact CB-CG 4.45Å; V208-P219 HydrophobicContact CG1-CG 4.01Å; V208-P219 HydrophobicContact CG2-CG 4.19Å; V208-F220 HydrophobicContact CG2-CE2 4.27Å; V208-M267 HydrophobicContact CG2-CE 3.95Å; V208-M267 HydrophobicContact CG2-SD 4.05Å
209	I	96.4	Very high	95.6	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.015	6%	0.062	C	C	.	.	H	α-helix	trans	-60.3	-45.9	174.4	-72.4	160.5	0	0	0	110.8	L146 L148 L151 Y186 A205 I206 G207 I212 L213	L146-I209 HydrophobicContact CB-CD1 4.19Å; L148-I209 HydrophobicContact CD2-CG2 3.94Å; L151-I209 HydrophobicContact CD1-CD1 4.24Å; L151-I209 HydrophobicContact CD1-CG2 4.07Å; Y186-I209 HydrophobicContact CD1-CG1 4.11Å; Y186-I209 HydrophobicContact CE1-CG1 3.79Å; A205-I209 WeakPolarHBondContact O-CB 3.43Å; A205-I209 WeakPolarHBondContact O-CD1 3.33Å; A205-I209 WeakPolarHBondContact O-CG1 3.31Å; A205-I209 PolarHBondContact O-N 3.3Å; I206-I209 PolarHBondContact O-N 3.39Å; G207-I209 PolarHBondContact O-N 3.14Å; I209-I212 PolarHBondContact O-N 3.14Å; I209-L213 HydrophobicContact CG2-CD1 3.72Å; I209-L213 HydrophobicContact CG2-CG 4.27Å; I209-L213 WeakPolarHBondContact O-CB 3.36Å; I209-L213 VanDerWaalsContact O-CG 3.25Å; I209-L213 WeakPolarHBondContact O-CG 3.23Å; I209-L213 PolarHBondContact O-N 3.46Å
210	M	97.6	Very high	95.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.8	-43.7	178.7	-176.6	175	168.2	0	0	111.4	V126 I206 G207 I212 L213 L214 A259 L262 V263 W285	V126-M210 HydrophobicContact CG1-SD 4.49Å; V126-M210 HydrophobicContact CG2-CB 4.21Å; V126-M210 HydrophobicContact CG2-CG 4.26Å; I206-M210 WeakPolarHBondContact O-CB 3.49Å; I206-M210 PolarHBondContact O-N 2.98Å; G207-M210 PolarHBondContact O-N 3.18Å; M210-I212 PolarHBondContact O-N 3.33Å; M210-L213 PolarHBondContact O-N 3.36Å; M210-L214 HydrophobicContact CE-CD1 3.72Å; M210-L214 HydrophobicContact CG-CD1 3.85Å; M210-L214 HydrophobicContact CG-CG 4.41Å; M210-L214 WeakPolarHBondContact O-CB 3.34Å; M210-L214 VanDerWaalsContact O-CG 3.3Å; M210-L214 WeakPolarHBondContact O-CG 3.43Å; M210-L214 PolarHBondContact O-N 2.67Å; M210-A259 HydrophobicContact CE-CB 4.07Å; M210-A259 WeakPolarHBondContact CE-O 3.31Å; M210-L262 HydrophobicContact CE-CB 4.05Å; M210-L262 HydrophobicContact CE-CD2 4.04Å; M210-L262 HydrophobicContact CE-CG 4.24Å; M210-L262 HydrophobicContact SD-CB 4.36Å; M210-L262 HydrophobicContact SD-CD2 3.92Å; M210-L262 HydrophobicContact SD-CG 3.98Å; M210-V263 HydrophobicContact CB-CG2 4.15Å; M210-V263 HydrophobicContact CE-CG2 3.81Å; M210-V263 HydrophobicContact CG-CG2 3.66Å; M210-V263 HydrophobicContact SD-CG2 3.74Å; M210-W285 HydrophobicContact CE-CD2 3.72Å; M210-W285 HydrophobicContact CE-CE3 3.41Å; M210-W285 VanDerWaalsContact CE-CE3 3.41Å; M210-W285 HydrophobicContact CE-CH2 3.55Å; M210-W285 HydrophobicContact CE-CZ2 3.89Å; M210-W285 HydrophobicContact CE-CZ3 3.3Å; M210-W285 HydrophobicContact SD-CE3 4.29Å; M210-W285 HydrophobicContact SD-CH2 4.42Å; M210-W285 HydrophobicContact SD-CZ3 3.91Å
211	Y	97.1	Very high	94.3	Very high	3 Å²	3	8.3 Å²	8.3	1%	0.012	5%	0.046	C	C	.	.	H	α-helix	trans	-55.5	-48.5	174.6	-174.6	-73.1	0	0	0	111.6	G207 V208 L214 S215 N217 P219 Y245 E246 F247 W252 V263	G207-Y211 PolarHBondContact O-N 2.74Å; V208-Y211 PolarHBondContact O-N 3.34Å; Y211-L214 PolarHBondContact O-N 3.12Å; Y211-S215 WeakPolarHBondContact CE1-OG 3.3Å; Y211-S215 PolarHBondContact O-N 2.84Å; Y211-S215 VanDerWaalsContact O-N 3.08Å; Y211-S215 PolarHBondContact O-OG 3.43Å; Y211-N217 WeakPolarHBondContact CD1-O 3.36Å; Y211-N217 HydrophobicContact CE1-CB 4.42Å; Y211-N217 VanDerWaalsContact CE1-O 3.28Å; Y211-N217 WeakPolarHBondContact CE1-O 3.47Å; Y211-P219 HydrophobicContact CD1-CB 3.71Å; Y211-P219 HydrophobicContact CD1-CG 4.06Å; Y211-P219 HydrophobicContact CD2-CB 3.82Å; Y211-P219 VanDerWaalsContact CE1-CA 3.45Å; Y211-P219 HydrophobicContact CE1-CB 3.91Å; Y211-P219 HydrophobicContact CE2-CB 4.02Å; Y211-P219 HydrophobicContact CG-CB 3.71Å; Y211-P219 HydrophobicContact CG-CG 4.1Å; Y211-Y245 HydrophobicContact CD2-CD2 4.29Å; Y211-Y245 HydrophobicContact CE2-CD2 4.1Å; Y211-E246 PolarHBondContact OH-O 3.19Å; Y211-F247 HydrophobicContact CD2-CD1 4.46Å; Y211-F247 HydrophobicContact CD2-CE1 4.14Å; Y211-F247 HydrophobicContact CE2-CD1 4.01Å; Y211-F247 HydrophobicContact CE2-CE1 4.12Å; Y211-W252 HydrophobicContact CD1-CZ2 4.04Å; Y211-W252 AromaticContact CD2-CH2 3.99Å; Y211-W252 HydrophobicContact CD2-CH2 3.99Å; Y211-W252 AromaticContact CD2-CZ2 3.32Å; Y211-W252 HydrophobicContact CD2-CZ2 3.32Å; Y211-W252 HydrophobicContact CE1-CZ2 4.09Å; Y211-W252 AromaticContact CE2-CE2 3.64Å; Y211-W252 HydrophobicContact CE2-CH2 4.35Å; Y211-W252 AromaticContact CE2-CZ2 3.37Å; Y211-W252 HydrophobicContact CE2-CZ2 3.37Å; Y211-W252 AromaticContact CE2-NE1 3.56Å; Y211-W252 HydrophobicContact CG-CH2 4.32Å; Y211-W252 AromaticContact CG-CZ2 3.64Å; Y211-W252 HydrophobicContact CG-CZ2 3.64Å; Y211-W252 AromaticContact CZ-CE2 3.79Å; Y211-W252 AromaticContact CZ-CZ2 3.75Å; Y211-W252 AromaticContact CZ-NE1 3.3Å; Y211-W252 VanDerWaalsContact CZ-NE1 3.3Å; Y211-W252 PolarHBondContact OH-NE1 3.18Å; Y211-W252 VanDerWaalsContact OH-NE1 3.08Å; Y211-V263 HydrophobicContact CD2-CG1 4.09Å
212	I	93.8	Very high	93	Very high	15 Å²	15	9.4 Å²	9.4	8%	0.077	5%	0.051	C	C	.	.	H	α-helix	trans	-66.6	-40.3	179.6	-62.4	159.5	0	0	0	111.4	F108 L148 Y186 V208 I209 M210 L214 G216 N217	F108-I212 HydrophobicContact CE2-CG2 4.29Å; L148-I212 HydrophobicContact CD1-CB 4.12Å; L148-I212 HydrophobicContact CD1-CD1 4.29Å; L148-I212 HydrophobicContact CD1-CG2 3.56Å; Y186-I212 HydrophobicContact CE1-CD1 3.91Å; V208-I212 HydrophobicContact CG1-CD1 3.94Å; V208-I212 WeakPolarHBondContact O-CD1 3.33Å; V208-I212 VanDerWaalsContact O-CG1 3.31Å; V208-I212 WeakPolarHBondContact O-CG1 3.26Å; V208-I212 PolarHBondContact O-N 2.92Å; V208-I212 VanDerWaalsContact O-N 3.08Å; I209-I212 PolarHBondContact O-N 3.14Å; M210-I212 PolarHBondContact O-N 3.33Å; I212-L214 VanDerWaalsContact C-N 3.29Å; I212-L214 PolarHBondContact O-N 3.38Å; I212-G216 VanDerWaalsContact O-CA 3.31Å; I212-G216 WeakPolarHBondContact O-CA 3.3Å; I212-G216 PolarHBondContact O-N 3.33Å; I212-N217 WeakPolarHBondContact CA-O 3.41Å; I212-N217 WeakPolarHBondContact CG1-O 3.36Å
213	L	93.2	Very high	91.3	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.016	8%	0.077	C	C	.	.	H	α-helix	trans	-68.4	-25.7	179.8	-72.8	175.2	0	0	0	113.5	V107 I111 Y117 T122 V125 V126 L148 I209 M210	V107-L213 HydrophobicContact CG1-CD2 4.14Å; I111-L213 HydrophobicContact CD1-CD2 3.52Å; Y117-L213 VanDerWaalsContact CE1-O 3.28Å; Y117-L213 WeakPolarHBondContact CE1-O 3.49Å; Y117-L213 PolarHBondContact OH-O 2.84Å; T122-L213 HydrophobicContact CG2-CB 3.58Å; T122-L213 HydrophobicContact CG2-CD1 4.14Å; V125-L213 HydrophobicContact CG1-CD1 4.15Å; V126-L213 HydrophobicContact CG2-CD1 4.46Å; L148-L213 HydrophobicContact CD2-CD1 4.34Å; L148-L213 HydrophobicContact CD2-CD2 3.75Å; L148-L213 HydrophobicContact CD2-CG 3.97Å; I209-L213 HydrophobicContact CG2-CD1 3.72Å; I209-L213 HydrophobicContact CG2-CG 4.27Å; I209-L213 WeakPolarHBondContact O-CB 3.36Å; I209-L213 VanDerWaalsContact O-CG 3.25Å; I209-L213 WeakPolarHBondContact O-CG 3.23Å; I209-L213 PolarHBondContact O-N 3.46Å; M210-L213 PolarHBondContact O-N 3.36Å
214	L	94.8	Very high	89.5	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-89.4	-32.6	178.6	-69	175.1	0	0	0	113.8	E119 T122 M210 Y211 I212 W252 I255 A259 V263 W285 I296 V300	E119-L214 HydrophobicContact CB-CD2 4.5Å; E119-L214 HydrophobicContact CG-CD2 3.89Å; T122-L214 HydrophobicContact CG2-CD2 3.86Å; T122-L214 HydrophobicContact CG2-CG 4.11Å; M210-L214 HydrophobicContact CE-CD1 3.72Å; M210-L214 HydrophobicContact CG-CD1 3.85Å; M210-L214 HydrophobicContact CG-CG 4.41Å; M210-L214 WeakPolarHBondContact O-CB 3.34Å; M210-L214 VanDerWaalsContact O-CG 3.3Å; M210-L214 WeakPolarHBondContact O-CG 3.43Å; M210-L214 PolarHBondContact O-N 2.67Å; Y211-L214 PolarHBondContact O-N 3.12Å; I212-L214 VanDerWaalsContact C-N 3.29Å; I212-L214 PolarHBondContact O-N 3.38Å; L214-W252 HydrophobicContact CB-CH2 3.79Å; L214-W252 HydrophobicContact CB-CZ2 4.38Å; L214-W252 HydrophobicContact CB-CZ3 4.13Å; L214-W252 HydrophobicContact CD1-CH2 3.91Å; L214-W252 HydrophobicContact CD1-CZ3 3.92Å; L214-W252 HydrophobicContact CG-CH2 4.5Å; L214-I255 HydrophobicContact CB-CD1 4.43Å; L214-I255 HydrophobicContact CD1-CG2 4.23Å; L214-A259 HydrophobicContact CD1-CB 3.89Å; L214-V263 HydrophobicContact CD1-CG2 4.28Å; L214-W285 HydrophobicContact CD1-CZ2 4.4Å; L214-W285 HydrophobicContact CD2-CH2 4.31Å; L214-W285 HydrophobicContact CD2-CZ2 3.96Å; L214-I296 HydrophobicContact CD2-CD1 4.43Å; L214-V300 VanDerWaalsContact O-CG2 3.23Å; L214-V300 WeakPolarHBondContact O-CG2 3.4Å
215	S	92.2	Very high	87.3	Confident	2 Å²	2	21 Å²	21	1%	0.014	12%	0.117	C	C	.	.	H	α-helix	trans	-111.6	-20.5	-173.3	67.3	0	0	0	0	115.2	Y211 N217	Y211-S215 WeakPolarHBondContact CE1-OG 3.3Å; Y211-S215 PolarHBondContact O-N 2.84Å; Y211-S215 VanDerWaalsContact O-N 3.08Å; Y211-S215 PolarHBondContact O-OG 3.43Å; S215-N217 PolarHBondContact O-N 3.45Å; S215-N217 PolarHBondContact OG-N 2.99Å; S215-N217 VanDerWaalsContact OG-N 3.12Å; S215-N217 PolarHBondContact OG-O 2.8Å
216	G	88.7	Confident	85.3	Confident	3 Å²	3	25 Å²	25	3%	0.031	14%	0.138	C	C	.	.	S	Bend	trans	75.3	-1.1	-168	0	0	0	0	0	115	I212 N307	I212-G216 VanDerWaalsContact O-CA 3.31Å; I212-G216 WeakPolarHBondContact O-CA 3.3Å; I212-G216 PolarHBondContact O-N 3.33Å; G216-N307 PolarHBondContact O-ND2 2.74Å
217	N	88.9	Confident	83.2	Confident	15 Å²	15	33 Å²	33	8%	0.08	18%	0.181	C	C	.	.	S	Bend	trans	-112.9	148.2	-178.2	-72	-44.8	0	0	0	111.9	Y211 I212 S215 Y251 N307	Y211-N217 WeakPolarHBondContact CD1-O 3.36Å; Y211-N217 HydrophobicContact CE1-CB 4.42Å; Y211-N217 VanDerWaalsContact CE1-O 3.28Å; Y211-N217 WeakPolarHBondContact CE1-O 3.47Å; I212-N217 WeakPolarHBondContact CA-O 3.41Å; I212-N217 WeakPolarHBondContact CG1-O 3.36Å; S215-N217 PolarHBondContact O-N 3.45Å; S215-N217 PolarHBondContact OG-N 2.99Å; S215-N217 VanDerWaalsContact OG-N 3.12Å; S215-N217 PolarHBondContact OG-O 2.8Å; N217-Y251 VanDerWaalsContact ND2-CD2 3.28Å; N217-Y251 WeakPolarHBondContact ND2-CD2 3.48Å; N217-N307 PolarHBondContact OD1-ND2 2.93Å
218	P	90.8	Very high	81.5	Confident	45 Å²	45	36.6 Å²	36.6	29%	0.292	20%	0.2	S	C	.	.			trans	-71.3	141.5	164.3	-13.3	29	0	0	0	111.2	F220 Y221	P218-F220 VanDerWaalsContact C-N 3.32Å; P218-F220 PolarHBondContact O-N 3.42Å; P218-Y221 HydrophobicContact CG-CD2 4.47Å; P218-Y221 WeakPolarHBondContact O-CB 3.35Å; P218-Y221 PolarHBondContact O-N 3.32Å
219	P	92.9	Very high	79.5	Confident	12 Å²	12	43.3 Å²	43.3	8%	0.078	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-32.4	-177	21.9	-30.3	0	0	0	113.8	V208 Y211 Y245 M267	V208-P219 HydrophobicContact CB-CG 4.45Å; V208-P219 HydrophobicContact CG1-CG 4.01Å; V208-P219 HydrophobicContact CG2-CG 4.19Å; Y211-P219 HydrophobicContact CD1-CB 3.71Å; Y211-P219 HydrophobicContact CD1-CG 4.06Å; Y211-P219 HydrophobicContact CD2-CB 3.82Å; Y211-P219 VanDerWaalsContact CE1-CA 3.45Å; Y211-P219 HydrophobicContact CE1-CB 3.91Å; Y211-P219 HydrophobicContact CE2-CB 4.02Å; Y211-P219 HydrophobicContact CG-CB 3.71Å; Y211-P219 HydrophobicContact CG-CG 4.1Å; P219-Y245 HydrophobicContact CB-CG 4.27Å; P219-Y245 WeakPolarHBondContact O-CB 3.42Å; P219-M267 HydrophobicContact CB-CE 3.85Å; P219-M267 HydrophobicContact CG-CE 3.81Å; P219-M267 HydrophobicContact CG-SD 4.44Å
220	F	90.7	Very high	77.7	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.035	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	25.3	-176.8	-53.3	-64.5	0	0	0	112.6	W204 V208 P218 L236 K239 I240 Y245 M267	W204-F220 HydrophobicContact CH2-CE2 4.47Å; W204-F220 AromaticContact CH2-CZ 3.83Å; W204-F220 HydrophobicContact CH2-CZ 3.83Å; W204-F220 AromaticContact CZ2-CE2 3.59Å; W204-F220 HydrophobicContact CZ2-CE2 3.59Å; W204-F220 AromaticContact CZ2-CZ 3.38Å; W204-F220 HydrophobicContact CZ2-CZ 3.38Å; V208-F220 HydrophobicContact CG2-CE2 4.27Å; P218-F220 VanDerWaalsContact C-N 3.32Å; P218-F220 PolarHBondContact O-N 3.42Å; F220-L236 HydrophobicContact CB-CD1 3.52Å; F220-L236 HydrophobicContact CG-CD1 4.46Å; F220-K239 HydrophobicContact CB-CB 4.26Å; F220-K239 HydrophobicContact CD1-CB 3.85Å; F220-K239 HydrophobicContact CG-CB 4.44Å; F220-I240 HydrophobicContact CB-CG1 4.35Å; F220-I240 HydrophobicContact CD1-CG1 4.28Å; F220-I240 HydrophobicContact CD2-CD1 4.28Å; F220-I240 HydrophobicContact CD2-CG1 3.48Å; F220-I240 VanDerWaalsContact CD2-CG1 3.48Å; F220-I240 HydrophobicContact CE2-CG1 3.79Å; F220-I240 HydrophobicContact CG-CG1 3.77Å; F220-I240 HydrophobicContact CZ-CG1 4.3Å; F220-Y245 AromaticContact CE1-CD1 3.76Å; F220-Y245 HydrophobicContact CE1-CD1 3.76Å; F220-Y245 HydrophobicContact CE1-CG 4.24Å; F220-Y245 AromaticContact CZ-CD1 3.98Å; F220-Y245 HydrophobicContact CZ-CD1 3.98Å; F220-M267 HydrophobicContact CE1-CE 4.38Å; F220-M267 HydrophobicContact CE2-CE 3.59Å; F220-M267 HydrophobicContact CZ-CE 3.38Å
221	Y	75.5	Confident	76.2	Confident	46 Å²	46	53 Å²	53	18%	0.18	27%	0.273	C	S	.	.			trans	-66.1	162.6	175.1	-170.1	-103.3	0	0	0	111	P218 E223 K239 R310	P218-Y221 HydrophobicContact CG-CD2 4.47Å; P218-Y221 WeakPolarHBondContact O-CB 3.35Å; P218-Y221 PolarHBondContact O-N 3.32Å; Y221-E223 HydrophobicContact CD1-CG 4.17Å; Y221-E223 HydrophobicContact CE1-CG 4.09Å; Y221-K239 PolarHBondContact O-NZ 3.37Å; Y221-R310 PolarHBondContact OH-NH1 2.9Å
222	D	70.3	Confident	75.1	Confident	32 Å²	32	55 Å²	55	17%	0.171	28%	0.282	C	S	.	.			trans	-131.2	122.7	169.6	-151.9	-63.6	0	0	0	109.8	S224 D225 K239	D222-S224 VanDerWaalsContact C-N 3.28Å; D222-S224 WeakPolarHBondContact OD1-CB 3.39Å; D222-S224 PolarHBondContact OD1-N 3.21Å; D222-S224 PolarHBondContact OD1-OG 3.15Å; D222-D225 HydrophobicContact CB-CB 4.3Å; D222-K239 VanDerWaalsContact OD2-CE 3.26Å; D222-K239 WeakPolarHBondContact OD2-CE 3.39Å; D222-K239 IonicContact OD2-NZ 3.75Å; D222-K239 PolarHBondContact OD2-NZ 3.37Å
223	E	63.4	Low	74.2	Confident	118 Å²	118	58.1 Å²	58.1	55%	0.551	30%	0.299	S	S	*	.	S	Bend	trans	-77.4	-13	177.1	-65.8	-137	114.6	0	0	113.1	Y221 K306 R310	Y221-E223 HydrophobicContact CD1-CG 4.17Å; Y221-E223 HydrophobicContact CE1-CG 4.09Å; E223-K306 IonicContact OE1-NZ 4Å; E223-K306 PolarHBondContact OE1-NZ 2.97Å; E223-R310 IonicContact OE1-NH1 3.49Å
224	S	60.1	Low	73.8	Confident	98 Å²	98	63.7 Å²	63.7	69%	0.685	32%	0.323	S	S	*	.	S	Bend	trans	-97.6	-21	-175.6	69.7	0	0	0	0	115	D222 D226	D222-S224 VanDerWaalsContact C-N 3.28Å; D222-S224 WeakPolarHBondContact OD1-CB 3.39Å; D222-S224 PolarHBondContact OD1-N 3.21Å; D222-S224 PolarHBondContact OD1-OG 3.15Å; S224-D226 PolarHBondContact O-N 3.2Å
225	D	54	Low	73.4	Confident	32 Å²	32	66 Å²	66	17%	0.171	34%	0.335	C	S	.	.			trans	-88.7	56.1	-177.6	-73.9	-33.6	0	0	0	113.9	D222 N235	D222-D225 HydrophobicContact CB-CB 4.3Å; D225-N235 PolarHBondContact OD2-ND2 3.07Å
226	D	55.2	Low	73.3	Confident	87 Å²	87	66.5 Å²	66.5	47%	0.465	34%	0.338	S	S	.	.	S	Bend	trans	-83.5	-17.5	175.4	-95.7	-25	0	0	0	113.9	S224 R310 K314	S224-D226 PolarHBondContact O-N 3.2Å; D226-R310 IonicContact OD2-NH2 2.85Å; D226-K314 IonicContact OD1-NZ 2.59Å
227	D	55.8	Low	73.4	Confident	170 Å²	170	69.3 Å²	69.3	91%	0.909	35%	0.349	S	S	*	.	S	Bend	trans	-112.9	-20.9	-173.6	-75.8	-43.5	0	0	0	117.1
228	D	61.3	Low	73.6	Confident	74 Å²	74	75 Å²	75	40%	0.396	37%	0.37	S	S	.	.			trans	-112	86	-177.7	-167.9	-9.8	0	0	0	114.2	E230 N231 H232	D228-E230 VanDerWaalsContact C-N 3.26Å; D228-E230 PolarHBondContact O-N 3.2Å; D228-E230 PolarHBondContact OD1-N 2.83Å; D228-E230 VanDerWaalsContact OD1-N 3.13Å; D228-N231 PolarHBondContact O-N 3.48Å; D228-N231 PolarHBondContact OD1-N 2.94Å; D228-N231 PolarHBondContact OD2-ND2 2.86Å; D228-H232 PolarHBondContact O-N 3.41Å
229	Y	56.3	Low	73.8	Confident	143 Å²	143	74.5 Å²	74.5	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-65.2	-21.2	-179	-166.5	-103.7	0	0	0	114.5
230	E	60.3	Low	73.9	Confident	153 Å²	153	74 Å²	74	72%	0.715	36%	0.359	S	S	*	.	H	α-helix	trans	-83.2	-13.8	179.5	-69.5	-167	-176.5	0	0	113.1	D228 K234	D228-E230 VanDerWaalsContact C-N 3.26Å; D228-E230 PolarHBondContact O-N 3.2Å; D228-E230 PolarHBondContact OD1-N 2.83Å; D228-E230 VanDerWaalsContact OD1-N 3.13Å; E230-K234 WeakPolarHBondContact O-CE 3.41Å; E230-K234 PolarHBondContact O-NZ 2.93Å; E230-K234 VanDerWaalsContact O-NZ 3.16Å
231	N	65.7	Low	74.2	Confident	53 Å²	53	77.4 Å²	77.4	28%	0.283	38%	0.378	S	S	.	.	H	α-helix	trans	-100.6	-17.5	174.8	-76.1	-36	0	0	0	113.8	D228 D233 K234 N235	D228-N231 PolarHBondContact O-N 3.48Å; D228-N231 PolarHBondContact OD1-N 2.94Å; D228-N231 PolarHBondContact OD2-ND2 2.86Å; N231-D233 PolarHBondContact O-N 3.01Å; N231-K234 WeakPolarHBondContact O-CA 3.25Å; N231-K234 WeakPolarHBondContact O-CB 3.43Å; N231-K234 PolarHBondContact O-N 3.19Å; N231-K234 WeakPolarHBondContact OD1-CD 3.43Å; N231-K234 PolarHBondContact OD1-NZ 3.33Å; N231-N235 PolarHBondContact O-N 3.3Å
232	H	72.5	Confident	75.2	Confident	44 Å²	44	77.7 Å²	77.7	20%	0.204	39%	0.389	C	S	.	.	H	α-helix	trans	-51	-54.5	179.7	-173.6	64.2	0	0	0	114.1	D228 K234 N235 L236	D228-H232 PolarHBondContact O-N 3.41Å; H232-K234 VanDerWaalsContact C-N 3.26Å; H232-K234 PolarHBondContact O-N 3.45Å; H232-N235 PolarHBondContact O-N 3.06Å; H232-L236 WeakPolarHBondContact O-CB 3.37Å; H232-L236 PolarHBondContact O-N 2.81Å
233	D	76.3	Confident	76.4	Confident	81 Å²	81	76.4 Å²	76.4	43%	0.433	38%	0.384	S	S	.	.	H	α-helix	trans	-62.7	-32.8	179	-74.1	3.1	0	0	0	111.8	N231 F237	N231-D233 PolarHBondContact O-N 3.01Å; D233-F237 HydrophobicContact CB-CE2 4.22Å; D233-F237 WeakPolarHBondContact O-CB 3.37Å; D233-F237 WeakPolarHBondContact O-CD2 3.46Å; D233-F237 WeakPolarHBondContact O-CG 3.18Å; D233-F237 PolarHBondContact O-N 2.97Å
234	K	84.4	Confident	77.9	Confident	120 Å²	120	73.3 Å²	73.3	52%	0.522	37%	0.371	S	S	.	.	H	α-helix	trans	-71.2	-42.3	178.5	-56.4	177	-159.6	145.8	0	111.2	E230 N231 H232 F237 R238	E230-K234 WeakPolarHBondContact O-CE 3.41Å; E230-K234 PolarHBondContact O-NZ 2.93Å; E230-K234 VanDerWaalsContact O-NZ 3.16Å; N231-K234 WeakPolarHBondContact O-CA 3.25Å; N231-K234 WeakPolarHBondContact O-CB 3.43Å; N231-K234 PolarHBondContact O-N 3.19Å; N231-K234 WeakPolarHBondContact OD1-CD 3.43Å; N231-K234 PolarHBondContact OD1-NZ 3.33Å; H232-K234 VanDerWaalsContact C-N 3.26Å; H232-K234 PolarHBondContact O-N 3.45Å; K234-F237 PolarHBondContact O-N 2.83Å; K234-R238 WeakPolarHBondContact O-CB 3.31Å; K234-R238 PolarHBondContact O-N 3.27Å
235	N	86.4	Confident	79.6	Confident	49 Å²	49	69 Å²	69	26%	0.262	34%	0.34	S	S	.	.	H	α-helix	trans	-67.6	-43.8	177.9	-71.8	-10.7	0	0	0	110.6	D225 N231 H232 F237 R238 K239	D225-N235 PolarHBondContact OD2-ND2 3.07Å; N231-N235 PolarHBondContact O-N 3.3Å; H232-N235 PolarHBondContact O-N 3.06Å; N235-F237 PolarHBondContact O-N 2.94Å; N235-R238 WeakPolarHBondContact O-CB 3.39Å; N235-R238 PolarHBondContact O-N 3.08Å; N235-K239 WeakPolarHBondContact O-CG 3.49Å; N235-K239 PolarHBondContact O-N 2.78Å
236	L	89	Confident	81.5	Confident	13 Å²	13	71 Å²	71	7%	0.068	35%	0.349	C	S	.	.	H	α-helix	trans	-53.9	-52	170.3	174.1	60.1	0	0	0	111.6	P184 E185 F220 H232 R238 K239 I240	P184-L236 HydrophobicContact CB-CD2 4.15Å; E185-L236 HydrophobicContact CG-CD2 4.26Å; F220-L236 HydrophobicContact CB-CD1 3.52Å; F220-L236 HydrophobicContact CG-CD1 4.46Å; H232-L236 WeakPolarHBondContact O-CB 3.37Å; H232-L236 PolarHBondContact O-N 2.81Å; L236-R238 PolarHBondContact O-N 3.22Å; L236-K239 PolarHBondContact O-N 3.4Å; L236-I240 HydrophobicContact CD1-CD1 3.74Å; L236-I240 HydrophobicContact CD1-CG1 4.23Å; L236-I240 HydrophobicContact CG-CD1 3.89Å; L236-I240 WeakPolarHBondContact O-CG1 3.35Å; L236-I240 PolarHBondContact O-N 3.48Å
237	F	91.8	Very high	83.4	Confident	62 Å²	62	69.1 Å²	69.1	27%	0.272	34%	0.336	S	S	.	.	H	α-helix	trans	-66	-35	178.7	-66.3	-25.3	0	0	0	113.1	P184 L187 V192 D233 K234 N235 I240 L241	P184-F237 HydrophobicContact CB-CE1 4.02Å; P184-F237 HydrophobicContact CB-CZ 4.25Å; L187-F237 HydrophobicContact CD1-CE1 4.35Å; V192-F237 HydrophobicContact CG1-CB 3.57Å; V192-F237 HydrophobicContact CG1-CD1 3.77Å; V192-F237 HydrophobicContact CG1-CG 3.7Å; V192-F237 HydrophobicContact CG2-CD1 3.93Å; V192-F237 HydrophobicContact CG2-CE1 4.36Å; D233-F237 HydrophobicContact CB-CE2 4.22Å; D233-F237 WeakPolarHBondContact O-CB 3.37Å; D233-F237 WeakPolarHBondContact O-CD2 3.46Å; D233-F237 WeakPolarHBondContact O-CG 3.18Å; D233-F237 PolarHBondContact O-N 2.97Å; K234-F237 PolarHBondContact O-N 2.83Å; N235-F237 PolarHBondContact O-N 2.94Å; F237-I240 HydrophobicContact CD1-CD1 4.36Å; F237-L241 VanDerWaalsContact O-CB 3.31Å; F237-L241 WeakPolarHBondContact O-CB 3.38Å; F237-L241 WeakPolarHBondContact O-CD1 3.49Å; F237-L241 WeakPolarHBondContact O-CG 3.43Å; F237-L241 PolarHBondContact O-N 2.82Å
238	R	93.4	Very high	85.1	Confident	136 Å²	136	64.5 Å²	64.5	51%	0.513	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-45.9	172.7	-168.3	-167.1	74.1	70.7	7.3	110.7	K234 N235 L236 A242 D244	K234-R238 WeakPolarHBondContact O-CB 3.31Å; K234-R238 PolarHBondContact O-N 3.27Å; N235-R238 WeakPolarHBondContact O-CB 3.39Å; N235-R238 PolarHBondContact O-N 3.08Å; L236-R238 PolarHBondContact O-N 3.22Å; R238-A242 PolarHBondContact O-N 2.86Å; R238-D244 IonicContact CZ-OD2 2.78Å; R238-D244 IonicContact NH1-OD2 3.8Å; R238-D244 IonicContact NH2-OD2 2.74Å; R238-D244 PolarHBondContact NH2-OD2 3.43Å
239	K	94.3	Very high	86.4	Confident	34 Å²	34	64.9 Å²	64.9	15%	0.148	32%	0.32	C	S	.	.	H	α-helix	trans	-65.9	-47.1	179.1	-69.5	-170	-174.2	-175.3	0	111.9	F220 Y221 D222 N235 L236 L241 A242 G243 D244	F220-K239 HydrophobicContact CB-CB 4.26Å; F220-K239 HydrophobicContact CD1-CB 3.85Å; F220-K239 HydrophobicContact CG-CB 4.44Å; Y221-K239 PolarHBondContact O-NZ 3.37Å; D222-K239 VanDerWaalsContact OD2-CE 3.26Å; D222-K239 WeakPolarHBondContact OD2-CE 3.39Å; D222-K239 IonicContact OD2-NZ 3.75Å; D222-K239 PolarHBondContact OD2-NZ 3.37Å; N235-K239 WeakPolarHBondContact O-CG 3.49Å; N235-K239 PolarHBondContact O-N 2.78Å; L236-K239 PolarHBondContact O-N 3.4Å; K239-L241 PolarHBondContact O-N 2.61Å; K239-A242 PolarHBondContact O-N 3.49Å; K239-G243 PolarHBondContact O-N 3.28Å; K239-D244 HydrophobicContact CB-CB 3.98Å; K239-D244 HydrophobicContact CG-CB 4.11Å; K239-D244 PolarHBondContact O-N 2.85Å
240	I	95.3	Very high	88	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-55.7	-49.5	175.1	-70.4	166.5	0	0	0	111	L187 P189 V192 W204 F220 L236 F237 A242 G243	L187-I240 WeakPolarHBondContact O-CG2 3.28Å; P189-I240 HydrophobicContact CG-CG2 4.24Å; P189-I240 WeakPolarHBondContact CG-O 3.4Å; V192-I240 HydrophobicContact CB-CG2 4.35Å; V192-I240 HydrophobicContact CG2-CB 4.44Å; V192-I240 HydrophobicContact CG2-CD1 4.41Å; V192-I240 HydrophobicContact CG2-CG2 3.75Å; W204-I240 HydrophobicContact CZ2-CG2 4.07Å; F220-I240 HydrophobicContact CB-CG1 4.35Å; F220-I240 HydrophobicContact CD1-CG1 4.28Å; F220-I240 HydrophobicContact CD2-CD1 4.28Å; F220-I240 HydrophobicContact CD2-CG1 3.48Å; F220-I240 VanDerWaalsContact CD2-CG1 3.48Å; F220-I240 HydrophobicContact CE2-CG1 3.79Å; F220-I240 HydrophobicContact CG-CG1 3.77Å; F220-I240 HydrophobicContact CZ-CG1 4.3Å; L236-I240 HydrophobicContact CD1-CD1 3.74Å; L236-I240 HydrophobicContact CD1-CG1 4.23Å; L236-I240 HydrophobicContact CG-CD1 3.89Å; L236-I240 WeakPolarHBondContact O-CG1 3.35Å; L236-I240 PolarHBondContact O-N 3.48Å; F237-I240 HydrophobicContact CD1-CD1 4.36Å; I240-A242 PolarHBondContact O-N 2.99Å; I240-G243 PolarHBondContact O-N 3.39Å; I240-G243 VanDerWaalsContact O-N 3.13Å
241	L	96.3	Very high	89.3	Confident	80 Å²	80	56.6 Å²	56.6	42%	0.419	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-29	-179.2	-77.4	170.2	0	0	0	114	V192 F237 K239	V192-L241 HydrophobicContact CB-CD2 4.23Å; V192-L241 HydrophobicContact CB-CG 4.35Å; V192-L241 HydrophobicContact CG1-CD1 4.04Å; V192-L241 HydrophobicContact CG1-CD2 4.11Å; V192-L241 HydrophobicContact CG1-CG 3.79Å; F237-L241 VanDerWaalsContact O-CB 3.31Å; F237-L241 WeakPolarHBondContact O-CB 3.38Å; F237-L241 WeakPolarHBondContact O-CD1 3.49Å; F237-L241 WeakPolarHBondContact O-CG 3.43Å; F237-L241 PolarHBondContact O-N 2.82Å; K239-L241 PolarHBondContact O-N 2.61Å
242	A	96.2	Very high	90.7	Very high	52 Å²	52	54.1 Å²	54.1	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-92.8	-10.8	178.8	0	0	0	0	0	113.8	R238 K239 I240 D244 N398	R238-A242 PolarHBondContact O-N 2.86Å; K239-A242 PolarHBondContact O-N 3.49Å; I240-A242 PolarHBondContact O-N 2.99Å; A242-D244 HydrophobicContact CB-CB 4Å; A242-N398 PolarHBondContact O-ND2 3.25Å
243	G	95.9	Very high	91.7	Very high	6 Å²	6	56.8 Å²	56.8	6%	0.062	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	30.7	-165.4	0	0	0	0	0	112.7	K239 I240 Y245	K239-G243 PolarHBondContact O-N 3.28Å; I240-G243 PolarHBondContact O-N 3.39Å; I240-G243 VanDerWaalsContact O-N 3.13Å; G243-Y245 VanDerWaalsContact O-CD1 3.27Å; G243-Y245 WeakPolarHBondContact O-CD1 3.4Å; G243-Y245 PolarHBondContact O-N 2.95Å
244	D	94.9	Very high	92.5	Very high	52 Å²	52	56.4 Å²	56.4	28%	0.278	29%	0.289	S	S	.	.			trans	-81.2	78.5	-173.1	-164.9	18.7	0	0	0	110.1	R238 K239 A242	R238-D244 IonicContact CZ-OD2 2.78Å; R238-D244 IonicContact NH1-OD2 3.8Å; R238-D244 IonicContact NH2-OD2 2.74Å; R238-D244 PolarHBondContact NH2-OD2 3.43Å; K239-D244 HydrophobicContact CB-CB 3.98Å; K239-D244 HydrophobicContact CG-CB 4.11Å; K239-D244 PolarHBondContact O-N 2.85Å; A242-D244 HydrophobicContact CB-CB 4Å
245	Y	95.2	Very high	93.1	Very high	9 Å²	9	51 Å²	51	4%	0.035	27%	0.266	C	S	.	.			trans	-136.1	151.4	170.2	69.5	-81.5	0	0	0	109.9	Y211 P219 F220 G243 F247 A264 M267	Y211-Y245 HydrophobicContact CD2-CD2 4.29Å; Y211-Y245 HydrophobicContact CE2-CD2 4.1Å; P219-Y245 HydrophobicContact CB-CG 4.27Å; P219-Y245 WeakPolarHBondContact O-CB 3.42Å; F220-Y245 AromaticContact CE1-CD1 3.76Å; F220-Y245 HydrophobicContact CE1-CD1 3.76Å; F220-Y245 HydrophobicContact CE1-CG 4.24Å; F220-Y245 AromaticContact CZ-CD1 3.98Å; F220-Y245 HydrophobicContact CZ-CD1 3.98Å; G243-Y245 VanDerWaalsContact O-CD1 3.27Å; G243-Y245 WeakPolarHBondContact O-CD1 3.4Å; G243-Y245 PolarHBondContact O-N 2.95Å; Y245-F247 HydrophobicContact CE2-CE1 4.19Å; Y245-F247 HydrophobicContact CE2-CZ 4Å; Y245-A264 WeakPolarHBondContact OH-CA 3.43Å; Y245-M267 HydrophobicContact CD1-CE 3.82Å; Y245-M267 HydrophobicContact CD2-CE 4.44Å; Y245-M267 HydrophobicContact CE1-CB 4.07Å; Y245-M267 HydrophobicContact CE1-CE 3.91Å; Y245-M267 HydrophobicContact CG-CE 4.12Å
246	E	94.6	Very high	93.6	Very high	74 Å²	74	50 Å²	50	35%	0.346	26%	0.263	S	S	.	.			trans	-128.3	158.7	-178.2	-61.9	-167.6	168.6	0	0	110.4	Y211 D248	Y211-E246 PolarHBondContact OH-O 3.19Å; E246-D248 PolarHBondContact O-N 2.84Å
247	F	95.9	Very high	94.1	Very high	46 Å²	46	55.3 Å²	55.3	20%	0.202	29%	0.291	C	S	.	.			trans	-94	70.1	175.6	-66.2	-54.8	0	0	0	109.5	Y211 Y245 W252 K260 V263 C397	Y211-F247 HydrophobicContact CD2-CD1 4.46Å; Y211-F247 HydrophobicContact CD2-CE1 4.14Å; Y211-F247 HydrophobicContact CE2-CD1 4.01Å; Y211-F247 HydrophobicContact CE2-CE1 4.12Å; Y245-F247 HydrophobicContact CE2-CE1 4.19Å; Y245-F247 HydrophobicContact CE2-CZ 4Å; F247-W252 VanDerWaalsContact C-CD1 3.47Å; F247-W252 HydrophobicContact CB-CB 3.88Å; F247-W252 HydrophobicContact CB-CD2 4.13Å; F247-W252 HydrophobicContact CB-CG 3.8Å; F247-W252 AromaticContact CD1-CD2 3.52Å; F247-W252 HydrophobicContact CD1-CD2 3.52Å; F247-W252 AromaticContact CD1-CE2 3.64Å; F247-W252 AromaticContact CD1-CE3 3.61Å; F247-W252 HydrophobicContact CD1-CE3 3.61Å; F247-W252 HydrophobicContact CD1-CG 4.09Å; F247-W252 HydrophobicContact CD1-CH2 4.02Å; F247-W252 AromaticContact CD1-CZ2 3.93Å; F247-W252 HydrophobicContact CD1-CZ2 3.93Å; F247-W252 AromaticContact CD1-CZ3 3.85Å; F247-W252 HydrophobicContact CD1-CZ3 3.85Å; F247-W252 HydrophobicContact CE1-CD2 4.36Å; F247-W252 HydrophobicContact CE1-CE3 4.14Å; F247-W252 AromaticContact CE1-CH2 3.91Å; F247-W252 HydrophobicContact CE1-CH2 3.91Å; F247-W252 HydrophobicContact CE1-CZ2 4.13Å; F247-W252 AromaticContact CE1-CZ3 3.89Å; F247-W252 HydrophobicContact CE1-CZ3 3.89Å; F247-W252 HydrophobicContact CG-CD2 4.22Å; F247-W252 HydrophobicContact CG-CE3 4.33Å; F247-W252 HydrophobicContact CG-CG 4.41Å; F247-W252 WeakPolarHBondContact O-CB 3.48Å; F247-K260 HydrophobicContact CD1-CG 4.25Å; F247-K260 HydrophobicContact CD2-CB 4.1Å; F247-K260 HydrophobicContact CD2-CD 4.27Å; F247-K260 HydrophobicContact CD2-CG 4.09Å; F247-K260 HydrophobicContact CE1-CB 4.41Å; F247-K260 HydrophobicContact CE1-CG 4.34Å; F247-K260 HydrophobicContact CE2-CB 3.75Å; F247-K260 HydrophobicContact CE2-CG 4.19Å; F247-K260 HydrophobicContact CG-CD 4.36Å; F247-K260 HydrophobicContact CG-CG 4.13Å; F247-K260 HydrophobicContact CZ-CB 3.92Å; F247-K260 HydrophobicContact CZ-CG 4.31Å; F247-K260 WeakPolarHBondContact CZ-O 3.39Å; F247-V263 HydrophobicContact CE1-CB 4.24Å; F247-V263 HydrophobicContact CE1-CG1 3.97Å; F247-V263 HydrophobicContact CZ-CB 4.18Å; F247-V263 HydrophobicContact CZ-CG1 4.12Å; F247-C397 VanDerWaalsContact CD2-SG 3.59Å; F247-C397 VanDerWaalsContact CE2-SG 3.59Å
248	D	90.7	Very high	94.4	Very high	74 Å²	74	52.9 Å²	52.9	40%	0.396	28%	0.282	S	S	.	.			trans	-61.7	137.2	-167.9	-62.7	-41.9	0	0	0	115.2	E246 Y251 W252	E246-D248 PolarHBondContact O-N 2.84Å; D248-Y251 HydrophobicContact CB-CD2 4.16Å; D248-Y251 PolarHBondContact O-N 3.04Å; D248-W252 PolarHBondContact O-N 3Å
249	S	89.4	Confident	94.6	Very high	82 Å²	82	46.4 Å²	46.4	57%	0.573	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	141.8	164.5	178.6	0	0	0	0	110.3	D253	S249-D253 VanDerWaalsContact CA-OD1 3.29Å; S249-D253 WeakPolarHBondContact CA-OD1 3.13Å; S249-D253 WeakPolarHBondContact CB-OD1 3.5Å; S249-D253 PolarHBondContact OG-OD1 3.39Å; S249-D253 PolarHBondContact OG-OD2 2.91Å
250	P	89.6	Confident	94.8	Very high	75 Å²	75	46.6 Å²	46.6	49%	0.487	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.7	2.1	2.9	36.2	-36.6	0	0	0	114.2	W252 D253	P250-W252 PolarHBondContact O-N 3.07Å; P250-D253 WeakPolarHBondContact CA-OD2 3.23Å
251	Y	88	Confident	95	Very high	47 Å²	47	50.2 Å²	50.2	18%	0.184	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-31.5	-166.2	-45.2	-52.5	0	0	0	113.3	N217 D248 Q303	N217-Y251 VanDerWaalsContact ND2-CD2 3.28Å; N217-Y251 WeakPolarHBondContact ND2-CD2 3.48Å; D248-Y251 HydrophobicContact CB-CD2 4.16Å; D248-Y251 PolarHBondContact O-N 3.04Å; Y251-Q303 HydrophobicContact CD1-CG 3.67Å; Y251-Q303 HydrophobicContact CE1-CG 3.58Å; Y251-Q303 VanDerWaalsContact CE1-NE2 3.29Å; Y251-Q303 HydrophobicContact CG-CG 4.47Å
252	W	94.9	Very high	95.1	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	26%	0.258	C	S	.	.	S	Bend	trans	-105.6	-0.8	-178.2	-72.7	93.4	0	0	0	114.6	Y211 L214 F247 D248 P250 E254 I255 K260 V263	Y211-W252 HydrophobicContact CD1-CZ2 4.04Å; Y211-W252 AromaticContact CD2-CH2 3.99Å; Y211-W252 HydrophobicContact CD2-CH2 3.99Å; Y211-W252 AromaticContact CD2-CZ2 3.32Å; Y211-W252 HydrophobicContact CD2-CZ2 3.32Å; Y211-W252 HydrophobicContact CE1-CZ2 4.09Å; Y211-W252 AromaticContact CE2-CE2 3.64Å; Y211-W252 HydrophobicContact CE2-CH2 4.35Å; Y211-W252 AromaticContact CE2-CZ2 3.37Å; Y211-W252 HydrophobicContact CE2-CZ2 3.37Å; Y211-W252 AromaticContact CE2-NE1 3.56Å; Y211-W252 HydrophobicContact CG-CH2 4.32Å; Y211-W252 AromaticContact CG-CZ2 3.64Å; Y211-W252 HydrophobicContact CG-CZ2 3.64Å; Y211-W252 AromaticContact CZ-CE2 3.79Å; Y211-W252 AromaticContact CZ-CZ2 3.75Å; Y211-W252 AromaticContact CZ-NE1 3.3Å; Y211-W252 VanDerWaalsContact CZ-NE1 3.3Å; Y211-W252 PolarHBondContact OH-NE1 3.18Å; Y211-W252 VanDerWaalsContact OH-NE1 3.08Å; L214-W252 HydrophobicContact CB-CH2 3.79Å; L214-W252 HydrophobicContact CB-CZ2 4.38Å; L214-W252 HydrophobicContact CB-CZ3 4.13Å; L214-W252 HydrophobicContact CD1-CH2 3.91Å; L214-W252 HydrophobicContact CD1-CZ3 3.92Å; L214-W252 HydrophobicContact CG-CH2 4.5Å; F247-W252 VanDerWaalsContact C-CD1 3.47Å; F247-W252 HydrophobicContact CB-CB 3.88Å; F247-W252 HydrophobicContact CB-CD2 4.13Å; F247-W252 HydrophobicContact CB-CG 3.8Å; F247-W252 AromaticContact CD1-CD2 3.52Å; F247-W252 HydrophobicContact CD1-CD2 3.52Å; F247-W252 AromaticContact CD1-CE2 3.64Å; F247-W252 AromaticContact CD1-CE3 3.61Å; F247-W252 HydrophobicContact CD1-CE3 3.61Å; F247-W252 HydrophobicContact CD1-CG 4.09Å; F247-W252 HydrophobicContact CD1-CH2 4.02Å; F247-W252 AromaticContact CD1-CZ2 3.93Å; F247-W252 HydrophobicContact CD1-CZ2 3.93Å; F247-W252 AromaticContact CD1-CZ3 3.85Å; F247-W252 HydrophobicContact CD1-CZ3 3.85Å; F247-W252 HydrophobicContact CE1-CD2 4.36Å; F247-W252 HydrophobicContact CE1-CE3 4.14Å; F247-W252 AromaticContact CE1-CH2 3.91Å; F247-W252 HydrophobicContact CE1-CH2 3.91Å; F247-W252 HydrophobicContact CE1-CZ2 4.13Å; F247-W252 AromaticContact CE1-CZ3 3.89Å; F247-W252 HydrophobicContact CE1-CZ3 3.89Å; F247-W252 HydrophobicContact CG-CD2 4.22Å; F247-W252 HydrophobicContact CG-CE3 4.33Å; F247-W252 HydrophobicContact CG-CG 4.41Å; F247-W252 WeakPolarHBondContact O-CB 3.48Å; D248-W252 PolarHBondContact O-N 3Å; P250-W252 PolarHBondContact O-N 3.07Å; W252-E254 VanDerWaalsContact C-N 3.25Å; W252-E254 PolarHBondContact O-N 2.84Å; W252-I255 HydrophobicContact CE3-CB 3.78Å; W252-I255 HydrophobicContact CE3-CG1 4.03Å; W252-I255 HydrophobicContact CE3-CG2 3.63Å; W252-I255 HydrophobicContact CZ3-CB 4.31Å; W252-I255 HydrophobicContact CZ3-CG2 3.66Å; W252-I255 PolarHBondContact O-N 3.12Å; W252-K260 HydrophobicContact CE3-CG 3.8Å; W252-K260 HydrophobicContact CZ3-CG 4.05Å; W252-K260 WeakPolarHBondContact O-CE 3.3Å; W252-K260 PolarHBondContact O-NZ 2.86Å; W252-V263 HydrophobicContact CH2-CG2 4.24Å
253	D	93.2	Very high	95.2	Very high	100 Å²	100	44 Å²	44	54%	0.535	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-32.7	-177.9	-66.7	0.9	0	0	0	112	S249 P250	S249-D253 VanDerWaalsContact CA-OD1 3.29Å; S249-D253 WeakPolarHBondContact CA-OD1 3.13Å; S249-D253 WeakPolarHBondContact CB-OD1 3.5Å; S249-D253 PolarHBondContact OG-OD1 3.39Å; S249-D253 PolarHBondContact OG-OD2 2.91Å; P250-D253 WeakPolarHBondContact CA-OD2 3.23Å
254	E	92.8	Very high	95.4	Very high	72 Å²	72	44.7 Å²	44.7	34%	0.336	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-2.7	-179.5	-50.6	-153.1	130.3	0	0	114.2	W252 K294	W252-E254 VanDerWaalsContact C-N 3.25Å; W252-E254 PolarHBondContact O-N 2.84Å; E254-K294 VanDerWaalsContact CD-CE 3.44Å; E254-K294 WeakPolarHBondContact OE1-CE 3.17Å; E254-K294 IonicContact OE1-NZ 3.15Å; E254-K294 PolarHBondContact OE1-NZ 2.81Å; E254-K294 WeakPolarHBondContact OE2-CE 3.28Å; E254-K294 IonicContact OE2-NZ 3.7Å; E254-K294 PolarHBondContact OE2-NZ 2.8Å
255	I	96.9	Very high	95.5	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.036	25%	0.251	C	S	.	.	S	Bend	trans	-94	132.1	-175.8	-55.3	-61	0	0	0	110.2	E119 L214 W252 A259 K260 I296	E119-I255 HydrophobicContact CG-CD1 4.42Å; E119-I255 WeakPolarHBondContact OE1-CA 3.41Å; L214-I255 HydrophobicContact CB-CD1 4.43Å; L214-I255 HydrophobicContact CD1-CG2 4.23Å; W252-I255 HydrophobicContact CE3-CB 3.78Å; W252-I255 HydrophobicContact CE3-CG1 4.03Å; W252-I255 HydrophobicContact CE3-CG2 3.63Å; W252-I255 HydrophobicContact CZ3-CB 4.31Å; W252-I255 HydrophobicContact CZ3-CG2 3.66Å; W252-I255 PolarHBondContact O-N 3.12Å; I255-A259 HydrophobicContact CG2-CB 3.73Å; I255-K260 WeakPolarHBondContact O-CE 3.31Å; I255-K260 PolarHBondContact O-NZ 3.29Å; I255-I296 HydrophobicContact CD1-CD1 3.67Å; I255-I296 HydrophobicContact CD1-CG2 4.1Å
256	S	97.8	Very high	95.7	Very high	29 Å²	29	47.3 Å²	47.3	20%	0.203	25%	0.249	C	C	.	.			trans	-62.2	146.9	-176.3	72.9	0	0	0	0	113.7	E119 S258 A259 K260	E119-S256 PolarHBondContact OE1-N 3.21Å; E119-S256 PolarHBondContact OE1-OG 2.86Å; E119-S256 WeakPolarHBondContact OE2-CB 3.42Å; E119-S256 PolarHBondContact OE2-OG 2.55Å; S256-S258 PolarHBondContact O-N 3.41Å; S256-A259 VanDerWaalsContact O-CB 3.3Å; S256-A259 WeakPolarHBondContact O-CB 3.2Å; S256-A259 PolarHBondContact O-N 3.32Å; S256-A259 PolarHBondContact OG-N 2.81Å; S256-K260 PolarHBondContact O-N 3.4Å; S256-K260 VanDerWaalsContact O-N 3.11Å
257	D	98.1	Very high	95.9	Very high	123 Å²	123	43.8 Å²	43.8	66%	0.658	23%	0.233	S	C	*	.	H	α-helix	trans	-64.8	-26.2	177.4	-57.3	-40.3	0	0	0	112.3	A259 K260 N261	D257-A259 VanDerWaalsContact C-N 3.35Å; D257-K260 PolarHBondContact O-N 3.39Å; D257-K260 IonicContact OD1-NZ 2.8Å; D257-N261 VanDerWaalsContact O-CB 3.31Å; D257-N261 WeakPolarHBondContact O-CB 3.44Å; D257-N261 PolarHBondContact O-N 3.34Å
258	S	98.4	Very high	96	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-36.5	171.6	-168.6	0	0	0	0	112.2	S256 L262 H283 E284 A290	S256-S258 PolarHBondContact O-N 3.41Å; S258-L262 PolarHBondContact O-N 3.34Å; S258-H283 PolarHBondContact O-CE1 3.44Å; S258-E284 VanDerWaalsContact CB-OE1 3.23Å; S258-E284 WeakPolarHBondContact CB-OE1 3.4Å; S258-E284 VanDerWaalsContact OG-CD 3.28Å; S258-E284 WeakPolarHBondContact OG-CG 3.49Å; S258-E284 PolarHBondContact OG-OE1 3.4Å; S258-A290 WeakPolarHBondContact OG-CB 3.5Å
259	A	98.6	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.9	-48.2	172.9	0	0	0	0	0	111.1	M210 L214 I255 S256 D257 N261 L262 V263 W285	M210-A259 HydrophobicContact CE-CB 4.07Å; M210-A259 WeakPolarHBondContact CE-O 3.31Å; L214-A259 HydrophobicContact CD1-CB 3.89Å; I255-A259 HydrophobicContact CG2-CB 3.73Å; S256-A259 VanDerWaalsContact O-CB 3.3Å; S256-A259 WeakPolarHBondContact O-CB 3.2Å; S256-A259 PolarHBondContact O-N 3.32Å; S256-A259 PolarHBondContact OG-N 2.81Å; D257-A259 VanDerWaalsContact C-N 3.35Å; A259-N261 VanDerWaalsContact C-N 3.31Å; A259-N261 PolarHBondContact O-N 2.86Å; A259-L262 PolarHBondContact O-N 3.08Å; A259-V263 WeakPolarHBondContact O-CG2 3.47Å; A259-V263 PolarHBondContact O-N 3.43Å; A259-W285 HydrophobicContact CB-CD2 4.27Å; A259-W285 HydrophobicContact CB-CG 4.29Å; A259-W285 HydrophobicContact CB-CZ2 4.13Å
260	K	98.6	Very high	96.8	Very high	37 Å²	37	42.4 Å²	42.4	16%	0.161	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-43.2	177.5	-67	169.9	-174	158.7	0	111.3	F247 W252 I255 S256 D257 V263 A264	F247-K260 HydrophobicContact CD1-CG 4.25Å; F247-K260 HydrophobicContact CD2-CB 4.1Å; F247-K260 HydrophobicContact CD2-CD 4.27Å; F247-K260 HydrophobicContact CD2-CG 4.09Å; F247-K260 HydrophobicContact CE1-CB 4.41Å; F247-K260 HydrophobicContact CE1-CG 4.34Å; F247-K260 HydrophobicContact CE2-CB 3.75Å; F247-K260 HydrophobicContact CE2-CG 4.19Å; F247-K260 HydrophobicContact CG-CD 4.36Å; F247-K260 HydrophobicContact CG-CG 4.13Å; F247-K260 HydrophobicContact CZ-CB 3.92Å; F247-K260 HydrophobicContact CZ-CG 4.31Å; F247-K260 WeakPolarHBondContact CZ-O 3.39Å; W252-K260 HydrophobicContact CE3-CG 3.8Å; W252-K260 HydrophobicContact CZ3-CG 4.05Å; W252-K260 WeakPolarHBondContact O-CE 3.3Å; W252-K260 PolarHBondContact O-NZ 2.86Å; I255-K260 WeakPolarHBondContact O-CE 3.31Å; I255-K260 PolarHBondContact O-NZ 3.29Å; S256-K260 PolarHBondContact O-N 3.4Å; S256-K260 VanDerWaalsContact O-N 3.11Å; D257-K260 PolarHBondContact O-N 3.39Å; D257-K260 IonicContact OD1-NZ 2.8Å; K260-V263 PolarHBondContact O-N 3.41Å; K260-A264 WeakPolarHBondContact O-CB 3.49Å; K260-A264 PolarHBondContact O-N 2.82Å
261	N	98.7	Very high	97.1	Very high	77 Å²	77	40.7 Å²	40.7	41%	0.412	21%	0.206	S	C	.	.	H	α-helix	trans	-60.7	-45.9	176.3	-169.5	-90.9	0	0	0	112.1	D257 A259 A264 R265 H283	D257-N261 VanDerWaalsContact O-CB 3.31Å; D257-N261 WeakPolarHBondContact O-CB 3.44Å; D257-N261 PolarHBondContact O-N 3.34Å; A259-N261 VanDerWaalsContact C-N 3.31Å; A259-N261 PolarHBondContact O-N 2.86Å; N261-A264 PolarHBondContact O-N 3.4Å; N261-R265 WeakPolarHBondContact O-CB 3.38Å; N261-R265 WeakPolarHBondContact O-CG 3.36Å; N261-R265 PolarHBondContact O-N 3.01Å; N261-R265 WeakPolarHBondContact OD1-CD 3.39Å; N261-H283 PolarHBondContact OD1-NE2 2.86Å
262	L	98.8	Very high	97.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-41.4	178.1	-177.8	56.1	0	0	0	112.3	M210 S258 A259 A264 R265 L266 L275 A280 H283 W285 I286	M210-L262 HydrophobicContact CE-CB 4.05Å; M210-L262 HydrophobicContact CE-CD2 4.04Å; M210-L262 HydrophobicContact CE-CG 4.24Å; M210-L262 HydrophobicContact SD-CB 4.36Å; M210-L262 HydrophobicContact SD-CD2 3.92Å; M210-L262 HydrophobicContact SD-CG 3.98Å; S258-L262 PolarHBondContact O-N 3.34Å; A259-L262 PolarHBondContact O-N 3.08Å; L262-A264 VanDerWaalsContact C-N 3.34Å; L262-R265 PolarHBondContact O-N 2.87Å; L262-L266 HydrophobicContact CD1-CD1 3.96Å; L262-L266 HydrophobicContact CD1-CG 4.06Å; L262-L266 HydrophobicContact CG-CD1 3.95Å; L262-L266 HydrophobicContact CG-CG 4.48Å; L262-L266 WeakPolarHBondContact O-CB 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.17Å; L262-L266 PolarHBondContact O-N 3.17Å; L262-L275 HydrophobicContact CD1-CD1 3.79Å; L262-A280 HydrophobicContact CD1-CB 4.14Å; L262-H283 HydrophobicContact CD1-CB 3.93Å; L262-H283 HydrophobicContact CD2-CB 4.23Å; L262-W285 HydrophobicContact CD2-CB 4.33Å; L262-W285 HydrophobicContact CD2-CE3 3.79Å; L262-I286 HydrophobicContact CD2-CD1 3.95Å; L262-I286 HydrophobicContact CD2-CG1 3.55Å
263	V	98.8	Very high	97.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-49.8	173.6	173.1	0	0	0	0	109.9	M210 Y211 L214 F247 W252 A259 K260 R265 L266 M267	M210-V263 HydrophobicContact CB-CG2 4.15Å; M210-V263 HydrophobicContact CE-CG2 3.81Å; M210-V263 HydrophobicContact CG-CG2 3.66Å; M210-V263 HydrophobicContact SD-CG2 3.74Å; Y211-V263 HydrophobicContact CD2-CG1 4.09Å; L214-V263 HydrophobicContact CD1-CG2 4.28Å; F247-V263 HydrophobicContact CE1-CB 4.24Å; F247-V263 HydrophobicContact CE1-CG1 3.97Å; F247-V263 HydrophobicContact CZ-CB 4.18Å; F247-V263 HydrophobicContact CZ-CG1 4.12Å; W252-V263 HydrophobicContact CH2-CG2 4.24Å; A259-V263 WeakPolarHBondContact O-CG2 3.47Å; A259-V263 PolarHBondContact O-N 3.43Å; K260-V263 PolarHBondContact O-N 3.41Å; V263-R265 PolarHBondContact O-N 3.1Å; V263-L266 PolarHBondContact O-N 2.89Å; V263-M267 HydrophobicContact CG1-CG 4.4Å; V263-M267 HydrophobicContact CG1-SD 3.8Å; V263-M267 WeakPolarHBondContact O-CB 3.48Å; V263-M267 WeakPolarHBondContact O-CG 3.49Å; V263-M267 PolarHBondContact O-N 2.68Å
264	A	98.7	Very high	98	Very high	22 Å²	22	47 Å²	47	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-44.6	-178.9	0	0	0	0	0	112.6	Y245 K260 N261 L262 L266 M267 E268	Y245-A264 WeakPolarHBondContact OH-CA 3.43Å; K260-A264 WeakPolarHBondContact O-CB 3.49Å; K260-A264 PolarHBondContact O-N 2.82Å; N261-A264 PolarHBondContact O-N 3.4Å; L262-A264 VanDerWaalsContact C-N 3.34Å; A264-L266 VanDerWaalsContact C-N 3.33Å; A264-L266 PolarHBondContact O-N 3.19Å; A264-M267 CarbonylContact O-C 3.58Å; A264-M267 PolarHBondContact O-N 3.11Å; A264-E268 PolarHBondContact O-N 3.3Å
265	R	98.7	Very high	98.2	Very high	115 Å²	115	43.9 Å²	43.9	43%	0.434	22%	0.224	S	C	.	.	H	α-helix	trans	-72.6	-21.8	179.1	-66.6	-171.8	70.1	-161.8	-0.8	114.5	N261 L262 V263 L275	N261-R265 WeakPolarHBondContact O-CB 3.38Å; N261-R265 WeakPolarHBondContact O-CG 3.36Å; N261-R265 PolarHBondContact O-N 3.01Å; N261-R265 WeakPolarHBondContact OD1-CD 3.39Å; L262-R265 PolarHBondContact O-N 2.87Å; V263-R265 PolarHBondContact O-N 3.1Å; R265-L275 HydrophobicContact CB-CD1 3.44Å; R265-L275 VanDerWaalsContact CB-CD1 3.44Å; R265-L275 HydrophobicContact CB-CG 3.85Å; R265-L275 HydrophobicContact CG-CD1 4.44Å; R265-L275 PolarHBondContact O-N 2.87Å
266	L	98.8	Very high	98.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-82	-32.4	169	-74.6	171.1	0	0	0	112	C203 W204 I206 L262 V263 A264 E268 R274 L275 A280	C203-L266 HydrophobicContact CB-CD2 4.05Å; W204-L266 VanDerWaalsContact CA-O 3.31Å; W204-L266 WeakPolarHBondContact CA-O 3.48Å; I206-L266 HydrophobicContact CG2-CD1 4.18Å; L262-L266 HydrophobicContact CD1-CD1 3.96Å; L262-L266 HydrophobicContact CD1-CG 4.06Å; L262-L266 HydrophobicContact CG-CD1 3.95Å; L262-L266 HydrophobicContact CG-CG 4.48Å; L262-L266 WeakPolarHBondContact O-CB 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.17Å; L262-L266 PolarHBondContact O-N 3.17Å; V263-L266 PolarHBondContact O-N 2.89Å; A264-L266 VanDerWaalsContact C-N 3.33Å; A264-L266 PolarHBondContact O-N 3.19Å; L266-E268 VanDerWaalsContact C-N 3.34Å; L266-R274 VanDerWaalsContact O-CD 3.22Å; L266-R274 WeakPolarHBondContact O-CD 3.41Å; L266-R274 VanDerWaalsContact O-CG 3.3Å; L266-R274 WeakPolarHBondContact O-CG 3.28Å; L266-L275 HydrophobicContact CD2-CB 4.22Å; L266-A280 HydrophobicContact CD2-CB 3.97Å
267	M	98.6	Very high	98.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-98.2	31.1	177.1	-62.9	-175.9	53.9	0	0	112.7	W204 G207 V208 P219 F220 Y245 V263 A264	W204-M267 HydrophobicContact CE3-CB 4.2Å; W204-M267 HydrophobicContact CZ2-CE 4.42Å; W204-M267 VanDerWaalsContact CZ3-C 3.46Å; W204-M267 HydrophobicContact CZ3-CB 4.16Å; W204-M267 WeakPolarHBondContact CZ3-O 3.3Å; G207-M267 VanDerWaalsContact C-SD 3.52Å; V208-M267 HydrophobicContact CG2-CE 3.95Å; V208-M267 HydrophobicContact CG2-SD 4.05Å; P219-M267 HydrophobicContact CB-CE 3.85Å; P219-M267 HydrophobicContact CG-CE 3.81Å; P219-M267 HydrophobicContact CG-SD 4.44Å; F220-M267 HydrophobicContact CE1-CE 4.38Å; F220-M267 HydrophobicContact CE2-CE 3.59Å; F220-M267 HydrophobicContact CZ-CE 3.38Å; Y245-M267 HydrophobicContact CD1-CE 3.82Å; Y245-M267 HydrophobicContact CD2-CE 4.44Å; Y245-M267 HydrophobicContact CE1-CB 4.07Å; Y245-M267 HydrophobicContact CE1-CE 3.91Å; Y245-M267 HydrophobicContact CG-CE 4.12Å; V263-M267 HydrophobicContact CG1-CG 4.4Å; V263-M267 HydrophobicContact CG1-SD 3.8Å; V263-M267 WeakPolarHBondContact O-CB 3.48Å; V263-M267 WeakPolarHBondContact O-CG 3.49Å; V263-M267 PolarHBondContact O-N 2.68Å; A264-M267 CarbonylContact O-C 3.58Å; A264-M267 PolarHBondContact O-N 3.11Å
268	E	98.6	Very high	98.4	Very high	58 Å²	58	44.6 Å²	44.6	27%	0.271	22%	0.224	S	C	.	.			trans	-68.7	133.4	171	175.6	49.8	-105.4	0	0	109.4	A264 L266 D270 Q273 R274	A264-E268 PolarHBondContact O-N 3.3Å; L266-E268 VanDerWaalsContact C-N 3.34Å; E268-D270 HydrophobicContact CG-CB 4.5Å; E268-D270 PolarHBondContact OE1-N 2.87Å; E268-Q273 HydrophobicContact CG-CB 3.88Å; E268-R274 HydrophobicContact CB-CB 4Å; E268-R274 HydrophobicContact CB-CG 4.19Å; E268-R274 HydrophobicContact CG-CB 4.41Å; E268-R274 VanDerWaalsContact O-CZ 3.28Å; E268-R274 PolarHBondContact O-NE 3.41Å; E268-R274 PolarHBondContact O-NH2 3.4Å
269	V	98.4	Very high	98.4	Very high	40 Å²	40	48.8 Å²	48.8	24%	0.242	24%	0.242	C	C	.	.	S	Bend	trans	-70.9	-40.9	-176.8	177.8	0	0	0	0	110.4	P189 W204 Q271 R274	P189-V269 HydrophobicContact CB-CG1 4.11Å; P189-V269 HydrophobicContact CG-CG1 4.13Å; W204-V269 HydrophobicContact CZ3-CG2 4.45Å; V269-Q271 PolarHBondContact O-N 3.23Å; V269-R274 PolarHBondContact O-NH2 3.18Å
270	D	97.8	Very high	98.4	Very high	76 Å²	76	48.8 Å²	48.8	41%	0.406	24%	0.242	S	C	.	.	S	Bend	trans	-72.8	110	173.4	-172	-9	0	0	0	110.9	E268 D272 Q273 R274	E268-D270 HydrophobicContact CG-CB 4.5Å; E268-D270 PolarHBondContact OE1-N 2.87Å; D270-D272 PolarHBondContact O-N 2.82Å; D270-D272 VanDerWaalsContact O-N 3.11Å; D270-D272 PolarHBondContact OD1-N 3.49Å; D270-Q273 HydrophobicContact CB-CB 4.19Å; D270-Q273 HydrophobicContact CB-CG 4.06Å; D270-Q273 PolarHBondContact O-N 3.26Å; D270-R274 PolarHBondContact O-N 3.43Å
271	Q	96.8	Very high	98.4	Very high	38 Å²	38	48 Å²	48	18%	0.178	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.6	179.8	74.9	-179.9	-49.2	0	0	113.7	R196 P200 V269	R196-Q271 PolarHBondContact O-NE2 3.32Å; P200-Q271 HydrophobicContact CB-CB 4.03Å; P200-Q271 HydrophobicContact CG-CB 4.39Å; P200-Q271 WeakPolarHBondContact CG-O 3.38Å; V269-Q271 PolarHBondContact O-N 3.23Å
272	D	96.6	Very high	98.3	Very high	136 Å²	136	49.8 Å²	49.8	73%	0.727	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-17.8	178.4	-68.1	-27.2	0	0	0	112.7	D270	D270-D272 PolarHBondContact O-N 2.82Å; D270-D272 VanDerWaalsContact O-N 3.11Å; D270-D272 PolarHBondContact OD1-N 3.49Å
273	Q	98.2	Very high	98.3	Very high	136 Å²	136	50.7 Å²	50.7	64%	0.636	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-19	171.4	-59	-52.9	-52.7	0	0	113.4	E268 D270	E268-Q273 HydrophobicContact CG-CB 3.88Å; D270-Q273 HydrophobicContact CB-CB 4.19Å; D270-Q273 HydrophobicContact CB-CG 4.06Å; D270-Q273 PolarHBondContact O-N 3.26Å
274	R	98.6	Very high	98.3	Very high	10 Å²	10	55.7 Å²	55.7	4%	0.038	28%	0.277	C	S	.	.	S	Bend	trans	-60.7	134.9	-179	-167.7	-176.8	-59.6	148.4	9.2	112.1	E190 P200 L266 E268 V269 D270 T276	E190-R274 IonicContact OE1-CZ 3.24Å; E190-R274 IonicContact OE1-NH1 2.94Å; E190-R274 PolarHBondContact OE1-NH1 2.92Å; E190-R274 IonicContact OE1-NH2 3.73Å; E190-R274 IonicContact OE2-CZ 2.79Å; E190-R274 IonicContact OE2-NH1 2.93Å; E190-R274 PolarHBondContact OE2-NH1 3.4Å; E190-R274 IonicContact OE2-NH2 3.79Å; E190-R274 PolarHBondContact OE2-NH2 3.42Å; P200-R274 VanDerWaalsContact C-NH1 3.32Å; P200-R274 WeakPolarHBondContact O-CD 3.31Å; P200-R274 PolarHBondContact O-NH1 3.24Å; L266-R274 VanDerWaalsContact O-CD 3.22Å; L266-R274 WeakPolarHBondContact O-CD 3.41Å; L266-R274 VanDerWaalsContact O-CG 3.3Å; L266-R274 WeakPolarHBondContact O-CG 3.28Å; E268-R274 HydrophobicContact CB-CB 4Å; E268-R274 HydrophobicContact CB-CG 4.19Å; E268-R274 HydrophobicContact CG-CB 4.41Å; E268-R274 VanDerWaalsContact O-CZ 3.28Å; E268-R274 PolarHBondContact O-NE 3.41Å; E268-R274 PolarHBondContact O-NH2 3.4Å; V269-R274 PolarHBondContact O-NH2 3.18Å; D270-R274 PolarHBondContact O-N 3.43Å; R274-T276 PolarHBondContact O-N 3.02Å
275	L	98.4	Very high	98.3	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-54.3	130.5	176.9	-90.2	174.9	0	0	0	111.6	C203 L262 R265 L266 E279 A280	C203-L275 WeakPolarHBondContact CB-O 3.28Å; C203-L275 PolarHBondContact SG-O 3.03Å; L262-L275 HydrophobicContact CD1-CD1 3.79Å; R265-L275 HydrophobicContact CB-CD1 3.44Å; R265-L275 VanDerWaalsContact CB-CD1 3.44Å; R265-L275 HydrophobicContact CB-CG 3.85Å; R265-L275 HydrophobicContact CG-CD1 4.44Å; R265-L275 PolarHBondContact O-N 2.87Å; L266-L275 HydrophobicContact CD2-CB 4.22Å; L275-E279 HydrophobicContact CD2-CB 3.47Å; L275-E279 VanDerWaalsContact CD2-CB 3.47Å; L275-A280 HydrophobicContact CD1-CB 4.4Å
276	T	98.8	Very high	98.2	Very high	65 Å²	65	49.9 Å²	49.9	40%	0.399	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-71.3	155.6	166	68.8	0	0	0	0	110.6	R274 Q278 E279 A280	R274-T276 PolarHBondContact O-N 3.02Å; T276-Q278 PolarHBondContact O-N 2.78Å; T276-Q278 VanDerWaalsContact O-N 3.16Å; T276-E279 VanDerWaalsContact CB-OE2 3.27Å; T276-E279 WeakPolarHBondContact CB-OE2 3.45Å; T276-E279 WeakPolarHBondContact CG2-OE2 3.29Å; T276-E279 PolarHBondContact N-OE2 3.08Å; T276-E279 PolarHBondContact O-N 3.25Å; T276-E279 VanDerWaalsContact O-N 3.13Å; T276-E279 VanDerWaalsContact OG1-CD 3.25Å; T276-E279 WeakPolarHBondContact OG1-CG 3.46Å; T276-E279 PolarHBondContact OG1-N 3.08Å; T276-E279 PolarHBondContact OG1-OE2 2.87Å; T276-A280 WeakPolarHBondContact O-CB 3.4Å; T276-A280 PolarHBondContact O-N 3.2Å
277	A	98.6	Very high	98	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-34.1	176.7	0	0	0	0	0	112.6	L130 V133 A134 C203 I281	L130-A277 HydrophobicContact CD2-CB 4.15Å; V133-A277 HydrophobicContact CB-CB 4.38Å; V133-A277 HydrophobicContact CG1-CB 4.02Å; A134-A277 HydrophobicContact CB-CB 4.03Å; C203-A277 PolarHBondContact SG-N 3.32Å; C203-A277 VanDerWaalsContact SG-N 3.39Å; A277-I281 VanDerWaalsContact O-CG1 3.3Å; A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 2.97Å
278	Q	98.4	Very high	97.4	Very high	107 Å²	107	56.2 Å²	56.2	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-71.3	-35.7	179.7	-175.6	57	83.4	0	0	113	A134 T276 N282	A134-Q278 HydrophobicContact CB-CB 4.49Å; T276-Q278 PolarHBondContact O-N 2.78Å; T276-Q278 VanDerWaalsContact O-N 3.16Å; Q278-N282 PolarHBondContact O-ND2 3.21Å
279	E	98.6	Very high	97	Very high	100 Å²	100	55.4 Å²	55.4	47%	0.467	31%	0.313	S	S	.	.	H	α-helix	trans	-74.8	-39.1	175.4	-66.3	159.6	133.1	0	0	111.1	L275 T276 I281 N282 H283	L275-E279 HydrophobicContact CD2-CB 3.47Å; L275-E279 VanDerWaalsContact CD2-CB 3.47Å; T276-E279 VanDerWaalsContact CB-OE2 3.27Å; T276-E279 WeakPolarHBondContact CB-OE2 3.45Å; T276-E279 WeakPolarHBondContact CG2-OE2 3.29Å; T276-E279 PolarHBondContact N-OE2 3.08Å; T276-E279 PolarHBondContact O-N 3.25Å; T276-E279 VanDerWaalsContact O-N 3.13Å; T276-E279 VanDerWaalsContact OG1-CD 3.25Å; T276-E279 WeakPolarHBondContact OG1-CG 3.46Å; T276-E279 PolarHBondContact OG1-N 3.08Å; T276-E279 PolarHBondContact OG1-OE2 2.87Å; E279-I281 VanDerWaalsContact C-N 3.3Å; E279-I281 PolarHBondContact O-N 3.12Å; E279-N282 WeakPolarHBondContact O-CA 3.26Å; E279-N282 WeakPolarHBondContact O-CB 3.3Å; E279-N282 PolarHBondContact O-N 3.19Å; E279-H283 PolarHBondContact O-N 3.42Å
280	A	98.7	Very high	96.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-32.6	176.9	0	0	0	0	0	113.2	L130 L262 L266 L275 T276 N282 H283 I286	L130-A280 HydrophobicContact CD1-CB 3.91Å; L130-A280 HydrophobicContact CD2-CB 3.76Å; L262-A280 HydrophobicContact CD1-CB 4.14Å; L266-A280 HydrophobicContact CD2-CB 3.97Å; L275-A280 HydrophobicContact CD1-CB 4.4Å; T276-A280 WeakPolarHBondContact O-CB 3.4Å; T276-A280 PolarHBondContact O-N 3.2Å; A280-N282 PolarHBondContact O-N 3.18Å; A280-H283 VanDerWaalsContact O-CB 3.23Å; A280-H283 WeakPolarHBondContact O-CB 3.45Å; A280-H283 PolarHBondContact O-N 2.78Å; A280-H283 VanDerWaalsContact O-N 3.14Å; A280-I286 WeakPolarHBondContact O-CG1 3.37Å
281	I	98.3	Very high	96.8	Very high	21 Å²	21	51.9 Å²	51.9	11%	0.108	30%	0.298	C	S	.	.	H	α-helix	trans	-58.3	-36.3	170.9	-68.6	163.5	0	0	0	111.4	L130 E131 A134 A277 E279 H283 I286 S287	L130-I281 HydrophobicContact CB-CD1 4.3Å; L130-I281 HydrophobicContact CB-CG1 3.66Å; E131-I281 HydrophobicContact CG-CD1 4.14Å; A134-I281 HydrophobicContact CB-CD1 3.92Å; A277-I281 VanDerWaalsContact O-CG1 3.3Å; A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 2.97Å; E279-I281 VanDerWaalsContact C-N 3.3Å; E279-I281 PolarHBondContact O-N 3.12Å; I281-H283 VanDerWaalsContact C-N 3.28Å; I281-H283 PolarHBondContact O-N 3.39Å; I281-I286 VanDerWaalsContact O-CG2 3.31Å; I281-I286 WeakPolarHBondContact O-CG2 3.33Å; I281-S287 WeakPolarHBondContact O-CB 3.31Å; I281-S287 PolarHBondContact O-OG 3.09Å
282	N	98.1	Very high	96.8	Very high	114 Å²	114	51.8 Å²	51.8	61%	0.61	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-1.6	-178.5	-61.7	-31.9	0	0	0	113.1	Q278 E279 A280	Q278-N282 PolarHBondContact O-ND2 3.21Å; E279-N282 WeakPolarHBondContact O-CA 3.26Å; E279-N282 WeakPolarHBondContact O-CB 3.3Å; E279-N282 PolarHBondContact O-N 3.19Å; A280-N282 PolarHBondContact O-N 3.18Å
283	H	98.6	Very high	96.7	Very high	20 Å²	20	49.6 Å²	49.6	9%	0.093	29%	0.29	C	S	.	.	S	Bend	trans	-62.9	143.9	178.1	-163.1	-95.8	0	0	0	111.5	S258 N261 L262 E279 A280 I281 W285 I286 S287	S258-H283 PolarHBondContact O-CE1 3.44Å; N261-H283 PolarHBondContact OD1-NE2 2.86Å; L262-H283 HydrophobicContact CD1-CB 3.93Å; L262-H283 HydrophobicContact CD2-CB 4.23Å; E279-H283 PolarHBondContact O-N 3.42Å; A280-H283 VanDerWaalsContact O-CB 3.23Å; A280-H283 WeakPolarHBondContact O-CB 3.45Å; A280-H283 PolarHBondContact O-N 2.78Å; A280-H283 VanDerWaalsContact O-N 3.14Å; I281-H283 VanDerWaalsContact C-N 3.28Å; I281-H283 PolarHBondContact O-N 3.39Å; H283-W285 PolarHBondContact ND1-N 2.83Å; H283-W285 PolarHBondContact O-N 2.97Å; H283-I286 WeakPolarHBondContact O-CA 3.44Å; H283-I286 PolarHBondContact O-N 2.83Å; H283-S287 PolarHBondContact O-N 3.18Å
284	E	97.6	Very high	96.5	Very high	105 Å²	105	47.5 Å²	47.5	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-32.9	-177.5	45	154.8	-144.6	0	0	113.7	S258 I286 G288 G289 A290	S258-E284 VanDerWaalsContact CB-OE1 3.23Å; S258-E284 WeakPolarHBondContact CB-OE1 3.4Å; S258-E284 VanDerWaalsContact OG-CD 3.28Å; S258-E284 WeakPolarHBondContact OG-CG 3.49Å; S258-E284 PolarHBondContact OG-OE1 3.4Å; E284-I286 VanDerWaalsContact C-N 3.28Å; E284-I286 PolarHBondContact O-N 3.46Å; E284-G288 CarbonylContact O-C 3.21Å; E284-G288 VanDerWaalsContact O-C 3.23Å; E284-G288 WeakPolarHBondContact O-CA 3.36Å; E284-G288 PolarHBondContact O-N 2.87Å; E284-G289 PolarHBondContact O-N 3.25Å; E284-G289 VanDerWaalsContact O-N 3.12Å; E284-A290 HydrophobicContact CB-CB 4.32Å; E284-A290 PolarHBondContact O-N 2.87Å
285	W	98.4	Very high	96.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-27.2	173.2	-164.4	80.9	0	0	0	114.1	E119 T122 S123 M210 L214 A259 L262 H283 A291	E119-W285 HydrophobicContact CB-CZ2 3.81Å; E119-W285 HydrophobicContact CG-CZ2 4.2Å; E119-W285 WeakPolarHBondContact O-CZ2 3.34Å; E119-W285 PolarHBondContact OE2-NE1 3.06Å; T122-W285 HydrophobicContact CG2-CH2 3.89Å; S123-W285 VanDerWaalsContact CA-CZ3 3.41Å; S123-W285 PolarHBondContact OG-O 2.77Å; M210-W285 HydrophobicContact CE-CD2 3.72Å; M210-W285 HydrophobicContact CE-CE3 3.41Å; M210-W285 VanDerWaalsContact CE-CE3 3.41Å; M210-W285 HydrophobicContact CE-CH2 3.55Å; M210-W285 HydrophobicContact CE-CZ2 3.89Å; M210-W285 HydrophobicContact CE-CZ3 3.3Å; M210-W285 HydrophobicContact SD-CE3 4.29Å; M210-W285 HydrophobicContact SD-CH2 4.42Å; M210-W285 HydrophobicContact SD-CZ3 3.91Å; L214-W285 HydrophobicContact CD1-CZ2 4.4Å; L214-W285 HydrophobicContact CD2-CH2 4.31Å; L214-W285 HydrophobicContact CD2-CZ2 3.96Å; A259-W285 HydrophobicContact CB-CD2 4.27Å; A259-W285 HydrophobicContact CB-CG 4.29Å; A259-W285 HydrophobicContact CB-CZ2 4.13Å; L262-W285 HydrophobicContact CD2-CB 4.33Å; L262-W285 HydrophobicContact CD2-CE3 3.79Å; H283-W285 PolarHBondContact ND1-N 2.83Å; H283-W285 PolarHBondContact O-N 2.97Å; W285-A291 HydrophobicContact CD2-CB 4.05Å; W285-A291 HydrophobicContact CG-CB 4.15Å; W285-A291 HydrophobicContact CZ2-CB 4.13Å; W285-A291 WeakPolarHBondContact O-CB 3.4Å
286	I	98.2	Very high	95.9	Very high	14 Å²	14	50.6 Å²	50.6	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-92.4	-47.6	179	-63.6	-67.3	0	0	0	111.7	V126 R127 L130 L262 A280 I281 H283 E284	V126-I286 HydrophobicContact CB-CD1 4.15Å; V126-I286 HydrophobicContact CG1-CD1 3.88Å; R127-I286 HydrophobicContact CB-CG2 3.75Å; R127-I286 HydrophobicContact CG-CG2 3.61Å; L130-I286 HydrophobicContact CD1-CD1 4.13Å; L130-I286 HydrophobicContact CD1-CG1 4.17Å; L262-I286 HydrophobicContact CD2-CD1 3.95Å; L262-I286 HydrophobicContact CD2-CG1 3.55Å; A280-I286 WeakPolarHBondContact O-CG1 3.37Å; I281-I286 VanDerWaalsContact O-CG2 3.31Å; I281-I286 WeakPolarHBondContact O-CG2 3.33Å; H283-I286 WeakPolarHBondContact O-CA 3.44Å; H283-I286 PolarHBondContact O-N 2.83Å; E284-I286 VanDerWaalsContact C-N 3.28Å; E284-I286 PolarHBondContact O-N 3.46Å
287	S	94.4	Very high	95.3	Very high	74 Å²	74	49.7 Å²	49.7	52%	0.517	29%	0.286	S	S	.	.	H	α-helix	trans	-122.1	-13.5	-170.3	-67.5	0	0	0	0	115	I281 H283	I281-S287 WeakPolarHBondContact O-CB 3.31Å; I281-S287 PolarHBondContact O-OG 3.09Å; H283-S287 PolarHBondContact O-N 3.18Å
288	G	85.9	Confident	94.6	Very high	59 Å²	59	57.5 Å²	57.5	61%	0.608	32%	0.323	S	S	*	.	S	Bend	trans	-95.3	2.3	-179.1	0	0	0	0	0	115	E284 A290	E284-G288 CarbonylContact O-C 3.21Å; E284-G288 VanDerWaalsContact O-C 3.23Å; E284-G288 WeakPolarHBondContact O-CA 3.36Å; E284-G288 PolarHBondContact O-N 2.87Å; G288-A290 VanDerWaalsContact C-N 3.35Å; G288-A290 PolarHBondContact O-N 3.38Å
289	G	89.6	Confident	93.9	Very high	42 Å²	42	55.5 Å²	55.5	43%	0.433	32%	0.316	S	S	.	.	S	Bend	trans	84.6	-3.1	177.4	0	0	0	0	0	115.6	R120 E284 A291	R120-G289 PolarHBondContact NH1-O 3.43Å; R120-G289 PolarHBondContact NH2-O 3.49Å; E284-G289 PolarHBondContact O-N 3.25Å; E284-G289 VanDerWaalsContact O-N 3.12Å; G289-A291 VanDerWaalsContact C-N 3.29Å; G289-A291 PolarHBondContact O-N 3.43Å
290	A	95.6	Very high	93.2	Very high	40 Å²	40	51 Å²	51	33%	0.331	29%	0.294	S	S	.	.			trans	-67.4	-18.6	-171.2	0	0	0	0	0	115.7	S258 E284 G288 S292	S258-A290 WeakPolarHBondContact OG-CB 3.5Å; E284-A290 HydrophobicContact CB-CB 4.32Å; E284-A290 PolarHBondContact O-N 2.87Å; G288-A290 VanDerWaalsContact C-N 3.35Å; G288-A290 PolarHBondContact O-N 3.38Å; A290-S292 PolarHBondContact O-N 3.2Å
291	A	96.9	Very high	92.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	30%	0.298	C	S	.	.	S	Bend	trans	-60.9	131.3	175.3	0	0	0	0	0	112.4	E119 R120 W285 G289	E119-A291 HydrophobicContact CB-CB 4.07Å; R120-A291 PolarHBondContact NH1-O 3.05Å; R120-A291 VanDerWaalsContact NH1-O 3.11Å; R120-A291 PolarHBondContact NH2-O 3.05Å; W285-A291 HydrophobicContact CD2-CB 4.05Å; W285-A291 HydrophobicContact CG-CB 4.15Å; W285-A291 HydrophobicContact CZ2-CB 4.13Å; W285-A291 WeakPolarHBondContact O-CB 3.4Å; G289-A291 VanDerWaalsContact C-N 3.29Å; G289-A291 PolarHBondContact O-N 3.43Å
292	S	96.1	Very high	91.4	Very high	36 Å²	36	53 Å²	53	25%	0.252	31%	0.314	S	S	.	.			trans	-69.3	142.6	-176.8	-170.7	0	0	0	0	114.2	S118 E119 R120 A290 K294	S118-S292 WeakPolarHBondContact CB-O 3.29Å; E119-S292 WeakPolarHBondContact CB-O 3.4Å; E119-S292 PolarHBondContact N-O 2.87Å; E119-S292 WeakPolarHBondContact OE1-CB 3.45Å; E119-S292 PolarHBondContact OE2-N 3.25Å; R120-S292 PolarHBondContact N-O 2.99Å; A290-S292 PolarHBondContact O-N 3.2Å; S292-K294 VanDerWaalsContact C-N 3.33Å; S292-K294 VanDerWaalsContact OG-CB 3.28Å; S292-K294 WeakPolarHBondContact OG-CB 3.21Å; S292-K294 PolarHBondContact OG-N 3.11Å; S292-K294 VanDerWaalsContact OG-N 3.14Å
293	D	95.3	Very high	90.5	Very high	91 Å²	91	48.8 Å²	48.8	49%	0.487	29%	0.29	S	S	.	.			trans	-94.4	13.5	168.5	-62.4	-74.5	0	0	0	112.1	Y116 R120	Y116-D293 PolarHBondContact OH-O 2.9Å; R120-D293 VanDerWaalsContact CB-OD1 3.24Å; R120-D293 WeakPolarHBondContact CB-OD1 3.35Å; R120-D293 VanDerWaalsContact CG-OD1 3.31Å; R120-D293 WeakPolarHBondContact CG-OD1 3.31Å; R120-D293 IonicContact CZ-OD2 3.36Å; R120-D293 IonicContact NE-OD1 3.25Å; R120-D293 PolarHBondContact NE-OD1 3.27Å; R120-D293 VanDerWaalsContact NE-OD1 3.13Å; R120-D293 IonicContact NE-OD2 2.65Å; R120-D293 PolarHBondContact NE-OD2 2.65Å; R120-D293 IonicContact NH2-OD2 3.13Å; R120-D293 PolarHBondContact NH2-OD2 3.49Å
294	K	93.6	Very high	89.3	Confident	92 Å²	92	48 Å²	48	40%	0.4	29%	0.287	S	S	.	.	S	Bend	trans	-67.9	138.9	170.3	-175.2	175.1	175.5	179.3	0	110.6	S118 E254 S292 I296	S118-K294 WeakPolarHBondContact CA-O 3.15Å; S118-K294 WeakPolarHBondContact CB-O 3.3Å; E254-K294 VanDerWaalsContact CD-CE 3.44Å; E254-K294 WeakPolarHBondContact OE1-CE 3.17Å; E254-K294 IonicContact OE1-NZ 3.15Å; E254-K294 PolarHBondContact OE1-NZ 2.81Å; E254-K294 WeakPolarHBondContact OE2-CE 3.28Å; E254-K294 IonicContact OE2-NZ 3.7Å; E254-K294 PolarHBondContact OE2-NZ 2.8Å; S292-K294 VanDerWaalsContact C-N 3.33Å; S292-K294 VanDerWaalsContact OG-CB 3.28Å; S292-K294 WeakPolarHBondContact OG-CB 3.21Å; S292-K294 PolarHBondContact OG-N 3.11Å; S292-K294 VanDerWaalsContact OG-N 3.14Å; K294-I296 PolarHBondContact O-N 3.2Å
295	N	92.2	Very high	88	Confident	76 Å²	76	49.2 Å²	49.2	41%	0.406	29%	0.292	S	S	.	.			trans	-75.6	110.1	175.2	-172.2	22.3	0	0	0	110.1	Y116 Y117 K297	Y116-N295 HydrophobicContact CD2-CB 3.69Å; Y116-N295 HydrophobicContact CE2-CB 3.74Å; Y117-N295 PolarHBondContact N-OD1 3.38Å; Y117-N295 CarbonylContact O-C 3.55Å; Y117-N295 WeakPolarHBondContact O-CA 3.35Å; Y117-N295 PolarHBondContact O-OD1 2.87Å; N295-K297 VanDerWaalsContact OD1-CB 3.3Å; N295-K297 WeakPolarHBondContact OD1-CB 3.48Å; N295-K297 PolarHBondContact OD1-N 3.06Å
296	I	91.4	Very high	86.8	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	31%	0.307	C	S	.	.			trans	-102.6	3.8	177.8	64.3	176.3	0	0	0	112.2	Y117 L214 I255 K294 E298 N299 V300	Y117-I296 HydrophobicContact CD1-CD1 4.34Å; Y117-I296 HydrophobicContact CD1-CG1 3.93Å; Y117-I296 HydrophobicContact CE1-CD1 4.2Å; Y117-I296 HydrophobicContact CE1-CG1 4.3Å; Y117-I296 WeakPolarHBondContact O-CG1 3.47Å; Y117-I296 PolarHBondContact O-N 2.77Å; L214-I296 HydrophobicContact CD2-CD1 4.43Å; I255-I296 HydrophobicContact CD1-CD1 3.67Å; I255-I296 HydrophobicContact CD1-CG2 4.1Å; K294-I296 PolarHBondContact O-N 3.2Å; I296-E298 VanDerWaalsContact C-N 3.33Å; I296-E298 PolarHBondContact O-N 3.04Å; I296-N299 PolarHBondContact O-N 3.39Å; I296-V300 HydrophobicContact CB-CG2 4.45Å; I296-V300 HydrophobicContact CD1-CG2 4.14Å; I296-V300 HydrophobicContact CG1-CG2 4.11Å; I296-V300 WeakPolarHBondContact O-CG2 3.46Å; I296-V300 PolarHBondContact O-N 3.12Å
297	K	85.9	Confident	85.5	Confident	45 Å²	45	52.7 Å²	52.7	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-52.4	-45.6	-170.2	-163.5	-156.9	170.9	-159.4	0	113.5	L112 Q114 Y117 N295 V300 C301	L112-K297 WeakPolarHBondContact O-CE 3.23Å; L112-K297 PolarHBondContact O-NZ 3.12Å; Q114-K297 WeakPolarHBondContact O-CD 3.38Å; Q114-K297 WeakPolarHBondContact O-CE 3.44Å; Q114-K297 PolarHBondContact O-NZ 3.28Å; Y117-K297 PolarHBondContact O-N 2.99Å; N295-K297 VanDerWaalsContact OD1-CB 3.3Å; N295-K297 WeakPolarHBondContact OD1-CB 3.48Å; N295-K297 PolarHBondContact OD1-N 3.06Å; K297-V300 PolarHBondContact O-N 3.07Å; K297-C301 WeakPolarHBondContact CE-SG 3.48Å; K297-C301 VanDerWaalsContact O-CB 3.28Å; K297-C301 WeakPolarHBondContact O-CB 3.43Å; K297-C301 PolarHBondContact O-N 3.14Å; K297-C301 PolarHBondContact O-SG 3.44Å
298	E	84.8	Confident	84	Confident	165 Å²	165	53.5 Å²	53.5	77%	0.771	30%	0.302	S	S	*	.	H	α-helix	trans	-62.7	-50.2	-171.3	-171.1	166.5	-174.6	0	0	111.8	I296 V300 C301 A302	I296-E298 VanDerWaalsContact C-N 3.33Å; I296-E298 PolarHBondContact O-N 3.04Å; E298-V300 PolarHBondContact O-N 3.11Å; E298-C301 PolarHBondContact O-N 2.97Å; E298-A302 WeakPolarHBondContact O-CB 3.17Å; E298-A302 PolarHBondContact O-N 3.21Å
299	N	83.3	Confident	82.4	Confident	66 Å²	66	53.5 Å²	53.5	35%	0.353	30%	0.296	S	S	.	.	H	α-helix	trans	-59.7	-48.3	176.8	-65.3	-17.2	0	0	0	111.6	I296 Q303	I296-N299 PolarHBondContact O-N 3.39Å; N299-Q303 PolarHBondContact O-N 3.32Å
300	V	84.2	Confident	80.8	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-50	-179.4	173.4	0	0	0	0	110.9	Y117 L214 I296 K297 E298 A302 Q303 I304	Y117-V300 HydrophobicContact CE1-CG1 4.21Å; Y117-V300 HydrophobicContact CE1-CG2 4.46Å; L214-V300 VanDerWaalsContact O-CG2 3.23Å; L214-V300 WeakPolarHBondContact O-CG2 3.4Å; I296-V300 HydrophobicContact CB-CG2 4.45Å; I296-V300 HydrophobicContact CD1-CG2 4.14Å; I296-V300 HydrophobicContact CG1-CG2 4.11Å; I296-V300 WeakPolarHBondContact O-CG2 3.46Å; I296-V300 PolarHBondContact O-N 3.12Å; K297-V300 PolarHBondContact O-N 3.07Å; E298-V300 PolarHBondContact O-N 3.11Å; V300-A302 PolarHBondContact O-N 3.1Å; V300-Q303 PolarHBondContact O-N 2.73Å; V300-I304 HydrophobicContact CG1-CD1 3.59Å; V300-I304 HydrophobicContact CG1-CG1 4.3Å; V300-I304 WeakPolarHBondContact O-CB 3.2Å; V300-I304 WeakPolarHBondContact O-CG1 3.31Å; V300-I304 PolarHBondContact O-N 3.43Å
301	C	79.4	Confident	78.8	Confident	12 Å²	12	54.3 Å²	54.3	8%	0.081	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-37.3	-177.6	-68.6	0	0	0	0	112.8	L112 K297 E298 Q303 I304 E305	L112-C301 HydrophobicContact CD2-CB 4.14Å; K297-C301 WeakPolarHBondContact CE-SG 3.48Å; K297-C301 VanDerWaalsContact O-CB 3.28Å; K297-C301 WeakPolarHBondContact O-CB 3.43Å; K297-C301 PolarHBondContact O-N 3.14Å; K297-C301 PolarHBondContact O-SG 3.44Å; E298-C301 PolarHBondContact O-N 2.97Å; C301-Q303 VanDerWaalsContact C-N 3.35Å; C301-Q303 PolarHBondContact O-N 2.89Å; C301-I304 PolarHBondContact O-N 3Å; C301-E305 WeakPolarHBondContact O-CG 3.49Å; C301-E305 PolarHBondContact O-N 2.94Å
302	A	79.1	Confident	76.1	Confident	52 Å²	52	61.6 Å²	61.6	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-60.3	-43.2	176.4	0	0	0	0	0	112.1	E298 V300 K306	E298-A302 WeakPolarHBondContact O-CB 3.17Å; E298-A302 PolarHBondContact O-N 3.21Å; V300-A302 PolarHBondContact O-N 3.1Å; A302-K306 PolarHBondContact O-N 3.14Å
303	Q	79.4	Confident	73.1	Confident	26 Å²	26	69 Å²	69	12%	0.121	34%	0.341	C	S	.	.	H	α-helix	trans	-71.8	-37.6	175.8	-62	-43.3	-49.9	0	0	112.4	Y251 N299 V300 C301 E305 K306 N307	Y251-Q303 HydrophobicContact CD1-CG 3.67Å; Y251-Q303 HydrophobicContact CE1-CG 3.58Å; Y251-Q303 VanDerWaalsContact CE1-NE2 3.29Å; Y251-Q303 HydrophobicContact CG-CG 4.47Å; N299-Q303 PolarHBondContact O-N 3.32Å; V300-Q303 PolarHBondContact O-N 2.73Å; C301-Q303 VanDerWaalsContact C-N 3.35Å; C301-Q303 PolarHBondContact O-N 2.89Å; Q303-E305 PolarHBondContact O-N 2.99Å; Q303-K306 WeakPolarHBondContact O-CB 3.43Å; Q303-K306 PolarHBondContact O-N 3.46Å; Q303-K306 VanDerWaalsContact OE1-CD 3.25Å; Q303-N307 VanDerWaalsContact O-CB 3.29Å; Q303-N307 WeakPolarHBondContact O-CB 3.28Å; Q303-N307 PolarHBondContact O-N 2.84Å; Q303-N307 PolarHBondContact O-ND2 3.34Å
304	I	73.1	Confident	70.3	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.015	33%	0.333	C	S	.	.	H	α-helix	trans	-56.9	-48.9	173	-71.9	173.8	0	0	0	111	F108 L112 V300 C301 K306 N307 F308	F108-I304 HydrophobicContact CD1-CG2 4.46Å; F108-I304 HydrophobicContact CD2-CD1 4.3Å; F108-I304 HydrophobicContact CE1-CB 4.35Å; F108-I304 HydrophobicContact CE1-CD1 4.22Å; F108-I304 HydrophobicContact CE1-CG1 4.28Å; F108-I304 HydrophobicContact CE1-CG2 3.27Å; F108-I304 HydrophobicContact CE2-CD1 3.51Å; F108-I304 HydrophobicContact CE2-CG1 3.71Å; F108-I304 HydrophobicContact CE2-CG2 4.31Å; F108-I304 HydrophobicContact CZ-CB 3.82Å; F108-I304 HydrophobicContact CZ-CD1 3.5Å; F108-I304 VanDerWaalsContact CZ-CD1 3.5Å; F108-I304 HydrophobicContact CZ-CG1 3.37Å; F108-I304 HydrophobicContact CZ-CG2 3.2Å; L112-I304 HydrophobicContact CD1-CG2 4.01Å; L112-I304 HydrophobicContact CD2-CB 4.25Å; L112-I304 HydrophobicContact CD2-CD1 4.33Å; L112-I304 HydrophobicContact CD2-CG2 3.64Å; L112-I304 HydrophobicContact CG-CG2 4.18Å; V300-I304 HydrophobicContact CG1-CD1 3.59Å; V300-I304 HydrophobicContact CG1-CG1 4.3Å; V300-I304 WeakPolarHBondContact O-CB 3.2Å; V300-I304 WeakPolarHBondContact O-CG1 3.31Å; V300-I304 PolarHBondContact O-N 3.43Å; C301-I304 PolarHBondContact O-N 3Å; I304-K306 PolarHBondContact O-N 3.44Å; I304-N307 PolarHBondContact O-N 2.59Å; I304-F308 HydrophobicContact CG2-CD2 4.06Å; I304-F308 WeakPolarHBondContact O-CB 3.33Å; I304-F308 WeakPolarHBondContact O-CD2 3.5Å; I304-F308 PolarHBondContact O-N 3.31Å
305	E	70.6	Confident	67.3	Low	130 Å²	130	71.3 Å²	71.3	61%	0.607	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-43.1	-179.3	-73.6	-177.3	-174.2	0	0	111.6	C301 Q303 N307 A309	C301-E305 WeakPolarHBondContact O-CG 3.49Å; C301-E305 PolarHBondContact O-N 2.94Å; Q303-E305 PolarHBondContact O-N 2.99Å; E305-N307 PolarHBondContact O-N 3.28Å; E305-A309 WeakPolarHBondContact O-CB 3.24Å; E305-A309 PolarHBondContact O-N 3.25Å
306	K	74.3	Confident	64.2	Low	69 Å²	69	70.4 Å²	70.4	30%	0.3	35%	0.35	S	S	.	.	H	α-helix	trans	-55	-49.2	171.9	-173.7	-168.2	179	-161.4	0	111.2	E223 A302 Q303 I304 R310	E223-K306 IonicContact OE1-NZ 4Å; E223-K306 PolarHBondContact OE1-NZ 2.97Å; A302-K306 PolarHBondContact O-N 3.14Å; Q303-K306 WeakPolarHBondContact O-CB 3.43Å; Q303-K306 PolarHBondContact O-N 3.46Å; Q303-K306 VanDerWaalsContact OE1-CD 3.25Å; I304-K306 PolarHBondContact O-N 3.44Å; K306-R310 WeakPolarHBondContact O-CB 3.48Å; K306-R310 VanDerWaalsContact O-CG 3.31Å; K306-R310 WeakPolarHBondContact O-CG 3.21Å; K306-R310 PolarHBondContact O-N 3.24Å
307	N	71.1	Confident	61.3	Low	18 Å²	18	73 Å²	73	10%	0.096	37%	0.366	C	S	.	.	H	α-helix	trans	-75	-35.4	-175.8	-68.6	-25.6	0	0	0	113.2	G216 N217 Q303 I304 E305 R310 A311	G216-N307 PolarHBondContact O-ND2 2.74Å; N217-N307 PolarHBondContact OD1-ND2 2.93Å; Q303-N307 VanDerWaalsContact O-CB 3.29Å; Q303-N307 WeakPolarHBondContact O-CB 3.28Å; Q303-N307 PolarHBondContact O-N 2.84Å; Q303-N307 PolarHBondContact O-ND2 3.34Å; I304-N307 PolarHBondContact O-N 2.59Å; E305-N307 PolarHBondContact O-N 3.28Å; N307-R310 WeakPolarHBondContact O-CB 3.49Å; N307-R310 PolarHBondContact O-N 2.95Å; N307-A311 WeakPolarHBondContact O-CB 3.4Å; N307-A311 PolarHBondContact O-N 3.45Å
308	F	61.8	Low	58.7	Low	91 Å²	91	78.5 Å²	78.5	40%	0.399	39%	0.385	S	S	.	.	H	α-helix	trans	-77.2	-31.5	176.3	-88.6	-114.6	0	0	0	112.5	F108 I304 A311 K312	F108-F308 HydrophobicContact CD1-CE1 4.18Å; F108-F308 HydrophobicContact CD1-CE2 4.11Å; F108-F308 AromaticContact CD1-CZ 3.7Å; F108-F308 HydrophobicContact CD1-CZ 3.7Å; F108-F308 HydrophobicContact CE1-CD1 4.27Å; F108-F308 AromaticContact CE1-CD2 3.69Å; F108-F308 HydrophobicContact CE1-CD2 3.69Å; F108-F308 AromaticContact CE1-CE1 3.77Å; F108-F308 HydrophobicContact CE1-CE1 3.77Å; F108-F308 AromaticContact CE1-CE2 3.13Å; F108-F308 HydrophobicContact CE1-CE2 3.13Å; F108-F308 HydrophobicContact CE1-CG 4.24Å; F108-F308 AromaticContact CE1-CZ 3.16Å; F108-F308 HydrophobicContact CE1-CZ 3.16Å; F108-F308 HydrophobicContact CE2-CE2 4.16Å; F108-F308 AromaticContact CZ-CD2 3.76Å; F108-F308 HydrophobicContact CZ-CD2 3.76Å; F108-F308 AromaticContact CZ-CE2 3.12Å; F108-F308 HydrophobicContact CZ-CE2 3.12Å; F108-F308 AromaticContact CZ-CZ 3.61Å; F108-F308 HydrophobicContact CZ-CZ 3.61Å; I304-F308 HydrophobicContact CG2-CD2 4.06Å; I304-F308 WeakPolarHBondContact O-CB 3.33Å; I304-F308 WeakPolarHBondContact O-CD2 3.5Å; I304-F308 PolarHBondContact O-N 3.31Å; F308-A311 PolarHBondContact O-N 2.88Å; F308-K312 WeakPolarHBondContact O-CB 3.07Å; F308-K312 WeakPolarHBondContact O-CG 3.49Å; F308-K312 PolarHBondContact O-N 3.45Å
309	A	53.4	Low	56	Low	59 Å²	59	74.5 Å²	74.5	49%	0.488	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-48.7	166.8	0	0	0	0	0	110.3	E305 A311 K312 W313	E305-A309 WeakPolarHBondContact O-CB 3.24Å; E305-A309 PolarHBondContact O-N 3.25Å; A309-A311 PolarHBondContact O-N 3.17Å; A309-K312 PolarHBondContact O-N 3.49Å; A309-W313 VanDerWaalsContact O-CB 3.26Å; A309-W313 WeakPolarHBondContact O-CB 3.42Å; A309-W313 PolarHBondContact O-N 2.88Å
310	R	54.6	Low	53.4	Low	57 Å²	57	74.9 Å²	74.9	22%	0.215	38%	0.377	C	S	.	.	H	α-helix	trans	-55.7	-45.2	171.8	-76.7	168.9	159	177.1	-9.2	112.2	Y221 E223 D226 K306 N307 W313 K314	Y221-R310 PolarHBondContact OH-NH1 2.9Å; E223-R310 IonicContact OE1-NH1 3.49Å; D226-R310 IonicContact OD2-NH2 2.85Å; K306-R310 WeakPolarHBondContact O-CB 3.48Å; K306-R310 VanDerWaalsContact O-CG 3.31Å; K306-R310 WeakPolarHBondContact O-CG 3.21Å; K306-R310 PolarHBondContact O-N 3.24Å; N307-R310 WeakPolarHBondContact O-CB 3.49Å; N307-R310 PolarHBondContact O-N 2.95Å; R310-W313 PolarHBondContact O-N 3.35Å; R310-K314 WeakPolarHBondContact O-CB 3.29Å; R310-K314 VanDerWaalsContact O-CG 3.28Å; R310-K314 WeakPolarHBondContact O-CG 3.28Å; R310-K314 PolarHBondContact O-N 2.8Å
311	A	54.4	Low	50.9	Low	43 Å²	43	77.7 Å²	77.7	36%	0.355	39%	0.394	S	S	.	.	H	α-helix	trans	-69.4	-39.4	180	0	0	0	0	0	113.7	N307 F308 A309 K315	N307-A311 WeakPolarHBondContact O-CB 3.4Å; N307-A311 PolarHBondContact O-N 3.45Å; F308-A311 PolarHBondContact O-N 2.88Å; A309-A311 PolarHBondContact O-N 3.17Å; A311-K315 WeakPolarHBondContact O-CG 3.48Å; A311-K315 PolarHBondContact O-N 3.36Å
312	K	40.8	Very low	48.8	Very low	154 Å²	154	81.7 Å²	81.7	67%	0.67	41%	0.414	S	S	*	.	H	α-helix	trans	-66.8	-40	173.4	-76.3	175.9	-179.5	170.3	0	111.2	F308 A309 K315 A316	F308-K312 WeakPolarHBondContact O-CB 3.07Å; F308-K312 WeakPolarHBondContact O-CG 3.49Å; F308-K312 PolarHBondContact O-N 3.45Å; A309-K312 PolarHBondContact O-N 3.49Å; K312-K315 PolarHBondContact O-N 3.13Å; K312-A316 WeakPolarHBondContact O-CB 3.14Å; K312-A316 PolarHBondContact O-N 3.45Å
313	W	31.3	Very low	46.6	Very low	191 Å²	191	85.2 Å²	85.2	72%	0.723	42%	0.423	S	S	*	.	H	α-helix	trans	-60.1	-52.3	172.2	-176.4	-89.7	0	0	0	111.4	A309 R310 K315 A316 V317	A309-W313 VanDerWaalsContact O-CB 3.26Å; A309-W313 WeakPolarHBondContact O-CB 3.42Å; A309-W313 PolarHBondContact O-N 2.88Å; R310-W313 PolarHBondContact O-N 3.35Å; W313-K315 VanDerWaalsContact C-N 3.29Å; W313-K315 PolarHBondContact O-N 3.14Å; W313-A316 PolarHBondContact O-N 2.84Å; W313-V317 HydrophobicContact CG-CG2 4.41Å; W313-V317 WeakPolarHBondContact O-CG2 3.04Å; W313-V317 PolarHBondContact O-N 3.45Å
314	K	36.8	Very low	44.4	Very low	72 Å²	72	92.3 Å²	92.3	31%	0.313	45%	0.453	S	S	.	.	H	α-helix	trans	-57.6	-37.6	177.2	-72.6	176.4	-179.9	-173.3	0	111.8	D226 R310 R318	D226-K314 IonicContact OD1-NZ 2.59Å; R310-K314 WeakPolarHBondContact O-CB 3.29Å; R310-K314 VanDerWaalsContact O-CG 3.28Å; R310-K314 WeakPolarHBondContact O-CG 3.28Å; R310-K314 PolarHBondContact O-N 2.8Å; K314-R318 WeakPolarHBondContact O-CB 3.35Å; K314-R318 PolarHBondContact O-N 3.17Å; K314-R318 VanDerWaalsContact O-N 3.11Å
315	K	30.9	Very low	42.8	Very low	160 Å²	160	102.2 Å²	102.2	70%	0.696	49%	0.49	S	S	*	.	H	α-helix	trans	-66.8	-42	171.8	-75.4	176.8	-179.9	174.7	0	113.4	A311 K312 W313 R318 V319	A311-K315 WeakPolarHBondContact O-CG 3.48Å; A311-K315 PolarHBondContact O-N 3.36Å; K312-K315 PolarHBondContact O-N 3.13Å; W313-K315 VanDerWaalsContact C-N 3.29Å; W313-K315 PolarHBondContact O-N 3.14Å; K315-R318 PolarHBondContact O-N 3.44Å; K315-V319 PolarHBondContact O-N 2.86Å
316	A	28.3	Very low	41.2	Very low	57 Å²	57	102.9 Å²	102.9	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-70.1	-38.6	178.5	0	0	0	0	0	113.3	K312 W313 V319 T320	K312-A316 WeakPolarHBondContact O-CB 3.14Å; K312-A316 PolarHBondContact O-N 3.45Å; W313-A316 PolarHBondContact O-N 2.84Å; A316-V319 PolarHBondContact O-N 2.68Å; A316-T320 PolarHBondContact O-N 3.33Å; A316-T320 VanDerWaalsContact O-N 3.07Å; A316-T320 PolarHBondContact O-OG1 3.3Å
317	V	30.9	Very low	39.7	Very low	59 Å²	59	109.9 Å²	109.9	36%	0.358	52%	0.522	S	S	.	.	H	α-helix	trans	-63.1	-42.9	173	173.2	0	0	0	0	110.6	W313 V319 T320 T321	W313-V317 HydrophobicContact CG-CG2 4.41Å; W313-V317 WeakPolarHBondContact O-CG2 3.04Å; W313-V317 PolarHBondContact O-N 3.45Å; V317-V319 VanDerWaalsContact C-N 3.29Å; V317-V319 PolarHBondContact O-N 3.25Å; V317-T320 WeakPolarHBondContact CA-OG1 3.43Å; V317-T320 PolarHBondContact O-N 3.11Å; V317-T320 PolarHBondContact O-OG1 3.29Å; V317-T321 WeakPolarHBondContact O-CB 3.34Å; V317-T321 PolarHBondContact O-N 2.85Å; V317-T321 PolarHBondContact O-OG1 3.45Å; V317-T321 VanDerWaalsContact O-OG1 3.14Å
318	R	29.9	Very low	37.9	Very low	160 Å²	160	113.4 Å²	113.4	60%	0.604	55%	0.553	S	S	*	*	H	α-helix	trans	-59.1	-37.9	177.5	-163.5	171.5	-177.2	176.4	3.2	112.7	K314 K315 I322	K314-R318 WeakPolarHBondContact O-CB 3.35Å; K314-R318 PolarHBondContact O-N 3.17Å; K314-R318 VanDerWaalsContact O-N 3.11Å; K315-R318 PolarHBondContact O-N 3.44Å; R318-I322 WeakPolarHBondContact O-CD1 3.38Å; R318-I322 VanDerWaalsContact O-CG1 3.24Å; R318-I322 WeakPolarHBondContact O-CG1 3.18Å; R318-I322 PolarHBondContact O-N 3.04Å
319	V	28.9	Very low	36.8	Very low	81 Å²	81	114.4 Å²	114.4	49%	0.491	57%	0.569	S	S	.	*	H	α-helix	trans	-69.2	-47.3	174.4	174	0	0	0	0	111.8	K315 A316 V317 I322 M323	K315-V319 PolarHBondContact O-N 2.86Å; A316-V319 PolarHBondContact O-N 2.68Å; V317-V319 VanDerWaalsContact C-N 3.29Å; V317-V319 PolarHBondContact O-N 3.25Å; V319-I322 PolarHBondContact O-N 3.21Å; V319-M323 HydrophobicContact CG1-CE 3.99Å; V319-M323 HydrophobicContact CG1-SD 4.42Å; V319-M323 WeakPolarHBondContact O-CG 3.33Å; V319-M323 PolarHBondContact O-N 2.82Å; V319-M323 VanDerWaalsContact O-N 3.09Å
320	T	27.8	Very low	35.7	Very low	75 Å²	75	121 Å²	121	46%	0.46	59%	0.59	S	S	.	*	H	α-helix	trans	-72.3	-32.9	-175.8	49.3	0	0	0	0	113.7	A316 V317 M323 K324	A316-T320 PolarHBondContact O-N 3.33Å; A316-T320 VanDerWaalsContact O-N 3.07Å; A316-T320 PolarHBondContact O-OG1 3.3Å; V317-T320 WeakPolarHBondContact CA-OG1 3.43Å; V317-T320 PolarHBondContact O-N 3.11Å; V317-T320 PolarHBondContact O-OG1 3.29Å; T320-M323 PolarHBondContact O-N 3.09Å; T320-K324 PolarHBondContact O-N 3.42Å
321	T	33.2	Very low	34.7	Very low	63 Å²	63	126.6 Å²	126.6	39%	0.387	62%	0.618	S	S	.	*	H	α-helix	trans	-70.7	-33.4	174.6	-61.3	0	0	0	0	112	V317 K324 R325	V317-T321 WeakPolarHBondContact O-CB 3.34Å; V317-T321 PolarHBondContact O-N 2.85Å; V317-T321 PolarHBondContact O-OG1 3.45Å; V317-T321 VanDerWaalsContact O-OG1 3.14Å; T321-K324 PolarHBondContact O-N 3.26Å; T321-R325 PolarHBondContact O-N 3.49Å
322	I	34.5	Very low	33.5	Very low	95 Å²	95	129.3 Å²	129.3	49%	0.487	64%	0.635	S	S	.	*	H	α-helix	trans	-64.7	-42.8	169	-69.9	169.3	0	0	0	110.4	R318 V319 K324 R325 L326	R318-I322 WeakPolarHBondContact O-CD1 3.38Å; R318-I322 VanDerWaalsContact O-CG1 3.24Å; R318-I322 WeakPolarHBondContact O-CG1 3.18Å; R318-I322 PolarHBondContact O-N 3.04Å; V319-I322 PolarHBondContact O-N 3.21Å; I322-K324 VanDerWaalsContact C-N 3.32Å; I322-K324 PolarHBondContact O-N 2.83Å; I322-R325 PolarHBondContact O-N 3.26Å; I322-L326 HydrophobicContact CG2-CD1 3.94Å; I322-L326 WeakPolarHBondContact O-CG 3.3Å; I322-L326 PolarHBondContact O-N 2.68Å
323	M	32.6	Very low	33	Very low	127 Å²	127	129.3 Å²	129.3	63%	0.626	64%	0.642	S	S	*	*	H	α-helix	trans	-64.3	-32.7	175.3	-70	-178.8	176.2	0	0	113.4	V319 T320	V319-M323 HydrophobicContact CG1-CE 3.99Å; V319-M323 HydrophobicContact CG1-SD 4.42Å; V319-M323 WeakPolarHBondContact O-CG 3.33Å; V319-M323 PolarHBondContact O-N 2.82Å; V319-M323 VanDerWaalsContact O-N 3.09Å; T320-M323 PolarHBondContact O-N 3.09Å
324	K	33	Very low	32.9	Very low	174 Å²	174	125 Å²	125	76%	0.757	64%	0.641	S	S	*	*	H	α-helix	trans	-73.9	-35.4	172.4	-77.4	-177.4	176	178.2	0	113.1	T320 T321 I322 L326 R327	T320-K324 PolarHBondContact O-N 3.42Å; T321-K324 PolarHBondContact O-N 3.26Å; I322-K324 VanDerWaalsContact C-N 3.32Å; I322-K324 PolarHBondContact O-N 2.83Å; K324-L326 VanDerWaalsContact C-N 3.28Å; K324-L326 PolarHBondContact O-N 3.18Å; K324-R327 PolarHBondContact O-N 3.01Å
325	R	39.7	Very low	32.6	Very low	211 Å²	211	130.7 Å²	130.7	80%	0.796	67%	0.666	S	S	*	*	H	α-helix	trans	-75	-11.8	173.3	-81.4	-175.8	171.5	169.7	-1.7	114.1	T321 I322	T321-R325 PolarHBondContact O-N 3.49Å; I322-R325 PolarHBondContact O-N 3.26Å
326	L	36.9	Very low	33.1	Very low	144 Å²	144	128.5 Å²	128.5	75%	0.754	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	15.1	172.1	-73.5	171.6	0	0	0	113.8	I322 K324	I322-L326 HydrophobicContact CG2-CD1 3.94Å; I322-L326 WeakPolarHBondContact O-CG 3.3Å; I322-L326 PolarHBondContact O-N 2.68Å; K324-L326 VanDerWaalsContact C-N 3.28Å; K324-L326 PolarHBondContact O-N 3.18Å
327	R	42.7	Very low	33.1	Very low	217 Å²	217	130.6 Å²	130.6	82%	0.819	69%	0.685	S	S	*	*	S	Bend	trans	-132.8	105.9	175.4	-168.6	172.6	-92.8	-175.1	-6.3	112.5	K324	K324-R327 PolarHBondContact O-N 3.01Å
328	A	34.2	Very low	33	Very low	91 Å²	91	134.5 Å²	134.5	75%	0.752	71%	0.709	S	S	*	*			trans	75.6	145.8	173.4	0	0	0	0	0	114.6
329	P	37.8	Very low	33.6	Very low	112 Å²	112	132.2 Å²	132.2	73%	0.727	72%	0.715	S	S	*	*				-128.3	149.5	54.2	38.6	-26	0	0	0	116.7
330	E	31	Very low	33.6	Very low	199 Å²	199	133 Å²	133	93%	0.93	73%	0.73	S	S	*	*			trans	-119.6	148.2	134.1	-75.6	-168.7	144.4	0	0	107.6
331	Q	32.7	Very low	33.6	Very low	173 Å²	173	134 Å²	134	81%	0.808	75%	0.745	S	S	*	*			trans	-103.2	155.3	-163.7	-71	175.7	-49	0	0	113.7
332	S	29.8	Very low	33.4	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	77%	0.767	S	S	*	*			trans	38.9	133.7	144.4	62.6	0	0	0	0	119.9
333	D	31	Very low	33.2	Very low	155 Å²	155	136 Å²	136	83%	0.829	78%	0.783	S	S	*	*			cis	-167.4	-178.4	4.3	-133.3	-117.6	0	0	0	107.9
334	S	28.5	Very low	32.9	Very low	99 Å²	99	137.4 Å²	137.4	69%	0.692	79%	0.793	S	S	*	*			cis	-147.6	-137.2	11.1	60.5	0	0	0	0	112.6
335	K	29.9	Very low	33.5	Very low	192 Å²	192	133.6 Å²	133.6	84%	0.835	79%	0.786	S	S	*	*			trans	-155.7	172.5	-176.7	-109.9	-175	-175.9	178.7	0	109.6
336	P	42.4	Very low	33	Very low	114 Å²	114	130.5 Å²	130.5	74%	0.74	79%	0.791	S	S	*	*			cis	-136.7	164.9	-8.8	36	-18.1	0	0	0	115.9
337	A	27.1	Very low	32.5	Very low	102 Å²	102	127.9 Å²	127.9	84%	0.843	79%	0.79	S	S	*	*			trans	-169.9	161.6	138.8	0	0	0	0	0	111.1
338	V	30.2	Very low	32.3	Very low	140 Å²	140	123.1 Å²	123.1	85%	0.848	79%	0.787	S	S	*	*			trans	-140.8	178.1	-174.1	-131.3	0	0	0	0	108.8
339	P	41.6	Very low	31.9	Very low	113 Å²	113	127.2 Å²	127.2	73%	0.734	79%	0.791	S	S	*	*			cis	-119.5	175.8	-42	26.5	-7.4	0	0	0	112.3
340	A	28.7	Very low	31.5	Very low	98 Å²	98	129.4 Å²	129.4	81%	0.81	80%	0.795	S	S	*	*				165	134.1	121.1	0	0	0	0	0	116.2
341	A	28.2	Very low	31.2	Very low	94 Å²	94	125 Å²	125	78%	0.777	79%	0.786	S	S	*	*			trans	58.6	109.6	137	0	0	0	0	0	123.8
342	A	29.2	Very low	31	Very low	102 Å²	102	121.2 Å²	121.2	84%	0.843	78%	0.784	S	S	*	*				88.6	147.2	115.6	0	0	0	0	0	123
343	A	29.7	Very low	30.8	Very low	100 Å²	100	123.8 Å²	123.8	83%	0.826	79%	0.79	S	S	*	*			trans	82.5	102.1	157.7	0	0	0	0	0	120.7
344	D	25.8	Very low	31.5	Very low	156 Å²	156	121.1 Å²	121.1	83%	0.834	78%	0.781	S	S	*	*			trans	-53.3	179.9	141.6	-114.6	-19.6	0	0	0	112.8
345	P	47.4	Very low	31.5	Very low	94 Å²	94	122.2 Å²	122.2	61%	0.61	79%	0.789	S	S	*	*			cis	-135.2	169.8	-28.2	36.1	-20.7	0	0	0	112.7
346	T	28.3	Very low	31.6	Very low	146 Å²	146	117.6 Å²	117.6	90%	0.896	79%	0.786	S	S	*	*				173.9	155.3	123.6	26.9	0	0	0	0	114
347	A	26.8	Very low	31.9	Very low	88 Å²	88	117.8 Å²	117.8	73%	0.727	79%	0.787	S	S	*	*			trans	-90.5	-168.8	179.4	0	0	0	0	0	111.4
348	P	38.5	Very low	32.8	Very low	118 Å²	118	118.3 Å²	118.3	77%	0.766	78%	0.782	S	S	*	*			cis	-138.2	-171.4	0.5	40.3	-19	0	0	0	116.7
349	Q	26.1	Very low	32.8	Very low	177 Å²	177	117.1 Å²	117.1	83%	0.827	78%	0.78	S	S	*	*			trans	-30.4	159.2	169	-55.3	177.2	-35.9	0	0	118.3
350	I	27.7	Very low	32.2	Very low	158 Å²	158	115.9 Å²	115.9	81%	0.81	78%	0.78	S	S	*	*				-173	146.9	116.3	-95.4	155.7	0	0	0	112.1
351	S	25.5	Very low	32.4	Very low	107 Å²	107	116 Å²	116	75%	0.748	78%	0.781	S	S	*	*			trans	3.2	150.4	164.8	72.4	0	0	0	0	121.2
352	A	28.5	Very low	32.3	Very low	93 Å²	93	114.9 Å²	114.9	77%	0.769	78%	0.778	S	S	*	*				-176.8	155.5	51.9	0	0	0	0	0	113.1
353	N	26.3	Very low	33.3	Very low	154 Å²	154	115.4 Å²	115.4	82%	0.824	77%	0.773	S	S	*	*			trans	-83.2	-176.7	159.2	-139.4	9.1	0	0	0	108.6
354	P	44.9	Very low	33.4	Very low	99 Å²	99	118.4 Å²	118.4	64%	0.643	78%	0.775	S	S	*	*			cis	-131.8	-176.6	-16.3	41.6	-25.8	0	0	0	113.1
355	S	29	Very low	33.5	Very low	122 Å²	122	114.9 Å²	114.9	85%	0.853	78%	0.776	S	S	*	*			trans	-178	157.3	130.4	-82.8	0	0	0	0	112.1
356	A	31.9	Very low	32.7	Very low	95 Å²	95	115 Å²	115	79%	0.785	78%	0.784	S	S	*	*			trans	-112.1	-163.1	-164.1	0	0	0	0	0	112.4
357	P	48.5	Very low	33.7	Very low	117 Å²	117	113.4 Å²	113.4	76%	0.76	78%	0.776	S	S	*	*			trans	-104.9	-165.5	-138.6	43.2	-28.3	0	0	0	112.7
358	P	46.8	Very low	33.8	Very low	113 Å²	113	117 Å²	117	73%	0.734	78%	0.784	S	S	*	*				-156	178	83.3	42.1	-22	0	0	0	116.8
359	S	29.6	Very low	33.5	Very low	115 Å²	115	115.7 Å²	115.7	80%	0.804	78%	0.782	S	S	*	*			trans	52.7	139.4	132.5	173.9	0	0	0	0	121.5
360	A	29.7	Very low	33.6	Very low	88 Å²	88	112.4 Å²	112.4	73%	0.727	79%	0.785	S	S	*	*			cis	-175.4	-167.6	-6.3	0	0	0	0	0	109.9
361	A	32.1	Very low	33.6	Very low	101 Å²	101	108.5 Å²	108.5	84%	0.835	79%	0.785	S	S	*	*			trans	83.1	117.3	163.5	0	0	0	0	0	119.1
362	G	27.1	Very low	33.8	Very low	70 Å²	70	112.7 Å²	112.7	72%	0.722	79%	0.792	S	S	*	*			trans	-100.4	-139.9	146.5	0	0	0	0	0	108.5
363	P	50.1	Low	33.8	Very low	112 Å²	112	118 Å²	118	73%	0.727	80%	0.801	S	S	*	*			cis	-126.9	-179.4	-24.6	40.1	-25.7	0	0	0	111.6
364	N	31.1	Very low	33.8	Very low	164 Å²	164	119.8 Å²	119.8	88%	0.877	80%	0.802	S	S	*	*			trans	150.3	157.4	139.2	-81.9	-24.7	0	0	0	113.6
365	G	28.6	Very low	32.9	Very low	82 Å²	82	119.7 Å²	119.7	85%	0.845	80%	0.804	S	S	*	*			trans	114.6	92.9	149.3	0	0	0	0	0	116.7
366	A	29.2	Very low	32.9	Very low	96 Å²	96	123.5 Å²	123.5	79%	0.793	81%	0.808	S	S	*	*			trans	-137.6	175.7	157.9	0	0	0	0	0	106.9
367	P	50.2	Low	32.6	Very low	112 Å²	112	128.4 Å²	128.4	73%	0.727	82%	0.815	S	S	*	*			cis	-124.2	179	-41.1	36.7	-22.1	0	0	0	111.1
368	D	29.1	Very low	31.7	Very low	165 Å²	165	127.9 Å²	127.9	88%	0.882	82%	0.82	S	S	*	*			trans	177.2	158.5	154.4	-100.3	-22	0	0	0	108.8
369	A	30.6	Very low	30.7	Very low	89 Å²	89	127.2 Å²	127.2	74%	0.736	82%	0.824	S	S	*	*			cis	-153.3	-176.6	-10.6	0	0	0	0	0	109.3
370	A	29.1	Very low	30.7	Very low	108 Å²	108	128.8 Å²	128.8	89%	0.893	83%	0.828	S	S	*	*			trans	-77.3	165.2	-175.7	0	0	0	0	0	115.2
371	G	28	Very low	30.7	Very low	77 Å²	77	128.7 Å²	128.7	79%	0.794	83%	0.827	S	S	*	*			trans	-161.7	103.5	167.4	0	0	0	0	0	111.2
372	E	29.5	Very low	30.7	Very low	194 Å²	194	130 Å²	130	91%	0.907	83%	0.828	S	S	*	*			trans	-81.7	147.3	166.3	-61.8	-179.4	123.7	0	0	109.6
373	E	28.9	Very low	30.8	Very low	206 Å²	206	131.6 Å²	131.6	96%	0.963	83%	0.834	S	S	*	*			trans	-145.5	155.2	155.3	-126.6	176.6	-160.5	0	0	112.2
374	K	26.1	Very low	29.8	Very low	190 Å²	190	135.5 Å²	135.5	83%	0.826	84%	0.842	S	S	*	*			trans	-121.6	144.7	-158.3	-125.4	-178	-175.1	172.9	0	111.4
375	S	25.5	Very low	29.6	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	84%	0.842	S	S	*	*			trans	55	122.5	143.3	-59.1	0	0	0	0	120.2
376	Q	28.8	Very low	29.7	Very low	202 Å²	202	138.5 Å²	138.5	94%	0.944	84%	0.84	S	S	*	*				-155.3	138	122.5	-112.8	158.2	67.4	0	0	112.4
377	Q	26.2	Very low	29.8	Very low	198 Å²	198	142.8 Å²	142.8	93%	0.925	84%	0.844	S	S	*	*			trans	-97.4	146.3	167.7	-75	172.4	-46	0	0	108.7
378	A	29.4	Very low	28.9	Very low	105 Å²	105	143.4 Å²	143.4	87%	0.868	85%	0.848	S	S	*	*			trans	-139.7	134	157.4	0	0	0	0	0	108.4
379	A	26.2	Very low	28.9	Very low	99 Å²	99	144.8 Å²	144.8	82%	0.818	85%	0.849	S	S	*	*			trans	-123.9	130.2	177.6	0	0	0	0	0	108.9
380	V	28.9	Very low	28.8	Very low	149 Å²	149	145.7 Å²	145.7	90%	0.903	86%	0.856	S	S	*	*			trans	-145.1	142.8	168.1	-171.6	0	0	0	0	107.8
381	A	30.2	Very low	28.8	Very low	85 Å²	85	145.4 Å²	145.4	70%	0.702	85%	0.853	S	S	*	*			trans	-140.8	179.6	176	0	0	0	0	0	108.3
382	P	33	Very low	28.9	Very low	130 Å²	130	150.5 Å²	150.5	84%	0.844	86%	0.857	S	S	*	*				-113.4	179.4	-50.5	36.5	-24.9	0	0	0	110.5
383	A	28.8	Very low	28.8	Very low	103 Å²	103	147.6 Å²	147.6	85%	0.851	85%	0.854	S	S	*	*			trans	-143.3	155.2	171.4	0	0	0	0	0	112.2
384	E	28.6	Very low	29.1	Very low	193 Å²	193	142 Å²	142	90%	0.902	83%	0.834	S	S	*	*			trans	-69.9	159.9	-157.5	-68.7	158.9	114.3	0	0	118.1
385	E	27.8	Very low	29.6	Very low	186 Å²	186	138.5 Å²	138.5	87%	0.869	83%	0.834	S	S	*	*			trans	-78.3	155	168.2	-57.4	176.4	137.5	0	0	112.8
386	P	30.8	Very low	30.8	Very low	124 Å²	124	142.7 Å²	142.7	81%	0.805	84%	0.835	S	S	*	*			trans	-114.8	140.6	151.4	33.5	-23.2	0	0	0	112.7
387	Q	29.8	Very low	32.1	Very low	186 Å²	186	135.2 Å²	135.2	87%	0.869	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.8	158.6	177.5	-80.1	-178	-16.8	0	0	113.8
388	P	31.7	Very low	33.2	Very low	125 Å²	125	129.2 Å²	129.2	81%	0.812	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-86.8	156.3	-166.1	34.5	-36.9	0	0	0	115.1
389	Q	28.4	Very low	33.5	Very low	194 Å²	194	127.8 Å²	127.8	91%	0.907	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-95.2	146.3	163.5	-71.7	-177.7	-12.8	0	0	110.7
390	A	28.8	Very low	33.7	Very low	108 Å²	108	132.6 Å²	132.6	89%	0.893	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-76.6	144.6	-175.5	0	0	0	0	0	113.1
391	A	29.4	Very low	34	Very low	101 Å²	101	130.5 Å²	130.5	84%	0.835	78%	0.778	S	S	*	*			trans	-136.1	151.1	167.6	0	0	0	0	0	109.6
392	E	30.1	Very low	34.1	Very low	184 Å²	184	132.2 Å²	132.2	86%	0.86	79%	0.785	S	S	*	*			trans	-69.7	152.9	-174.7	-62.9	177.5	143.7	0	0	112.5	T394	E392-T394 PolarHBondContact O-N 3.48Å
393	P	28.3	Very low	34.1	Very low	133 Å²	133	130.8 Å²	130.8	86%	0.864	79%	0.785	S	S	*	*			trans	-80	108.9	-172.1	30.8	-34.2	0	0	0	112.7
394	T	33.7	Very low	34.1	Very low	88 Å²	88	130.8 Å²	130.8	54%	0.54	79%	0.785	S	S	.	*			trans	-85	142.4	151.2	59.1	0	0	0	0	109.8	E392 R396	E392-T394 PolarHBondContact O-N 3.48Å; T394-R396 PolarHBondContact O-N 2.65Å
395	S	38.3	Very low	34.2	Very low	118 Å²	118	128.6 Å²	128.6	83%	0.825	78%	0.778	S	S	*	*			trans	-75.6	85.7	-173.8	175.1	0	0	0	0	112
396	R	49.3	Very low	34.3	Very low	185 Å²	185	127.8 Å²	127.8	70%	0.698	77%	0.774	S	S	*	*			trans	-77.9	146.9	175.7	-64.8	178.2	179.2	164.2	2.1	111.9	T394 N398	T394-R396 PolarHBondContact O-N 2.65Å; R396-N398 PolarHBondContact O-N 2.65Å
397	C	57	Low	34.3	Very low	45 Å²	45	128.5 Å²	128.5	30%	0.304	78%	0.776	S	S	.	*	S	Bend	trans	-82.8	-4	-168.7	-66.2	0	0	0	0	116.3	F247	F247-C397 VanDerWaalsContact CD2-SG 3.59Å; F247-C397 VanDerWaalsContact CE2-SG 3.59Å
398	N	48.5	Very low	34.4	Very low	72 Å²	72	124.6 Å²	124.6	39%	0.385	78%	0.776	S	S	.	*	S	Bend	trans	-96.4	116.7	178.7	-65.4	-9.5	0	0	0	109.8	A242 R396	A242-N398 PolarHBondContact O-ND2 3.25Å; R396-N398 PolarHBondContact O-N 2.65Å
399	G	36.7	Very low	34.2	Very low	76 Å²	76	122.4 Å²	122.4	78%	0.784	78%	0.776	S	S	*	*			trans	-96	149.9	-162.9	0	0	0	0	0	116.4
400	E	30.4	Very low	34.7	Very low	200 Å²	200	122.9 Å²	122.9	94%	0.935	78%	0.778	S	S	*	*			trans	-108.3	122.4	155.2	-72.3	-171.1	137.8	0	0	109.3
401	A	33.7	Very low	35	Very low	104 Å²	104	122.6 Å²	122.6	86%	0.86	78%	0.776	S	S	*	*			trans	-100.2	99.1	172.3	0	0	0	0	0	109.6	A403	A401-A403 PolarHBondContact O-N 3.36Å
402	S	32.3	Very low	35.5	Very low	122 Å²	122	123.9 Å²	123.9	85%	0.853	77%	0.773	S	S	*	*			trans	-75	121.2	178.2	-171.4	0	0	0	0	111.4
403	A	33.7	Very low	36.1	Very low	100 Å²	100	122 Å²	122	83%	0.826	77%	0.769	S	S	*	*			trans	-86.4	129.8	174.9	0	0	0	0	0	111	A401	A401-A403 PolarHBondContact O-N 3.36Å
404	A	29.5	Very low	37.1	Very low	103 Å²	103	123 Å²	123	85%	0.851	76%	0.762	S	S	*	*			trans	-127.8	121.3	168.9	0	0	0	0	0	109.9
405	L	29.7	Very low	37.7	Very low	147 Å²	147	126.9 Å²	126.9	77%	0.77	77%	0.774	S	S	*	*			trans	-141.7	140.3	-179.4	-128.3	164.9	0	0	0	109.5
406	H	30.9	Very low	38.1	Very low	168 Å²	168	128.7 Å²	128.7	78%	0.778	81%	0.811	S	S	*	*			trans	70.8	134.9	-178.2	-59.4	-66.9	0	0	0	115.6
407	T	29.4	Very low	37.5	Very low	140 Å²	140	125.9 Å²	125.9	86%	0.859	82%	0.817	S	S	*	*			cis	-141.4	164.7	45.6	36.9	0	0	0	0	115.3
408	A	32.4	Very low	36.5	Very low	104 Å²	104	130.1 Å²	130.1	86%	0.86	84%	0.844	S	S	*	*			trans	-81	159.9	177.4	0	0	0	0	0	113.1
409	G	28.7	Very low	35.8	Very low	78 Å²	78	133.3 Å²	133.3	80%	0.804	87%	0.869	S	S	*	*			trans	-152.1	113.1	166.7	0	0	0	0	0	109.9
410	E	37.5	Very low	35.8	Very low	205 Å²	205	136.7 Å²	136.7	96%	0.958	87%	0.874	S	S	*	*			trans	-71.9	143.8	171	-66.4	168.1	115.4	0	0	110.2
411	A	35.3	Very low	36.1	Very low	102 Å²	102	132.8 Å²	132.8	84%	0.843	87%	0.87	S	S	*	*			trans	-148.5	116	160.4	0	0	0	0	0	109.6
412	T	40.9	Very low	36.3	Very low	128 Å²	128	134.7 Å²	134.7	79%	0.785	87%	0.871	S	S	*	*			trans	-81.2	157.5	165.5	48.2	0	0	0	0	111
413	D	42.2	Very low	36.6	Very low	143 Å²	143	135.6 Å²	135.6	77%	0.765	87%	0.873	S	S	*	*			trans	130.4	110	154.6	-68.7	1.7	0	0	0	109.9
414	E	48.1	Very low	36.8	Very low	155 Å²	155	138.3 Å²	138.3	72%	0.724	88%	0.876	S	S	*	*				91.1	129.5	68.4	-105.5	-143.7	105	0	0	113.9
415	Q	48.1	Very low	37.4	Very low	170 Å²	170	141.3 Å²	141.3	79%	0.794	88%	0.878	S	S	*	*			trans	73.3	126.9	160	-59.2	173.7	25.8	0	0	119.2
416	G	45.8	Very low	38.1	Very low	155 Å²	155	140.7 Å²	140.7	100%	1.598	89%	0.888	S	S	*	*			trans	159.3	0	179.2	0	0	0	0	0	111.9

Retrieved 416 of 416 residues in 260 ms (Link to these results)

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