A0A077ZAI6_TRITR Loading...

Protein-serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A077ZAI6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 280 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	50.1	Low	66.8	Low	88 Å²	88	105.9 Å²	105.9	43%	0.433	56%	0.562	S	S	.	*				0	-29.3	0	-93.7	-174	-68	0	0	115.3	E3 I4 E5 H84 F88	M1-E3 PolarHBondContact O-N 3.47Å; M1-I4 HydrophobicContact CG-CD1 3.87Å; M1-I4 HydrophobicContact CG-CG1 4.29Å; M1-I4 PolarHBondContact O-N 3.42Å; M1-E5 PolarHBondContact O-N 2.8Å; M1-H84 WeakPolarHBondContact CE-ND1 3.19Å; M1-F88 HydrophobicContact CB-CZ 4.12Å; M1-F88 HydrophobicContact CE-CD2 3.88Å; M1-F88 HydrophobicContact CE-CE2 3.34Å; M1-F88 HydrophobicContact CE-CZ 4.02Å; M1-F88 HydrophobicContact CG-CE2 4.47Å; M1-F88 HydrophobicContact CG-CZ 4.23Å; M1-F88 HydrophobicContact SD-CD1 4.34Å; M1-F88 HydrophobicContact SD-CD2 3.63Å; M1-F88 HydrophobicContact SD-CE1 3.9Å; M1-F88 HydrophobicContact SD-CE2 3.14Å; M1-F88 WeakPolarHBondContact SD-CE2 3.39Å; M1-F88 HydrophobicContact SD-CG 4.24Å; M1-F88 HydrophobicContact SD-CZ 3.28Å; M1-F88 WeakPolarHBondContact SD-CZ 3.5Å
2	K	48.6	Very low	67.3	Low	183 Å²	183	101.8 Å²	101.8	80%	0.796	54%	0.54	S	S	*	.	H	α-helix	trans	-49.1	-39.1	159.4	-82.8	-172.7	174.7	-177.8	0	110.8	I4 E5 C6	K2-I4 VanDerWaalsContact C-N 3.32Å; K2-I4 PolarHBondContact O-N 3.4Å; K2-E5 PolarHBondContact O-N 3.04Å; K2-C6 WeakPolarHBondContact O-CB 3.49Å; K2-C6 PolarHBondContact O-N 2.87Å; K2-C6 PolarHBondContact O-SG 2.91Å
3	E	59	Low	67.9	Low	161 Å²	161	100.5 Å²	100.5	75%	0.752	53%	0.533	S	S	*	.	H	α-helix	trans	-60.5	-31.3	173.7	-67.6	173.9	167.1	0	0	115.3	M1 C6 L7	M1-E3 PolarHBondContact O-N 3.47Å; E3-C6 PolarHBondContact O-N 3.46Å; E3-L7 PolarHBondContact O-N 3.37Å
4	I	60.4	Low	69.1	Low	57 Å²	57	96.1 Å²	96.1	29%	0.292	51%	0.512	S	S	.	.	H	α-helix	trans	-74.3	-44.1	177.2	-61.1	-174.1	0	0	0	109.4	M1 K2 C6 L7 L12 L17	M1-I4 HydrophobicContact CG-CD1 3.87Å; M1-I4 HydrophobicContact CG-CG1 4.29Å; M1-I4 PolarHBondContact O-N 3.42Å; K2-I4 VanDerWaalsContact C-N 3.32Å; K2-I4 PolarHBondContact O-N 3.4Å; I4-C6 PolarHBondContact O-N 2.7Å; I4-L7 HydrophobicContact CG2-CD1 4.17Å; I4-L7 VanDerWaalsContact O-CB 3.24Å; I4-L7 WeakPolarHBondContact O-CB 3.45Å; I4-L7 WeakPolarHBondContact O-CG 3.46Å; I4-L7 PolarHBondContact O-N 3.42Å; I4-L12 HydrophobicContact CG2-CD2 4.15Å; I4-L12 WeakPolarHBondContact O-CD2 3.46Å; I4-L17 HydrophobicContact CG2-CD1 4.37Å; I4-L17 HydrophobicContact CG2-CD2 4.17Å
5	E	65.2	Low	70.3	Confident	114 Å²	114	102 Å²	102	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-22	174.4	-67.3	178.6	172.7	0	0	112.6	M1 K2 L7	M1-E5 PolarHBondContact O-N 2.8Å; K2-E5 PolarHBondContact O-N 3.04Å; E5-L7 VanDerWaalsContact C-N 3.35Å
6	C	70.8	Confident	71.4	Confident	104 Å²	104	103.8 Å²	103.8	70%	0.703	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.5	171.5	-65.1	0	0	0	0	113.9	K2 E3 I4	K2-C6 WeakPolarHBondContact O-CB 3.49Å; K2-C6 PolarHBondContact O-N 2.87Å; K2-C6 PolarHBondContact O-SG 2.91Å; E3-C6 PolarHBondContact O-N 3.46Å; I4-C6 PolarHBondContact O-N 2.7Å
7	L	71.7	Confident	72.2	Confident	57 Å²	57	99.6 Å²	99.6	30%	0.298	51%	0.509	S	S	.	.	S	Bend	trans	-65.1	142.1	173.1	-70.2	170.7	0	0	0	109.4	E3 I4 E5 E9 L11 L12 L17	E3-L7 PolarHBondContact O-N 3.37Å; I4-L7 HydrophobicContact CG2-CD1 4.17Å; I4-L7 VanDerWaalsContact O-CB 3.24Å; I4-L7 WeakPolarHBondContact O-CB 3.45Å; I4-L7 WeakPolarHBondContact O-CG 3.46Å; I4-L7 PolarHBondContact O-N 3.42Å; E5-L7 VanDerWaalsContact C-N 3.35Å; L7-E9 PolarHBondContact O-N 2.85Å; L7-L11 HydrophobicContact CB-CB 4.21Å; L7-L11 HydrophobicContact CD2-CD1 4.23Å; L7-L12 HydrophobicContact CB-CD2 4.35Å; L7-L12 HydrophobicContact CB-CG 4.14Å; L7-L12 WeakPolarHBondContact O-CD1 3.39Å; L7-L17 HydrophobicContact CD1-CD1 4.32Å; L7-L17 HydrophobicContact CD1-CD2 3.79Å
8	P	78.1	Confident	72.8	Confident	82 Å²	82	101.6 Å²	101.6	53%	0.532	51%	0.509	S	S	.	.			trans	-47.1	142.3	168.9	-27.2	31.4	0	0	0	111.7	A10 L11 L12	P8-A10 PolarHBondContact O-N 3.23Å; P8-L11 HydrophobicContact CG-CD1 4.38Å; P8-L11 WeakPolarHBondContact O-CA 3.49Å; P8-L11 WeakPolarHBondContact O-CB 3.23Å; P8-L11 PolarHBondContact O-N 3.19Å; P8-L12 PolarHBondContact O-N 3.07Å; P8-L12 VanDerWaalsContact O-N 3.11Å
9	E	76.3	Confident	73.6	Confident	151 Å²	151	99.8 Å²	99.8	71%	0.706	50%	0.501	S	S	*	.	H	α-helix	trans	-55	-31	-176.9	-167	175.2	-170	0	0	113.1	L7 L11 L12 N13	L7-E9 PolarHBondContact O-N 2.85Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.45Å; E9-L12 PolarHBondContact O-N 2.85Å; E9-N13 PolarHBondContact O-N 2.88Å; E9-N13 PolarHBondContact O-ND2 2.74Å; E9-N13 VanDerWaalsContact O-ND2 3.17Å
10	A	78.5	Confident	74.3	Confident	83 Å²	83	99 Å²	99	69%	0.686	50%	0.501	S	S	*	.	H	α-helix	trans	-60.8	-36	173.4	0	0	0	0	0	113.2	P8 T14	P8-A10 PolarHBondContact O-N 3.23Å; A10-T14 WeakPolarHBondContact O-CG2 3.46Å
11	L	75.9	Confident	74.9	Confident	85 Å²	85	96.1 Å²	96.1	45%	0.445	49%	0.489	S	S	.	.	H	α-helix	trans	-82.8	-37.2	177.5	-71.9	174.6	0	0	0	111.8	L7 P8 E9 N13 T14 L17	L7-L11 HydrophobicContact CB-CB 4.21Å; L7-L11 HydrophobicContact CD2-CD1 4.23Å; P8-L11 HydrophobicContact CG-CD1 4.38Å; P8-L11 WeakPolarHBondContact O-CA 3.49Å; P8-L11 WeakPolarHBondContact O-CB 3.23Å; P8-L11 PolarHBondContact O-N 3.19Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.45Å; L11-N13 PolarHBondContact O-N 3.42Å; L11-N13 VanDerWaalsContact O-N 3.16Å; L11-T14 HydrophobicContact CD2-CG2 4.3Å; L11-T14 WeakPolarHBondContact O-CB 3.27Å; L11-T14 PolarHBondContact O-N 3.16Å; L11-T14 VanDerWaalsContact O-N 3.07Å; L11-T14 PolarHBondContact O-OG1 3.3Å; L11-L17 WeakPolarHBondContact O-CD2 3.36Å
12	L	73.4	Confident	76.6	Confident	57 Å²	57	98.9 Å²	98.9	30%	0.298	49%	0.494	S	S	.	.	H	α-helix	trans	-55.9	-31.6	176.4	-80.4	173.7	0	0	0	113.3	I4 L7 P8 E9 L17	I4-L12 HydrophobicContact CG2-CD2 4.15Å; I4-L12 WeakPolarHBondContact O-CD2 3.46Å; L7-L12 HydrophobicContact CB-CD2 4.35Å; L7-L12 HydrophobicContact CB-CG 4.14Å; L7-L12 WeakPolarHBondContact O-CD1 3.39Å; P8-L12 PolarHBondContact O-N 3.07Å; P8-L12 VanDerWaalsContact O-N 3.11Å; E9-L12 PolarHBondContact O-N 2.85Å; L12-L17 HydrophobicContact CD2-CD2 4.22Å
13	N	74.9	Confident	78.6	Confident	84 Å²	84	97.6 Å²	97.6	45%	0.449	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	1.9	-178.2	-70.2	-45.6	0	0	0	114.6	E9 L11 R18	E9-N13 PolarHBondContact O-N 2.88Å; E9-N13 PolarHBondContact O-ND2 2.74Å; E9-N13 VanDerWaalsContact O-ND2 3.17Å; L11-N13 PolarHBondContact O-N 3.42Å; L11-N13 VanDerWaalsContact O-N 3.16Å; N13-R18 PolarHBondContact OD1-NH2 3.47Å
14	T	84.7	Confident	80.2	Confident	40 Å²	40	94.3 Å²	94.3	25%	0.245	47%	0.468	C	S	.	.			trans	-62.6	141.3	174.1	57.6	0	0	0	0	110.6	A10 L11 E16 L17 R18	A10-T14 WeakPolarHBondContact O-CG2 3.46Å; L11-T14 HydrophobicContact CD2-CG2 4.3Å; L11-T14 WeakPolarHBondContact O-CB 3.27Å; L11-T14 PolarHBondContact O-N 3.16Å; L11-T14 VanDerWaalsContact O-N 3.07Å; L11-T14 PolarHBondContact O-OG1 3.3Å; T14-E16 WeakPolarHBondContact CB-OE2 3.44Å; T14-E16 PolarHBondContact O-N 3.01Å; T14-L17 PolarHBondContact O-N 3.17Å; T14-L17 WeakPolarHBondContact OG1-CB 3.28Å; T14-L17 PolarHBondContact OG1-N 3.31Å; T14-R18 WeakPolarHBondContact O-CG 3.43Å; T14-R18 PolarHBondContact O-N 2.91Å
15	R	87.3	Confident	81.6	Confident	184 Å²	184	92.1 Å²	92.1	69%	0.694	46%	0.458	S	S	*	.	H	α-helix	trans	-61.2	-41.3	177.6	177	179.2	174.6	179.7	0.5	110.2	L17 R18 D19	R15-L17 PolarHBondContact O-N 3.42Å; R15-R18 PolarHBondContact O-N 3.32Å; R15-D19 WeakPolarHBondContact CG-OD2 3.29Å; R15-D19 IonicContact NE-OD2 3.47Å; R15-D19 PolarHBondContact NE-OD2 3.11Å; R15-D19 WeakPolarHBondContact O-CB 3.29Å; R15-D19 VanDerWaalsContact O-CG 3.29Å; R15-D19 PolarHBondContact O-N 2.91Å
16	E	87	Confident	82.8	Confident	131 Å²	131	92.2 Å²	92.2	61%	0.612	46%	0.458	S	S	*	.	H	α-helix	trans	-57.7	-48.2	-179.7	-63.3	73.9	-163.9	0	0	111	T14 D19 V20	T14-E16 WeakPolarHBondContact CB-OE2 3.44Å; T14-E16 PolarHBondContact O-N 3.01Å; E16-D19 PolarHBondContact O-N 2.77Å; E16-V20 WeakPolarHBondContact O-CB 3.36Å; E16-V20 VanDerWaalsContact O-CG2 3.27Å; E16-V20 WeakPolarHBondContact O-CG2 3.08Å; E16-V20 PolarHBondContact O-N 3.48Å
17	L	85.7	Confident	83.8	Confident	33 Å²	33	89.6 Å²	89.6	17%	0.173	44%	0.439	C	S	.	.	H	α-helix	trans	-67	-39.5	178.9	-175.8	68.3	0	0	0	112.3	I4 L7 L11 L12 T14 R15 D19 T21	I4-L17 HydrophobicContact CG2-CD1 4.37Å; I4-L17 HydrophobicContact CG2-CD2 4.17Å; L7-L17 HydrophobicContact CD1-CD1 4.32Å; L7-L17 HydrophobicContact CD1-CD2 3.79Å; L11-L17 WeakPolarHBondContact O-CD2 3.36Å; L12-L17 HydrophobicContact CD2-CD2 4.22Å; T14-L17 PolarHBondContact O-N 3.17Å; T14-L17 WeakPolarHBondContact OG1-CB 3.28Å; T14-L17 PolarHBondContact OG1-N 3.31Å; R15-L17 PolarHBondContact O-N 3.42Å; L17-D19 VanDerWaalsContact C-N 3.35Å; L17-T21 VanDerWaalsContact O-CB 3.29Å; L17-T21 WeakPolarHBondContact O-CB 3.24Å; L17-T21 PolarHBondContact O-N 2.89Å; L17-T21 PolarHBondContact O-OG1 3.49Å
18	R	83.2	Confident	84.8	Confident	135 Å²	135	87.6 Å²	87.6	51%	0.509	43%	0.429	S	S	.	.	H	α-helix	trans	-63.4	-42.7	176	-71.1	177.5	178.5	-174.9	1.7	111.2	N13 T14 R15 T21 R22	N13-R18 PolarHBondContact OD1-NH2 3.47Å; T14-R18 WeakPolarHBondContact O-CG 3.43Å; T14-R18 PolarHBondContact O-N 2.91Å; R15-R18 PolarHBondContact O-N 3.32Å; R18-T21 PolarHBondContact O-N 3.29Å; R18-R22 WeakPolarHBondContact O-CB 3.32Å; R18-R22 PolarHBondContact O-N 3.37Å
19	D	87.1	Confident	85.3	Confident	67 Å²	67	89 Å²	89	36%	0.358	42%	0.424	S	S	.	.	H	α-helix	trans	-66.8	-44.4	178.9	-72.2	-17.4	0	0	0	110.9	R15 E16 L17 R22 W23	R15-D19 WeakPolarHBondContact CG-OD2 3.29Å; R15-D19 IonicContact NE-OD2 3.47Å; R15-D19 PolarHBondContact NE-OD2 3.11Å; R15-D19 WeakPolarHBondContact O-CB 3.29Å; R15-D19 VanDerWaalsContact O-CG 3.29Å; R15-D19 PolarHBondContact O-N 2.91Å; E16-D19 PolarHBondContact O-N 2.77Å; L17-D19 VanDerWaalsContact C-N 3.35Å; D19-R22 PolarHBondContact O-N 2.91Å; D19-R22 IonicContact OD1-NH1 2.85Å; D19-W23 VanDerWaalsContact O-CB 3.23Å; D19-W23 WeakPolarHBondContact O-CB 3.33Å; D19-W23 PolarHBondContact O-N 3.24Å
20	V	88.9	Confident	86	Confident	84 Å²	84	87.8 Å²	87.8	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-43.7	175.1	171.8	0	0	0	0	111.7	E16 W23 F24	E16-V20 WeakPolarHBondContact O-CB 3.36Å; E16-V20 VanDerWaalsContact O-CG2 3.27Å; E16-V20 WeakPolarHBondContact O-CG2 3.08Å; E16-V20 PolarHBondContact O-N 3.48Å; V20-W23 PolarHBondContact O-N 2.86Å; V20-F24 VanDerWaalsContact O-CB 3.28Å; V20-F24 WeakPolarHBondContact O-CB 3.32Å; V20-F24 PolarHBondContact O-N 3.43Å
21	T	85.9	Confident	86.7	Confident	39 Å²	39	86.4 Å²	86.4	24%	0.239	40%	0.398	C	S	.	.	H	α-helix	trans	-65.5	-41.5	179.9	-56.9	0	0	0	0	111.5	L17 R18 S25	L17-T21 VanDerWaalsContact O-CB 3.29Å; L17-T21 WeakPolarHBondContact O-CB 3.24Å; L17-T21 PolarHBondContact O-N 2.89Å; L17-T21 PolarHBondContact O-OG1 3.49Å; R18-T21 PolarHBondContact O-N 3.29Å; T21-S25 VanDerWaalsContact O-CB 3.29Å; T21-S25 WeakPolarHBondContact O-CB 3.43Å; T21-S25 PolarHBondContact O-N 3.28Å; T21-S25 PolarHBondContact O-OG 3.16Å
22	R	87	Confident	87.4	Confident	145 Å²	145	83.3 Å²	83.3	55%	0.547	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-51.7	174.6	-177.2	-176.6	-65.8	134.3	-2	110.7	R18 D19 F24 S25 E26	R18-R22 WeakPolarHBondContact O-CB 3.32Å; R18-R22 PolarHBondContact O-N 3.37Å; D19-R22 PolarHBondContact O-N 2.91Å; D19-R22 IonicContact OD1-NH1 2.85Å; R22-F24 VanDerWaalsContact C-N 3.33Å; R22-F24 PolarHBondContact O-N 2.95Å; R22-S25 PolarHBondContact O-N 3.49Å; R22-S25 VanDerWaalsContact O-N 3.16Å; R22-E26 HydrophobicContact CG-CG 4.41Å; R22-E26 VanDerWaalsContact CG-OE1 3.29Å; R22-E26 WeakPolarHBondContact CG-OE1 3.28Å; R22-E26 WeakPolarHBondContact O-CG 3.5Å; R22-E26 PolarHBondContact O-N 2.78Å
23	W	90.9	Very high	88.1	Confident	157 Å²	157	85 Å²	85	60%	0.595	39%	0.386	S	S	*	.	H	α-helix	trans	-55.7	-46.1	178.2	168.3	79.2	0	0	0	112.1	D19 V20 E26 T27	D19-W23 VanDerWaalsContact O-CB 3.23Å; D19-W23 WeakPolarHBondContact O-CB 3.33Å; D19-W23 PolarHBondContact O-N 3.24Å; V20-W23 PolarHBondContact O-N 2.86Å; W23-E26 PolarHBondContact O-N 3.02Å; W23-T27 VanDerWaalsContact O-CB 3.32Å; W23-T27 WeakPolarHBondContact O-CB 3.43Å; W23-T27 PolarHBondContact O-N 3.2Å; W23-T27 PolarHBondContact O-OG1 3.48Å
24	F	91.6	Very high	89	Confident	92 Å²	92	87.7 Å²	87.7	40%	0.404	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-45.7	177.9	179.7	-102.1	0	0	0	111.2	V20 R22 T27 V28 H84	V20-F24 VanDerWaalsContact O-CB 3.28Å; V20-F24 WeakPolarHBondContact O-CB 3.32Å; V20-F24 PolarHBondContact O-N 3.43Å; R22-F24 VanDerWaalsContact C-N 3.33Å; R22-F24 PolarHBondContact O-N 2.95Å; F24-T27 WeakPolarHBondContact O-CB 3.14Å; F24-T27 PolarHBondContact O-N 3.1Å; F24-V28 HydrophobicContact CD1-CG2 4.15Å; F24-V28 HydrophobicContact CD2-CG2 4.43Å; F24-V28 HydrophobicContact CE1-CG2 3.72Å; F24-V28 HydrophobicContact CE2-CG2 4.03Å; F24-V28 HydrophobicContact CG-CG2 4.49Å; F24-V28 HydrophobicContact CZ-CG2 3.65Å; F24-V28 WeakPolarHBondContact O-CG2 3.29Å; F24-V28 PolarHBondContact O-N 2.74Å; F24-H84 AromaticContact CD1-CE1 3.43Å; F24-H84 VanDerWaalsContact CD1-CE1 3.43Å; F24-H84 WeakPolarHBondContact CD1-CE1 3.4Å; F24-H84 AromaticContact CD1-NE2 3.61Å; F24-H84 AromaticContact CE1-CE1 3.4Å; F24-H84 WeakPolarHBondContact CE1-CE1 2.93Å; F24-H84 AromaticContact CE1-ND1 3.61Å; F24-H84 AromaticContact CE1-NE2 3.79Å
25	S	89.8	Confident	89.3	Confident	11 Å²	11	88.7 Å²	88.7	8%	0.077	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-42.3	-180	-60.9	0	0	0	0	112.7	T21 R22 V28 R29 H84	T21-S25 VanDerWaalsContact O-CB 3.29Å; T21-S25 WeakPolarHBondContact O-CB 3.43Å; T21-S25 PolarHBondContact O-N 3.28Å; T21-S25 PolarHBondContact O-OG 3.16Å; R22-S25 PolarHBondContact O-N 3.49Å; R22-S25 VanDerWaalsContact O-N 3.16Å; S25-V28 PolarHBondContact O-N 3.5Å; S25-R29 WeakPolarHBondContact O-CB 3.38Å; S25-R29 PolarHBondContact O-N 2.86Å; S25-H84 PolarHBondContact OG-NE2 3.48Å
26	E	89.8	Confident	89.4	Confident	115 Å²	115	83.1 Å²	83.1	54%	0.537	38%	0.381	S	S	.	.	H	α-helix	trans	-64.1	-40.6	173.8	-73.1	171.9	-176.9	0	0	111.7	R22 W23 R29 H30	R22-E26 HydrophobicContact CG-CG 4.41Å; R22-E26 VanDerWaalsContact CG-OE1 3.29Å; R22-E26 WeakPolarHBondContact CG-OE1 3.28Å; R22-E26 WeakPolarHBondContact O-CG 3.5Å; R22-E26 PolarHBondContact O-N 2.78Å; W23-E26 PolarHBondContact O-N 3.02Å; E26-R29 PolarHBondContact O-N 3.23Å; E26-H30 WeakPolarHBondContact O-CB 3.29Å; E26-H30 PolarHBondContact O-N 2.81Å
27	T	92.7	Very high	89.4	Confident	49 Å²	49	79.5 Å²	79.5	30%	0.301	37%	0.37	S	S	.	.	H	α-helix	trans	-64	-47.6	176.5	-60.5	0	0	0	0	111.4	W23 F24 R29 H30 I31	W23-T27 VanDerWaalsContact O-CB 3.32Å; W23-T27 WeakPolarHBondContact O-CB 3.43Å; W23-T27 PolarHBondContact O-N 3.2Å; W23-T27 PolarHBondContact O-OG1 3.48Å; F24-T27 WeakPolarHBondContact O-CB 3.14Å; F24-T27 PolarHBondContact O-N 3.1Å; T27-R29 VanDerWaalsContact C-N 3.34Å; T27-R29 PolarHBondContact O-N 2.89Å; T27-H30 PolarHBondContact O-N 2.88Å; T27-I31 HydrophobicContact CG2-CD1 3.93Å; T27-I31 VanDerWaalsContact O-CG1 3.29Å; T27-I31 WeakPolarHBondContact O-CG1 3.4Å; T27-I31 PolarHBondContact O-N 2.94Å
28	V	91.9	Very high	89.8	Confident	15 Å²	15	79.1 Å²	79.1	9%	0.091	37%	0.369	C	S	.	.	H	α-helix	trans	-59.6	-45.3	175.9	170.2	0	0	0	0	110.5	F24 S25 H30 I31 Y32 M81 H84 I85	F24-V28 HydrophobicContact CD1-CG2 4.15Å; F24-V28 HydrophobicContact CD2-CG2 4.43Å; F24-V28 HydrophobicContact CE1-CG2 3.72Å; F24-V28 HydrophobicContact CE2-CG2 4.03Å; F24-V28 HydrophobicContact CG-CG2 4.49Å; F24-V28 HydrophobicContact CZ-CG2 3.65Å; F24-V28 WeakPolarHBondContact O-CG2 3.29Å; F24-V28 PolarHBondContact O-N 2.74Å; S25-V28 PolarHBondContact O-N 3.5Å; V28-H30 PolarHBondContact O-N 3.31Å; V28-I31 PolarHBondContact O-N 3.49Å; V28-Y32 WeakPolarHBondContact O-CB 3.19Å; V28-Y32 PolarHBondContact O-N 2.91Å; V28-M81 HydrophobicContact CG1-CB 3.73Å; V28-M81 HydrophobicContact CG1-CG 3.83Å; V28-M81 HydrophobicContact CG1-SD 4.49Å; V28-H84 HydrophobicContact CG1-CB 4.43Å; V28-I85 HydrophobicContact CG1-CD1 4.08Å; V28-I85 HydrophobicContact CG1-CG1 3.93Å
29	R	88.7	Confident	90.1	Very high	112 Å²	112	73.6 Å²	73.6	42%	0.423	35%	0.35	S	S	.	.	H	α-helix	trans	-58.9	-47.7	175.7	-178.3	-177.5	162.5	148.8	2.3	111.7	S25 E26 T27 I31 Y32 F33 I85	S25-R29 WeakPolarHBondContact O-CB 3.38Å; S25-R29 PolarHBondContact O-N 2.86Å; E26-R29 PolarHBondContact O-N 3.23Å; T27-R29 VanDerWaalsContact C-N 3.34Å; T27-R29 PolarHBondContact O-N 2.89Å; R29-I31 PolarHBondContact O-N 3.49Å; R29-Y32 PolarHBondContact O-N 3.27Å; R29-F33 HydrophobicContact CG-CD2 3.76Å; R29-F33 HydrophobicContact CG-CE2 3.62Å; R29-F33 VanDerWaalsContact O-CD2 3.23Å; R29-F33 WeakPolarHBondContact O-CD2 3.32Å; R29-F33 PolarHBondContact O-N 3.4Å; R29-F33 VanDerWaalsContact O-N 3.1Å; R29-I85 HydrophobicContact CB-CD1 4.38Å; R29-I85 HydrophobicContact CB-CG1 4.48Å
30	H	91.4	Very high	90.1	Very high	125 Å²	125	74.8 Å²	74.8	58%	0.579	35%	0.354	S	S	*	.	H	α-helix	trans	-60.1	-44.8	178	175.9	-102.2	0	0	0	111.6	E26 T27 V28 Y32 F33 R34	E26-H30 WeakPolarHBondContact O-CB 3.29Å; E26-H30 PolarHBondContact O-N 2.81Å; T27-H30 PolarHBondContact O-N 2.88Å; V28-H30 PolarHBondContact O-N 3.31Å; H30-Y32 PolarHBondContact O-N 2.93Å; H30-F33 PolarHBondContact O-N 3.31Å; H30-R34 WeakPolarHBondContact O-CB 3.35Å; H30-R34 PolarHBondContact O-N 3.46Å
31	I	93	Very high	90.2	Very high	55 Å²	55	74.6 Å²	74.6	28%	0.282	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-41.9	177	-67.9	170.5	0	0	0	111.3	T27 V28 R29 R34 H35 M81	T27-I31 HydrophobicContact CG2-CD1 3.93Å; T27-I31 VanDerWaalsContact O-CG1 3.29Å; T27-I31 WeakPolarHBondContact O-CG1 3.4Å; T27-I31 PolarHBondContact O-N 2.94Å; V28-I31 PolarHBondContact O-N 3.49Å; R29-I31 PolarHBondContact O-N 3.49Å; I31-R34 PolarHBondContact O-N 3.15Å; I31-H35 PolarHBondContact O-N 2.92Å; I31-H35 PolarHBondContact O-ND1 3.44Å; I31-M81 HydrophobicContact CB-SD 4.21Å; I31-M81 HydrophobicContact CG2-CE 4.44Å; I31-M81 HydrophobicContact CG2-SD 3.66Å
32	Y	90.2	Very high	90.5	Very high	20 Å²	20	74.5 Å²	74.5	8%	0.078	35%	0.352	C	S	.	.	H	α-helix	trans	-58.8	-48.9	178.5	176.5	-93.2	0	0	0	111.8	V28 R29 H30 R78 M81 N82 I85	V28-Y32 WeakPolarHBondContact O-CB 3.19Å; V28-Y32 PolarHBondContact O-N 2.91Å; R29-Y32 PolarHBondContact O-N 3.27Å; H30-Y32 PolarHBondContact O-N 2.93Å; Y32-R78 HydrophobicContact CE2-CB 4.37Å; Y32-R78 HydrophobicContact CE2-CG 4.44Å; Y32-R78 VanDerWaalsContact CZ-NH2 3.28Å; Y32-R78 PolarHBondContact OH-NH2 3.46Å; Y32-M81 HydrophobicContact CD2-CB 4.22Å; Y32-M81 HydrophobicContact CD2-CE 4.42Å; Y32-N82 HydrophobicContact CE2-CB 4.03Å; Y32-I85 HydrophobicContact CD1-CD1 4.28Å; Y32-I85 HydrophobicContact CD2-CD1 4.31Å; Y32-I85 HydrophobicContact CG-CD1 3.87Å
33	F	89.3	Confident	90.5	Very high	92 Å²	92	67.6 Å²	67.6	40%	0.404	33%	0.326	S	S	.	.	H	α-helix	trans	-73.9	-35.1	179.4	-73	-66.2	0	0	0	113.1	R29 H30 H35 S36	R29-F33 HydrophobicContact CG-CD2 3.76Å; R29-F33 HydrophobicContact CG-CE2 3.62Å; R29-F33 VanDerWaalsContact O-CD2 3.23Å; R29-F33 WeakPolarHBondContact O-CD2 3.32Å; R29-F33 PolarHBondContact O-N 3.4Å; R29-F33 VanDerWaalsContact O-N 3.1Å; H30-F33 PolarHBondContact O-N 3.31Å; F33-H35 PolarHBondContact O-N 3.45Å; F33-S36 WeakPolarHBondContact O-CB 3.48Å; F33-S36 PolarHBondContact O-N 2.93Å; F33-S36 VanDerWaalsContact O-N 3.16Å; F33-S36 PolarHBondContact O-OG 3.5Å; F33-S36 VanDerWaalsContact O-OG 3.05Å
34	R	92.8	Very high	90.3	Very high	141 Å²	141	65.4 Å²	65.4	53%	0.532	32%	0.322	S	S	.	.	H	α-helix	trans	-58.3	-30.4	176.1	-179.9	174.1	64.8	81.6	-9.2	113	H30 I31	H30-R34 WeakPolarHBondContact O-CB 3.35Å; H30-R34 PolarHBondContact O-N 3.46Å; I31-R34 PolarHBondContact O-N 3.15Å
35	H	91.9	Very high	90.1	Very high	61 Å²	61	62.9 Å²	62.9	28%	0.282	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	17.2	-178.5	-65.4	101.1	0	0	0	113.9	I31 F33 V38	I31-H35 PolarHBondContact O-N 2.92Å; I31-H35 PolarHBondContact O-ND1 3.44Å; F33-H35 PolarHBondContact O-N 3.45Å; H35-V38 HydrophobicContact CB-CG2 3.71Å; H35-V38 WeakPolarHBondContact O-CG2 3.22Å
36	S	87.6	Confident	90.1	Very high	66 Å²	66	63.4 Å²	63.4	46%	0.462	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-50.2	178	55.9	0	0	0	0	111.3	F33 V38 R74	F33-S36 WeakPolarHBondContact O-CB 3.48Å; F33-S36 PolarHBondContact O-N 2.93Å; F33-S36 VanDerWaalsContact O-N 3.16Å; F33-S36 PolarHBondContact O-OG 3.5Å; F33-S36 VanDerWaalsContact O-OG 3.05Å; S36-V38 VanDerWaalsContact C-N 3.3Å; S36-V38 PolarHBondContact O-N 3.37Å; S36-R74 PolarHBondContact O-NH2 3.34Å
37	S	89	Confident	89.7	Confident	56 Å²	56	59.6 Å²	59.6	39%	0.392	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	9.5	-173.7	67.6	0	0	0	0	115.7	V39 E40 T41	S37-V39 VanDerWaalsContact C-N 3.26Å; S37-V39 PolarHBondContact O-N 3.43Å; S37-E40 WeakPolarHBondContact CA-OE2 3.35Å; S37-E40 PolarHBondContact O-N 3.05Å; S37-T41 WeakPolarHBondContact O-CB 3.29Å; S37-T41 PolarHBondContact O-N 3.46Å; S37-T41 PolarHBondContact O-OG1 3.1Å
38	V	92.3	Very high	89.4	Confident	24 Å²	24	62.2 Å²	62.2	15%	0.145	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-34.3	-173.1	166.9	0	0	0	0	112.5	H35 S36 V42 F70	H35-V38 HydrophobicContact CB-CG2 3.71Å; H35-V38 WeakPolarHBondContact O-CG2 3.22Å; S36-V38 VanDerWaalsContact C-N 3.3Å; S36-V38 PolarHBondContact O-N 3.37Å; V38-V42 HydrophobicContact CG1-CG2 4.32Å; V38-V42 WeakPolarHBondContact O-CB 3.4Å; V38-V42 VanDerWaalsContact O-CG2 3.23Å; V38-V42 WeakPolarHBondContact O-CG2 3.45Å; V38-V42 PolarHBondContact O-N 3.29Å; V38-V42 VanDerWaalsContact O-N 3.07Å; V38-F70 HydrophobicContact CG1-CE1 3.7Å; V38-F70 HydrophobicContact CG1-CZ 3.63Å
39	V	89.9	Confident	89.2	Confident	19 Å²	19	64.1 Å²	64.1	12%	0.115	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-49.5	-179.4	172.2	0	0	0	0	109.5	S37 V42 A43 Y71 Y241 L245	S37-V39 VanDerWaalsContact C-N 3.26Å; S37-V39 PolarHBondContact O-N 3.43Å; V39-V42 PolarHBondContact O-N 3.47Å; V39-A43 VanDerWaalsContact O-CB 3.29Å; V39-A43 WeakPolarHBondContact O-CB 3.39Å; V39-A43 PolarHBondContact O-N 3.15Å; V39-Y71 HydrophobicContact CB-CE1 4.43Å; V39-Y71 HydrophobicContact CG2-CD1 4.26Å; V39-Y71 HydrophobicContact CG2-CE1 3.89Å; V39-Y241 HydrophobicContact CG1-CD1 4.15Å; V39-L245 HydrophobicContact CG1-CD1 3.7Å; V39-L245 HydrophobicContact CG2-CD1 4.29Å
40	E	87.9	Confident	88.9	Confident	93 Å²	93	63 Å²	63	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-49.4	178.8	-60.8	78.9	-177.1	0	0	110.7	S37 V42 A43 E44	S37-E40 WeakPolarHBondContact CA-OE2 3.35Å; S37-E40 PolarHBondContact O-N 3.05Å; E40-V42 PolarHBondContact O-N 3.16Å; E40-A43 PolarHBondContact O-N 3.2Å; E40-E44 WeakPolarHBondContact O-CB 3.36Å; E40-E44 WeakPolarHBondContact O-CG 3.2Å; E40-E44 PolarHBondContact O-N 2.95Å
41	T	90.9	Very high	88.5	Confident	79 Å²	79	60.6 Å²	60.6	49%	0.485	32%	0.324	S	S	.	.	H	α-helix	trans	-61	-41.3	179.9	-57.3	0	0	0	0	112.4	S37 G45	S37-T41 WeakPolarHBondContact O-CB 3.29Å; S37-T41 PolarHBondContact O-N 3.46Å; S37-T41 PolarHBondContact O-OG1 3.1Å; T41-G45 PolarHBondContact O-N 3.45Å
42	V	91.6	Very high	88	Confident	37 Å²	37	61.3 Å²	61.3	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-70	-40.4	176.9	172.8	0	0	0	0	110.9	V38 V39 E40 G45 L46 L67 F70 Y71	V38-V42 HydrophobicContact CG1-CG2 4.32Å; V38-V42 WeakPolarHBondContact O-CB 3.4Å; V38-V42 VanDerWaalsContact O-CG2 3.23Å; V38-V42 WeakPolarHBondContact O-CG2 3.45Å; V38-V42 PolarHBondContact O-N 3.29Å; V38-V42 VanDerWaalsContact O-N 3.07Å; V39-V42 PolarHBondContact O-N 3.47Å; E40-V42 PolarHBondContact O-N 3.16Å; V42-G45 PolarHBondContact O-N 2.83Å; V42-L46 PolarHBondContact O-N 3.29Å; V42-L67 HydrophobicContact CG1-CD2 3.89Å; V42-F70 HydrophobicContact CG2-CE1 3.9Å; V42-F70 HydrophobicContact CG2-CZ 4.11Å; V42-Y71 VanDerWaalsContact CB-OH 3.3Å; V42-Y71 WeakPolarHBondContact CB-OH 3.28Å; V42-Y71 WeakPolarHBondContact CG1-OH 3.41Å
43	A	87.7	Confident	87.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-61.8	-47.9	177.3	0	0	0	0	0	111.8	V39 E40 G45 L46 I47 L239 Y241	V39-A43 VanDerWaalsContact O-CB 3.29Å; V39-A43 WeakPolarHBondContact O-CB 3.39Å; V39-A43 PolarHBondContact O-N 3.15Å; E40-A43 PolarHBondContact O-N 3.2Å; A43-G45 VanDerWaalsContact C-N 3.34Å; A43-G45 PolarHBondContact O-N 3.43Å; A43-L46 PolarHBondContact O-N 2.92Å; A43-I47 WeakPolarHBondContact O-CB 3.23Å; A43-I47 WeakPolarHBondContact O-CG1 3.43Å; A43-I47 PolarHBondContact O-N 3.44Å; A43-L239 HydrophobicContact CB-CB 4.09Å; A43-L239 HydrophobicContact CB-CD1 3.48Å; A43-L239 VanDerWaalsContact CB-CD1 3.48Å; A43-L239 HydrophobicContact CB-CG 4.38Å; A43-Y241 WeakPolarHBondContact CA-OH 3.49Å; A43-Y241 HydrophobicContact CB-CD2 3.9Å; A43-Y241 HydrophobicContact CB-CE1 4.26Å; A43-Y241 HydrophobicContact CB-CE2 3.37Å
44	E	85.7	Confident	86.9	Confident	111 Å²	111	67 Å²	67	52%	0.519	38%	0.381	S	S	.	.	H	α-helix	trans	-56.9	-46.3	172.9	-73.2	176.2	171	0	0	111.4	E40 L46 I47 D48	E40-E44 WeakPolarHBondContact O-CB 3.36Å; E40-E44 WeakPolarHBondContact O-CG 3.2Å; E40-E44 PolarHBondContact O-N 2.95Å; E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 2.81Å; E44-I47 WeakPolarHBondContact O-CB 3.48Å; E44-I47 PolarHBondContact O-N 3.46Å; E44-I47 VanDerWaalsContact O-N 3.12Å; E44-D48 PolarHBondContact O-N 2.81Å
45	G	88.7	Confident	86.3	Confident	40 Å²	40	67.6 Å²	67.6	41%	0.412	39%	0.39	S	S	.	.	H	α-helix	trans	-59.2	-40.1	177.5	0	0	0	0	0	113.8	T41 V42 A43 L49	T41-G45 PolarHBondContact O-N 3.45Å; V42-G45 PolarHBondContact O-N 2.83Å; A43-G45 VanDerWaalsContact C-N 3.34Å; A43-G45 PolarHBondContact O-N 3.43Å; G45-L49 VanDerWaalsContact O-CB 3.3Å; G45-L49 WeakPolarHBondContact O-CB 3.38Å; G45-L49 PolarHBondContact O-N 3.21Å
46	L	87.9	Confident	85.8	Confident	22 Å²	22	66 Å²	66	12%	0.115	38%	0.384	C	S	.	.	H	α-helix	trans	-70	-37.7	174.9	-68.3	-174.7	0	0	0	112.4	V42 A43 E44 L49 K50 L63 L67 Y241	V42-L46 PolarHBondContact O-N 3.29Å; A43-L46 PolarHBondContact O-N 2.92Å; E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 2.81Å; L46-L49 PolarHBondContact O-N 3.4Å; L46-K50 WeakPolarHBondContact O-CB 3.46Å; L46-K50 PolarHBondContact O-N 3.1Å; L46-L63 HydrophobicContact CD1-CD1 4.35Å; L46-L63 HydrophobicContact CD1-CD2 4.48Å; L46-L63 HydrophobicContact CD2-CD1 3.95Å; L46-L67 HydrophobicContact CD1-CD1 3.55Å; L46-L67 HydrophobicContact CD1-CD2 4.32Å; L46-Y241 WeakPolarHBondContact CD1-OH 3.14Å
47	I	83.4	Confident	85.6	Confident	35 Å²	35	66.1 Å²	66.1	18%	0.179	38%	0.383	C	S	.	.	H	α-helix	trans	-62.6	-45.9	177.6	-76	172.8	0	0	0	110.3	A43 E44 K50 S51 L239	A43-I47 WeakPolarHBondContact O-CB 3.23Å; A43-I47 WeakPolarHBondContact O-CG1 3.43Å; A43-I47 PolarHBondContact O-N 3.44Å; E44-I47 WeakPolarHBondContact O-CB 3.48Å; E44-I47 PolarHBondContact O-N 3.46Å; E44-I47 VanDerWaalsContact O-N 3.12Å; I47-K50 PolarHBondContact O-N 2.92Å; I47-S51 WeakPolarHBondContact O-CB 3.3Å; I47-S51 PolarHBondContact O-N 2.89Å; I47-L239 HydrophobicContact CD1-CB 4.49Å; I47-L239 HydrophobicContact CD1-CD2 3.77Å
48	D	86	Confident	85.4	Confident	103 Å²	103	66.5 Å²	66.5	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-66.6	-41.7	177.7	-73.5	-11.9	0	0	0	111.7	E44 K50 S51 G52	E44-D48 PolarHBondContact O-N 2.81Å; D48-K50 VanDerWaalsContact C-N 3.31Å; D48-K50 PolarHBondContact O-N 3.28Å; D48-S51 PolarHBondContact O-N 2.88Å; D48-G52 PolarHBondContact O-N 3.26Å
49	L	86.4	Confident	85.3	Confident	56 Å²	56	68.9 Å²	68.9	29%	0.293	40%	0.396	S	S	.	.	H	α-helix	trans	-60.7	-40.7	176.5	-174.9	61.9	0	0	0	112	G45 L46 R53 L56 P57	G45-L49 VanDerWaalsContact O-CB 3.3Å; G45-L49 WeakPolarHBondContact O-CB 3.38Å; G45-L49 PolarHBondContact O-N 3.21Å; L46-L49 PolarHBondContact O-N 3.4Å; L49-R53 PolarHBondContact O-N 2.93Å; L49-L56 HydrophobicContact CB-CD2 4.01Å; L49-L56 HydrophobicContact CD2-CD2 3.91Å; L49-L56 HydrophobicContact CG-CD2 3.93Å; L49-P57 HydrophobicContact CD1-CG 4.08Å; L49-P57 HydrophobicContact CD2-CG 4.03Å; L49-P57 HydrophobicContact CG-CG 4.18Å
50	K	84.2	Confident	85.1	Confident	89 Å²	89	72.6 Å²	72.6	39%	0.387	41%	0.412	S	S	.	.	H	α-helix	trans	-68.8	-44.3	175.5	-171.3	178.6	179.3	-177.3	0	111.4	L46 I47 D48 G52 R53 G54 L56	L46-K50 WeakPolarHBondContact O-CB 3.46Å; L46-K50 PolarHBondContact O-N 3.1Å; I47-K50 PolarHBondContact O-N 2.92Å; D48-K50 VanDerWaalsContact C-N 3.31Å; D48-K50 PolarHBondContact O-N 3.28Å; K50-G52 PolarHBondContact O-N 3.46Å; K50-R53 PolarHBondContact O-N 2.85Å; K50-G54 CarbonylContact O-C 3.5Å; K50-G54 WeakPolarHBondContact O-CA 3.14Å; K50-G54 PolarHBondContact O-N 3.17Å; K50-L56 HydrophobicContact CB-CD2 3.92Å; K50-L56 HydrophobicContact CB-CG 4.03Å; K50-L56 HydrophobicContact CG-CG 4.34Å
51	S	82.3	Confident	85.2	Confident	73 Å²	73	78.7 Å²	78.7	51%	0.51	43%	0.431	S	S	.	.	H	α-helix	trans	-61.8	-39.4	178.5	-88.9	0	0	0	0	113.3	I47 D48 R53 R227	I47-S51 WeakPolarHBondContact O-CB 3.3Å; I47-S51 PolarHBondContact O-N 2.89Å; D48-S51 PolarHBondContact O-N 2.88Å; S51-R53 VanDerWaalsContact C-N 3.34Å; S51-R53 PolarHBondContact O-N 3.36Å; S51-R227 PolarHBondContact OG-NH2 2.76Å
52	G	83.1	Confident	85.3	Confident	70 Å²	70	80.8 Å²	80.8	72%	0.722	44%	0.435	S	S	*	.	H	α-helix	trans	-74.2	-20.9	-179	0	0	0	0	0	114.6	D48 K50	D48-G52 PolarHBondContact O-N 3.26Å; K50-G52 PolarHBondContact O-N 3.46Å
53	R	78.2	Confident	85.3	Confident	174 Å²	174	79.3 Å²	79.3	66%	0.657	43%	0.426	S	S	*	.	H	α-helix	trans	-122.9	-3.2	-172.4	-64.6	-172	178.7	-156.9	0.7	114.9	L49 K50 S51 E55	L49-R53 PolarHBondContact O-N 2.93Å; K50-R53 PolarHBondContact O-N 2.85Å; S51-R53 VanDerWaalsContact C-N 3.34Å; S51-R53 PolarHBondContact O-N 3.36Å; R53-E55 WeakPolarHBondContact CB-O 3.23Å; R53-E55 PolarHBondContact O-N 2.87Å
54	G	77	Confident	85.5	Confident	57 Å²	57	80.4 Å²	80.4	59%	0.588	43%	0.431	S	S	*	.	S	Bend	trans	77.3	-43.6	-173	0	0	0	0	0	112.9	K50	K50-G54 CarbonylContact O-C 3.5Å; K50-G54 WeakPolarHBondContact O-CA 3.14Å; K50-G54 PolarHBondContact O-N 3.17Å
55	E	80.2	Confident	86	Confident	154 Å²	154	82 Å²	82	72%	0.72	43%	0.433	S	S	*	.	S	Bend	trans	-129	157.9	173.7	-67.1	-173.1	170.9	0	0	111.5	R53	R53-E55 WeakPolarHBondContact CB-O 3.23Å; R53-E55 PolarHBondContact O-N 2.87Å
56	L	82.4	Confident	86.2	Confident	28 Å²	28	85.8 Å²	85.8	15%	0.147	44%	0.439	C	S	.	.			trans	-72.1	131.2	174.7	-72.1	167.4	0	0	0	109.1	L49 K50 I58 L63 H221	L49-L56 HydrophobicContact CB-CD2 4.01Å; L49-L56 HydrophobicContact CD2-CD2 3.91Å; L49-L56 HydrophobicContact CG-CD2 3.93Å; K50-L56 HydrophobicContact CB-CD2 3.92Å; K50-L56 HydrophobicContact CB-CG 4.03Å; K50-L56 HydrophobicContact CG-CG 4.34Å; L56-I58 PolarHBondContact O-N 3.36Å; L56-L63 HydrophobicContact CD1-CD2 3.62Å; L56-H221 HydrophobicContact CD1-CB 3.89Å
57	P	82.2	Confident	86.6	Confident	68 Å²	68	84.9 Å²	84.9	44%	0.442	43%	0.434	S	S	.	.	S	Bend	trans	-74.4	17.9	-179.8	33.5	-37	0	0	0	113	L49	L49-P57 HydrophobicContact CD1-CG 4.08Å; L49-P57 HydrophobicContact CD2-CG 4.03Å; L49-P57 HydrophobicContact CG-CG 4.18Å
58	I	85.6	Confident	87.2	Confident	65 Å²	65	84.5 Å²	84.5	33%	0.333	43%	0.432	S	S	.	.	S	Bend	trans	-127.9	125.8	-174	-55.3	171.6	0	0	0	107.7	L56 H60 Q62 L63	L56-I58 PolarHBondContact O-N 3.36Å; I58-H60 PolarHBondContact O-N 3.48Å; I58-Q62 HydrophobicContact CG2-CB 4.14Å; I58-L63 HydrophobicContact CB-CB 4.47Å; I58-L63 HydrophobicContact CD1-CD1 4.33Å; I58-L63 HydrophobicContact CG2-CB 3.9Å
59	P	89.2	Confident	87.7	Confident	74 Å²	74	87 Å²	87	48%	0.481	43%	0.434	S	S	.	.			trans	-54.1	134.3	175.3	-26.2	34.6	0	0	0	111.7	R61 Q62 L63	P59-R61 VanDerWaalsContact C-N 3.27Å; P59-R61 PolarHBondContact O-N 3.49Å; P59-R61 VanDerWaalsContact O-N 3.1Å; P59-Q62 HydrophobicContact CB-CG 4.23Å; P59-Q62 WeakPolarHBondContact O-CB 3.3Å; P59-Q62 PolarHBondContact O-N 3.39Å; P59-L63 PolarHBondContact O-N 3.37Å; P59-L63 VanDerWaalsContact O-N 3.08Å
60	H	87.2	Confident	88.2	Confident	97 Å²	97	87 Å²	87	45%	0.449	43%	0.432	S	S	.	.	H	α-helix	trans	-48.7	-45.7	-173.3	174.4	44.9	0	0	0	113.5	I58 Q62 L63 Q64 H221	I58-H60 PolarHBondContact O-N 3.48Å; H60-Q62 PolarHBondContact O-N 2.95Å; H60-L63 PolarHBondContact O-N 3.08Å; H60-Q64 WeakPolarHBondContact O-CB 3.42Å; H60-Q64 PolarHBondContact O-N 3.37Å; H60-H221 AromaticContact CE1-CE1 3.6Å; H60-H221 AromaticContact ND1-CE1 3.22Å; H60-H221 PolarHBondContact ND1-CE1 3.25Å; H60-H221 AromaticContact ND1-ND1 3.97Å
61	R	90.2	Very high	88.7	Confident	220 Å²	220	82.8 Å²	82.8	83%	0.83	41%	0.413	S	S	*	.	H	α-helix	trans	-62.5	-38.7	179.8	-175	176.6	175.2	168.9	-0.2	113	P59 Y65	P59-R61 VanDerWaalsContact C-N 3.27Å; P59-R61 PolarHBondContact O-N 3.49Å; P59-R61 VanDerWaalsContact O-N 3.1Å; R61-Y65 VanDerWaalsContact O-CB 3.31Å; R61-Y65 WeakPolarHBondContact O-CB 3.35Å; R61-Y65 PolarHBondContact O-N 3.49Å
62	Q	92.9	Very high	89.4	Confident	124 Å²	124	82.2 Å²	82.2	58%	0.579	40%	0.404	S	S	*	.	H	α-helix	trans	-70.6	-43	179.3	-65.8	179.3	9.2	0	0	110.7	I58 P59 H60 Y65 F66	I58-Q62 HydrophobicContact CG2-CB 4.14Å; P59-Q62 HydrophobicContact CB-CG 4.23Å; P59-Q62 WeakPolarHBondContact O-CB 3.3Å; P59-Q62 PolarHBondContact O-N 3.39Å; H60-Q62 PolarHBondContact O-N 2.95Å; Q62-Y65 PolarHBondContact O-N 2.95Å; Q62-F66 WeakPolarHBondContact O-CB 3.45Å; Q62-F66 PolarHBondContact O-N 2.89Å
63	L	91.7	Very high	90.1	Very high	5 Å²	5	83.9 Å²	83.9	3%	0.026	39%	0.394	C	S	.	.	H	α-helix	trans	-61.3	-47.2	175.4	-178	63.5	0	0	0	111.3	L46 L56 I58 P59 H60 Y65 F66 L67	L46-L63 HydrophobicContact CD1-CD1 4.35Å; L46-L63 HydrophobicContact CD1-CD2 4.48Å; L46-L63 HydrophobicContact CD2-CD1 3.95Å; L56-L63 HydrophobicContact CD1-CD2 3.62Å; I58-L63 HydrophobicContact CB-CB 4.47Å; I58-L63 HydrophobicContact CD1-CD1 4.33Å; I58-L63 HydrophobicContact CG2-CB 3.9Å; P59-L63 PolarHBondContact O-N 3.37Å; P59-L63 VanDerWaalsContact O-N 3.08Å; H60-L63 PolarHBondContact O-N 3.08Å; L63-Y65 VanDerWaalsContact C-N 3.34Å; L63-Y65 PolarHBondContact O-N 3.36Å; L63-F66 PolarHBondContact O-N 3.47Å; L63-L67 HydrophobicContact CD1-CD1 3.78Å; L63-L67 HydrophobicContact CD1-CG 4.04Å; L63-L67 HydrophobicContact CD2-CD1 4.48Å; L63-L67 HydrophobicContact CG-CD1 3.78Å; L63-L67 HydrophobicContact CG-CG 4.38Å; L63-L67 WeakPolarHBondContact O-CB 3.13Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 3.2Å
64	Q	92.2	Very high	90.9	Very high	24 Å²	24	77.1 Å²	77.1	11%	0.112	37%	0.369	C	S	.	.	H	α-helix	trans	-60.4	-44	178.1	-168.5	69.7	29.8	0	0	111.6	H60 N68 F218	H60-Q64 WeakPolarHBondContact O-CB 3.42Å; H60-Q64 PolarHBondContact O-N 3.37Å; Q64-N68 PolarHBondContact NE2-OD1 3.1Å; Q64-N68 VanDerWaalsContact O-CB 3.3Å; Q64-N68 WeakPolarHBondContact O-CB 3.36Å; Q64-N68 PolarHBondContact O-N 2.93Å; Q64-F218 PolarHBondContact NE2-O 2.92Å
65	Y	94.2	Very high	91.7	Very high	145 Å²	145	74.6 Å²	74.6	57%	0.569	34%	0.342	S	S	*	.	H	α-helix	trans	-61.2	-47.3	177.1	177.7	-94.7	0	0	0	111.9	R61 Q62 L63 R69	R61-Y65 VanDerWaalsContact O-CB 3.31Å; R61-Y65 WeakPolarHBondContact O-CB 3.35Å; R61-Y65 PolarHBondContact O-N 3.49Å; Q62-Y65 PolarHBondContact O-N 2.95Å; L63-Y65 VanDerWaalsContact C-N 3.34Å; L63-Y65 PolarHBondContact O-N 3.36Å; Y65-R69 WeakPolarHBondContact O-CG 3.28Å; Y65-R69 PolarHBondContact O-N 2.91Å; Y65-R69 WeakPolarHBondContact OH-CD 3.43Å; Y65-R69 PolarHBondContact OH-NH1 3.39Å
66	F	94.9	Very high	92.5	Very high	119 Å²	119	69 Å²	69	52%	0.522	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-52.6	177.6	171	-99.8	0	0	0	111.4	Q62 L63 N68 R69 F70	Q62-F66 WeakPolarHBondContact O-CB 3.45Å; Q62-F66 PolarHBondContact O-N 2.89Å; L63-F66 PolarHBondContact O-N 3.47Å; F66-N68 PolarHBondContact O-N 2.84Å; F66-R69 PolarHBondContact O-N 3.22Å; F66-F70 HydrophobicContact CE1-CB 4.44Å; F66-F70 HydrophobicContact CZ-CB 4.44Å; F66-F70 HydrophobicContact CZ-CD2 4.34Å; F66-F70 VanDerWaalsContact O-CB 3.31Å; F66-F70 WeakPolarHBondContact O-CB 3.3Å; F66-F70 PolarHBondContact O-N 3.31Å
67	L	95	Very high	93.1	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-65.5	-40.5	-176.3	-68.1	173.6	0	0	0	112	V42 L46 L63 R69 F70 Y71 Y220	V42-L67 HydrophobicContact CG1-CD2 3.89Å; L46-L67 HydrophobicContact CD1-CD1 3.55Å; L46-L67 HydrophobicContact CD1-CD2 4.32Å; L63-L67 HydrophobicContact CD1-CD1 3.78Å; L63-L67 HydrophobicContact CD1-CG 4.04Å; L63-L67 HydrophobicContact CD2-CD1 4.48Å; L63-L67 HydrophobicContact CG-CD1 3.78Å; L63-L67 HydrophobicContact CG-CG 4.38Å; L63-L67 WeakPolarHBondContact O-CB 3.13Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 3.2Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.32Å; L67-F70 PolarHBondContact O-N 2.98Å; L67-Y71 HydrophobicContact CB-CD2 4.17Å; L67-Y71 HydrophobicContact CB-CE2 4.07Å; L67-Y71 HydrophobicContact CD2-CE2 3.94Å; L67-Y71 HydrophobicContact CG-CE2 4.49Å; L67-Y71 WeakPolarHBondContact O-CB 3.45Å; L67-Y71 WeakPolarHBondContact O-CD2 3.25Å; L67-Y71 PolarHBondContact O-N 3.42Å; L67-Y220 HydrophobicContact CB-CD2 3.47Å; L67-Y220 VanDerWaalsContact CB-CD2 3.47Å; L67-Y220 HydrophobicContact CB-CE1 4.48Å; L67-Y220 HydrophobicContact CB-CE2 3.35Å; L67-Y220 HydrophobicContact CB-CG 4.11Å; L67-Y220 HydrophobicContact CD1-CD1 4.44Å; L67-Y220 HydrophobicContact CD1-CD2 3.44Å; L67-Y220 VanDerWaalsContact CD1-CD2 3.44Å; L67-Y220 HydrophobicContact CD1-CE2 4.24Å; L67-Y220 HydrophobicContact CD1-CG 3.56Å; L67-Y220 HydrophobicContact CG-CD2 4.11Å; L67-Y220 HydrophobicContact CG-CE2 4.45Å; L67-Y220 HydrophobicContact CG-CG 4.47Å
68	N	95.8	Very high	93.6	Very high	27 Å²	27	69.8 Å²	69.8	14%	0.144	32%	0.318	C	S	.	.	H	α-helix	trans	-56	-47.7	173.8	-77.7	-6.4	0	0	0	111.5	Q64 F66 L72 Y220 L248	Q64-N68 PolarHBondContact NE2-OD1 3.1Å; Q64-N68 VanDerWaalsContact O-CB 3.3Å; Q64-N68 WeakPolarHBondContact O-CB 3.36Å; Q64-N68 PolarHBondContact O-N 2.93Å; F66-N68 PolarHBondContact O-N 2.84Å; N68-L72 WeakPolarHBondContact O-CB 3.31Å; N68-L72 PolarHBondContact O-N 3.43Å; N68-Y220 WeakPolarHBondContact OD1-CE2 3.44Å; N68-Y220 PolarHBondContact OD1-OH 2.79Å; N68-L248 HydrophobicContact CB-CD2 4.17Å
69	R	96.5	Very high	93.9	Very high	156 Å²	156	67 Å²	67	59%	0.589	30%	0.303	S	S	*	.	H	α-helix	trans	-68.6	-42.1	179.5	-70.7	176.7	66.7	92.4	-0	112.3	Y65 F66 L67 M73	Y65-R69 WeakPolarHBondContact O-CG 3.28Å; Y65-R69 PolarHBondContact O-N 2.91Å; Y65-R69 WeakPolarHBondContact OH-CD 3.43Å; Y65-R69 PolarHBondContact OH-NH1 3.39Å; F66-R69 PolarHBondContact O-N 3.22Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.32Å; R69-M73 VanDerWaalsContact O-CB 3.28Å; R69-M73 WeakPolarHBondContact O-CB 3.44Å; R69-M73 PolarHBondContact O-N 2.93Å
70	F	96.7	Very high	94.1	Very high	56 Å²	56	68.8 Å²	68.8	25%	0.246	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-49.8	178.9	176	-95.8	0	0	0	111.3	V38 V42 F66 L67 M73 R74	V38-F70 HydrophobicContact CG1-CE1 3.7Å; V38-F70 HydrophobicContact CG1-CZ 3.63Å; V42-F70 HydrophobicContact CG2-CE1 3.9Å; V42-F70 HydrophobicContact CG2-CZ 4.11Å; F66-F70 HydrophobicContact CE1-CB 4.44Å; F66-F70 HydrophobicContact CZ-CB 4.44Å; F66-F70 HydrophobicContact CZ-CD2 4.34Å; F66-F70 VanDerWaalsContact O-CB 3.31Å; F66-F70 WeakPolarHBondContact O-CB 3.3Å; F66-F70 PolarHBondContact O-N 3.31Å; L67-F70 PolarHBondContact O-N 2.98Å; F70-M73 PolarHBondContact O-N 3Å; F70-R74 PolarHBondContact O-N 2.79Å
71	Y	96.2	Very high	94.3	Very high	1 Å²	1	65.8 Å²	65.8	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-72.9	-36	-179.5	-70.7	-55.6	0	0	0	112.8	V39 V42 L67 M73 R74 I75 Y220 Y241 L245 L248	V39-Y71 HydrophobicContact CB-CE1 4.43Å; V39-Y71 HydrophobicContact CG2-CD1 4.26Å; V39-Y71 HydrophobicContact CG2-CE1 3.89Å; V42-Y71 VanDerWaalsContact CB-OH 3.3Å; V42-Y71 WeakPolarHBondContact CB-OH 3.28Å; V42-Y71 WeakPolarHBondContact CG1-OH 3.41Å; L67-Y71 HydrophobicContact CB-CD2 4.17Å; L67-Y71 HydrophobicContact CB-CE2 4.07Å; L67-Y71 HydrophobicContact CD2-CE2 3.94Å; L67-Y71 HydrophobicContact CG-CE2 4.49Å; L67-Y71 WeakPolarHBondContact O-CB 3.45Å; L67-Y71 WeakPolarHBondContact O-CD2 3.25Å; L67-Y71 PolarHBondContact O-N 3.42Å; Y71-M73 VanDerWaalsContact C-N 3.34Å; Y71-M73 PolarHBondContact O-N 3.26Å; Y71-R74 WeakPolarHBondContact O-CB 3.45Å; Y71-R74 PolarHBondContact O-N 2.86Å; Y71-I75 VanDerWaalsContact O-CG1 3.3Å; Y71-I75 WeakPolarHBondContact O-CG1 3.46Å; Y71-I75 PolarHBondContact O-N 3.47Å; Y71-Y220 HydrophobicContact CD2-CD1 4.33Å; Y71-Y220 AromaticContact CD2-CE1 3.56Å; Y71-Y220 HydrophobicContact CD2-CE1 3.56Å; Y71-Y220 AromaticContact CD2-CZ 3.8Å; Y71-Y220 AromaticContact CE2-CD1 3.99Å; Y71-Y220 HydrophobicContact CE2-CD1 3.99Å; Y71-Y220 AromaticContact CE2-CE1 3.67Å; Y71-Y220 HydrophobicContact CE2-CE1 3.67Å; Y71-Y241 HydrophobicContact CE2-CD1 4.12Å; Y71-Y241 AromaticContact CE2-CE1 3.64Å; Y71-Y241 HydrophobicContact CE2-CE1 3.64Å; Y71-Y241 AromaticContact CZ-CE1 3.66Å; Y71-Y241 WeakPolarHBondContact OH-CE1 3.42Å; Y71-L245 HydrophobicContact CD1-CD2 4.01Å; Y71-L245 HydrophobicContact CD2-CD2 3.9Å; Y71-L245 HydrophobicContact CE2-CD2 4.46Å; Y71-L245 HydrophobicContact CG-CD2 3.67Å; Y71-L248 HydrophobicContact CG-CD1 4.4Å
72	L	96.3	Very high	94.2	Very high	60 Å²	60	55.5 Å²	55.5	31%	0.314	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-41.2	173.8	-167.7	67.9	0	0	0	111.4	N68 R74 I75 S76 Y252	N68-L72 WeakPolarHBondContact O-CB 3.31Å; N68-L72 PolarHBondContact O-N 3.43Å; L72-R74 VanDerWaalsContact C-N 3.35Å; L72-I75 PolarHBondContact O-N 3.3Å; L72-S76 WeakPolarHBondContact O-CB 3.48Å; L72-S76 PolarHBondContact O-N 3.12Å; L72-Y252 HydrophobicContact CD1-CD2 3.99Å
73	M	96.9	Very high	94	Very high	105 Å²	105	53 Å²	53	52%	0.517	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-41.3	172	-177.1	-171.9	72.2	0	0	111.5	R69 F70 Y71 S76 N77	R69-M73 VanDerWaalsContact O-CB 3.28Å; R69-M73 WeakPolarHBondContact O-CB 3.44Å; R69-M73 PolarHBondContact O-N 2.93Å; F70-M73 PolarHBondContact O-N 3Å; Y71-M73 VanDerWaalsContact C-N 3.34Å; Y71-M73 PolarHBondContact O-N 3.26Å; M73-S76 PolarHBondContact O-N 3.4Å; M73-N77 WeakPolarHBondContact O-CB 3.31Å; M73-N77 PolarHBondContact O-N 2.91Å; M73-N77 PolarHBondContact O-ND2 3.27Å
74	R	95.3	Very high	93.8	Very high	33 Å²	33	53.4 Å²	53.4	13%	0.125	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-47.2	175	179.7	-175.8	172.2	-87.5	6.7	111.5	S36 F70 Y71 L72 S76 N77 R78	S36-R74 PolarHBondContact O-NH2 3.34Å; F70-R74 PolarHBondContact O-N 2.79Å; Y71-R74 WeakPolarHBondContact O-CB 3.45Å; Y71-R74 PolarHBondContact O-N 2.86Å; L72-R74 VanDerWaalsContact C-N 3.35Å; R74-S76 VanDerWaalsContact C-N 3.32Å; R74-S76 PolarHBondContact O-N 3.34Å; R74-N77 PolarHBondContact O-N 3.18Å; R74-R78 WeakPolarHBondContact O-CB 3.21Å; R74-R78 WeakPolarHBondContact O-CG 3.4Å; R74-R78 PolarHBondContact O-N 3.28Å
75	I	94.8	Very high	93.5	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-47.9	176.7	-68.5	164.4	0	0	0	109.5	Y71 L72 N77 R78 M79 L248 Y249 Y252	Y71-I75 VanDerWaalsContact O-CG1 3.3Å; Y71-I75 WeakPolarHBondContact O-CG1 3.46Å; Y71-I75 PolarHBondContact O-N 3.47Å; L72-I75 PolarHBondContact O-N 3.3Å; I75-N77 PolarHBondContact O-N 3.37Å; I75-R78 PolarHBondContact O-N 3.24Å; I75-M79 WeakPolarHBondContact O-CB 3.2Å; I75-M79 PolarHBondContact O-N 3.01Å; I75-L248 HydrophobicContact CD1-CB 3.87Å; I75-Y249 HydrophobicContact CD1-CD1 4.07Å; I75-Y249 HydrophobicContact CD1-CD2 4.2Å; I75-Y249 HydrophobicContact CD1-CE1 4.1Å; I75-Y249 HydrophobicContact CD1-CE2 4.2Å; I75-Y249 HydrophobicContact CD1-CG 4.13Å; I75-Y249 HydrophobicContact CG1-CD1 4.34Å; I75-Y249 HydrophobicContact CG1-CE1 3.93Å; I75-Y249 HydrophobicContact CG1-CE2 4.49Å; I75-Y249 HydrophobicContact CG2-CD1 4.14Å; I75-Y249 HydrophobicContact CG2-CE1 4.03Å; I75-Y252 HydrophobicContact CG2-CD1 4.02Å; I75-Y252 HydrophobicContact CG2-CD2 4.03Å; I75-Y252 HydrophobicContact CG2-CE1 4.41Å; I75-Y252 HydrophobicContact CG2-CE2 4.45Å; I75-Y252 HydrophobicContact CG2-CG 3.81Å
76	S	95.8	Very high	92.9	Very high	37 Å²	37	47.5 Å²	47.5	26%	0.259	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-47.9	178.1	-171.6	0	0	0	0	113.1	L72 M73 R74 R78 M79 L80	L72-S76 WeakPolarHBondContact O-CB 3.48Å; L72-S76 PolarHBondContact O-N 3.12Å; M73-S76 PolarHBondContact O-N 3.4Å; R74-S76 VanDerWaalsContact C-N 3.32Å; R74-S76 PolarHBondContact O-N 3.34Å; S76-R78 VanDerWaalsContact C-N 3.33Å; S76-R78 PolarHBondContact O-N 2.87Å; S76-M79 WeakPolarHBondContact O-CB 3.49Å; S76-M79 PolarHBondContact O-N 2.83Å; S76-L80 WeakPolarHBondContact O-CG 3.34Å; S76-L80 PolarHBondContact O-N 2.89Å
77	N	94.6	Very high	92.3	Very high	76 Å²	76	48.4 Å²	48.4	41%	0.406	23%	0.228	S	C	.	.	H	α-helix	trans	-61.5	-42.5	177.7	-77.1	-24.6	0	0	0	111.4	M73 R74 I75 L80 M81	M73-N77 WeakPolarHBondContact O-CB 3.31Å; M73-N77 PolarHBondContact O-N 2.91Å; M73-N77 PolarHBondContact O-ND2 3.27Å; R74-N77 PolarHBondContact O-N 3.18Å; I75-N77 PolarHBondContact O-N 3.37Å; N77-L80 PolarHBondContact O-N 3.32Å; N77-M81 HydrophobicContact CB-CE 4.2Å; N77-M81 WeakPolarHBondContact O-CB 3.19Å; N77-M81 WeakPolarHBondContact O-CE 3.35Å; N77-M81 VanDerWaalsContact O-CG 3.22Å; N77-M81 WeakPolarHBondContact O-CG 3.42Å; N77-M81 PolarHBondContact O-N 3.49Å
78	R	93.1	Very high	91.7	Very high	37 Å²	37	51.6 Å²	51.6	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-44.4	175.9	-75.9	-177.5	63.2	80.9	0.5	111.8	Y32 R74 I75 S76 M81 N82 D100	Y32-R78 HydrophobicContact CE2-CB 4.37Å; Y32-R78 HydrophobicContact CE2-CG 4.44Å; Y32-R78 VanDerWaalsContact CZ-NH2 3.28Å; Y32-R78 PolarHBondContact OH-NH2 3.46Å; R74-R78 WeakPolarHBondContact O-CB 3.21Å; R74-R78 WeakPolarHBondContact O-CG 3.4Å; R74-R78 PolarHBondContact O-N 3.28Å; I75-R78 PolarHBondContact O-N 3.24Å; S76-R78 VanDerWaalsContact C-N 3.33Å; S76-R78 PolarHBondContact O-N 2.87Å; R78-M81 HydrophobicContact CG-CE 4.49Å; R78-M81 PolarHBondContact O-N 3.45Å; R78-N82 WeakPolarHBondContact O-CB 3.44Å; R78-N82 PolarHBondContact O-N 3.46Å; R78-D100 IonicContact NE-OD2 3.28Å; R78-D100 IonicContact NH2-OD2 3.66Å
79	M	92.3	Very high	90.7	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.034	25%	0.247	C	C	.	.	H	α-helix	trans	-56.1	-54.3	174.7	-179.5	59.2	64	0	0	110.7	I75 S76 M81 N82 Q83 D100 H155 Y252 F253	I75-M79 WeakPolarHBondContact O-CB 3.2Å; I75-M79 PolarHBondContact O-N 3.01Å; S76-M79 WeakPolarHBondContact O-CB 3.49Å; S76-M79 PolarHBondContact O-N 2.83Å; M79-M81 PolarHBondContact O-N 2.94Å; M79-N82 PolarHBondContact O-N 3.03Å; M79-Q83 VanDerWaalsContact O-CG 3.25Å; M79-Q83 WeakPolarHBondContact O-CG 3.43Å; M79-Q83 PolarHBondContact O-N 3.01Å; M79-Q83 HydrophobicContact SD-CG 4.15Å; M79-D100 HydrophobicContact CE-CB 3.93Å; M79-D100 HydrophobicContact SD-CB 4.4Å; M79-H155 WeakPolarHBondContact CE-CE1 3.16Å; M79-H155 VanDerWaalsContact CE-NE2 3.33Å; M79-H155 WeakPolarHBondContact CE-NE2 3.27Å; M79-Y252 HydrophobicContact CB-CE1 4.19Å; M79-Y252 HydrophobicContact CE-CE1 4.32Å; M79-Y252 HydrophobicContact CG-CE1 4.06Å; M79-F253 HydrophobicContact CE-CE2 4.09Å; M79-F253 HydrophobicContact CE-CZ 3.98Å
80	L	92.9	Very high	89.5	Confident	111 Å²	111	53.7 Å²	53.7	58%	0.581	26%	0.259	S	S	*	.	H	α-helix	trans	-60	-47.5	-179.7	-68.7	175.3	0	0	0	112.9	S76 N77 N82 Q83 H84	S76-L80 WeakPolarHBondContact O-CG 3.34Å; S76-L80 PolarHBondContact O-N 2.89Å; N77-L80 PolarHBondContact O-N 3.32Å; L80-N82 VanDerWaalsContact C-N 3.35Å; L80-N82 PolarHBondContact O-N 2.91Å; L80-Q83 PolarHBondContact O-N 3.5Å; L80-H84 PolarHBondContact O-N 3.37Å; L80-H84 VanDerWaalsContact O-N 3.15Å
81	M	91.7	Very high	87.8	Confident	33 Å²	33	52.1 Å²	52.1	16%	0.163	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-42.8	178.2	-71	-172.9	-70.5	0	0	111.3	V28 I31 Y32 N77 R78 M79 H84 I85	V28-M81 HydrophobicContact CG1-CB 3.73Å; V28-M81 HydrophobicContact CG1-CG 3.83Å; V28-M81 HydrophobicContact CG1-SD 4.49Å; I31-M81 HydrophobicContact CB-SD 4.21Å; I31-M81 HydrophobicContact CG2-CE 4.44Å; I31-M81 HydrophobicContact CG2-SD 3.66Å; Y32-M81 HydrophobicContact CD2-CB 4.22Å; Y32-M81 HydrophobicContact CD2-CE 4.42Å; N77-M81 HydrophobicContact CB-CE 4.2Å; N77-M81 WeakPolarHBondContact O-CB 3.19Å; N77-M81 WeakPolarHBondContact O-CE 3.35Å; N77-M81 VanDerWaalsContact O-CG 3.22Å; N77-M81 WeakPolarHBondContact O-CG 3.42Å; N77-M81 PolarHBondContact O-N 3.49Å; R78-M81 HydrophobicContact CG-CE 4.49Å; R78-M81 PolarHBondContact O-N 3.45Å; M79-M81 PolarHBondContact O-N 2.94Å; M81-H84 WeakPolarHBondContact O-CB 3.12Å; M81-H84 PolarHBondContact O-N 3.41Å; M81-I85 WeakPolarHBondContact O-CB 3.48Å; M81-I85 WeakPolarHBondContact O-CD1 3.33Å; M81-I85 WeakPolarHBondContact O-CG1 3.15Å; M81-I85 PolarHBondContact O-N 3Å
82	N	89	Confident	86.2	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-38.6	-179.3	-171.2	45.9	0	0	0	111.9	Y32 R78 M79 L80 H84 I85 M86 D100 R101	Y32-N82 HydrophobicContact CE2-CB 4.03Å; R78-N82 WeakPolarHBondContact O-CB 3.44Å; R78-N82 PolarHBondContact O-N 3.46Å; M79-N82 PolarHBondContact O-N 3.03Å; L80-N82 VanDerWaalsContact C-N 3.35Å; L80-N82 PolarHBondContact O-N 2.91Å; N82-H84 VanDerWaalsContact C-N 3.3Å; N82-H84 PolarHBondContact O-N 3.43Å; N82-I85 PolarHBondContact O-N 2.9Å; N82-M86 WeakPolarHBondContact O-CB 3.11Å; N82-M86 VanDerWaalsContact O-CG 3.25Å; N82-M86 WeakPolarHBondContact O-CG 3.18Å; N82-M86 PolarHBondContact O-N 2.72Å; N82-D100 HydrophobicContact CB-CB 4.21Å; N82-D100 VanDerWaalsContact ND2-CA 3.26Å; N82-D100 WeakPolarHBondContact ND2-CA 3.3Å; N82-D100 PolarHBondContact ND2-N 2.93Å; N82-D100 PolarHBondContact ND2-O 2.98Å; N82-D100 VanDerWaalsContact ND2-O 3.15Å; N82-R101 PolarHBondContact ND2-N 3.27Å
83	Q	88.5	Confident	84.3	Confident	72 Å²	72	60.3 Å²	60.3	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-59.1	-42	172.5	-67.2	-61.6	-39	0	0	111.7	M79 L80 K87 D100	M79-Q83 VanDerWaalsContact O-CG 3.25Å; M79-Q83 WeakPolarHBondContact O-CG 3.43Å; M79-Q83 PolarHBondContact O-N 3.01Å; M79-Q83 HydrophobicContact SD-CG 4.15Å; L80-Q83 PolarHBondContact O-N 3.5Å; Q83-K87 VanDerWaalsContact O-CB 3.28Å; Q83-K87 WeakPolarHBondContact O-CB 3.39Å; Q83-K87 PolarHBondContact O-N 2.93Å; Q83-K87 VanDerWaalsContact O-N 3.1Å; Q83-D100 PolarHBondContact NE2-O 2.97Å; Q83-D100 VanDerWaalsContact NE2-O 3.15Å
84	H	88.2	Confident	82.5	Confident	13 Å²	13	59.8 Å²	59.8	6%	0.06	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-50.4	172.9	-178.9	84.2	0	0	0	111.7	M1 F24 S25 V28 L80 M81 N82 M86 K87 F88	M1-H84 WeakPolarHBondContact CE-ND1 3.19Å; F24-H84 AromaticContact CD1-CE1 3.43Å; F24-H84 VanDerWaalsContact CD1-CE1 3.43Å; F24-H84 WeakPolarHBondContact CD1-CE1 3.4Å; F24-H84 AromaticContact CD1-NE2 3.61Å; F24-H84 AromaticContact CE1-CE1 3.4Å; F24-H84 WeakPolarHBondContact CE1-CE1 2.93Å; F24-H84 AromaticContact CE1-ND1 3.61Å; F24-H84 AromaticContact CE1-NE2 3.79Å; S25-H84 PolarHBondContact OG-NE2 3.48Å; V28-H84 HydrophobicContact CG1-CB 4.43Å; L80-H84 PolarHBondContact O-N 3.37Å; L80-H84 VanDerWaalsContact O-N 3.15Å; M81-H84 WeakPolarHBondContact O-CB 3.12Å; M81-H84 PolarHBondContact O-N 3.41Å; N82-H84 VanDerWaalsContact C-N 3.3Å; N82-H84 PolarHBondContact O-N 3.43Å; H84-M86 PolarHBondContact O-N 2.9Å; H84-K87 PolarHBondContact O-N 3.07Å; H84-F88 AromaticContact CE1-CD2 3.57Å; H84-F88 AromaticContact ND1-CD2 3.5Å; H84-F88 WeakPolarHBondContact O-CB 3.44Å; H84-F88 VanDerWaalsContact O-CD2 3.29Å; H84-F88 WeakPolarHBondContact O-CD2 3.29Å; H84-F88 PolarHBondContact O-N 2.97Å
85	I	85.6	Confident	80.7	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-60.9	-47.4	-177.5	-70.5	165.4	0	0	0	110.8	V28 R29 Y32 M81 N82 K87 C89 L91	V28-I85 HydrophobicContact CG1-CD1 4.08Å; V28-I85 HydrophobicContact CG1-CG1 3.93Å; R29-I85 HydrophobicContact CB-CD1 4.38Å; R29-I85 HydrophobicContact CB-CG1 4.48Å; Y32-I85 HydrophobicContact CD1-CD1 4.28Å; Y32-I85 HydrophobicContact CD2-CD1 4.31Å; Y32-I85 HydrophobicContact CG-CD1 3.87Å; M81-I85 WeakPolarHBondContact O-CB 3.48Å; M81-I85 WeakPolarHBondContact O-CD1 3.33Å; M81-I85 WeakPolarHBondContact O-CG1 3.15Å; M81-I85 PolarHBondContact O-N 3Å; N82-I85 PolarHBondContact O-N 2.9Å; I85-K87 VanDerWaalsContact C-N 3.35Å; I85-K87 PolarHBondContact O-N 3.15Å; I85-C89 HydrophobicContact CG2-CB 4.05Å; I85-C89 WeakPolarHBondContact O-CA 3.26Å; I85-C89 WeakPolarHBondContact O-CB 3.33Å; I85-C89 PolarHBondContact O-N 3.47Å; I85-L91 HydrophobicContact CG2-CD1 3.13Å; I85-L91 HydrophobicContact CG2-CG 3.79Å
86	M	81	Confident	79	Confident	45 Å²	45	63 Å²	63	22%	0.222	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-40.9	-180	-70.5	-57.6	-64.9	0	0	112	N82 H84 C99	N82-M86 WeakPolarHBondContact O-CB 3.11Å; N82-M86 VanDerWaalsContact O-CG 3.25Å; N82-M86 WeakPolarHBondContact O-CG 3.18Å; N82-M86 PolarHBondContact O-N 2.72Å; H84-M86 PolarHBondContact O-N 2.9Å; M86-C99 HydrophobicContact SD-CB 4.22Å
87	K	81.6	Confident	77.4	Confident	137 Å²	137	63 Å²	63	60%	0.596	32%	0.317	S	S	*	.	H	α-helix	trans	-73.3	-41.5	-179.1	-177	64.8	176.7	-178	0	112.9	Q83 H84 I85	Q83-K87 VanDerWaalsContact O-CB 3.28Å; Q83-K87 WeakPolarHBondContact O-CB 3.39Å; Q83-K87 PolarHBondContact O-N 2.93Å; Q83-K87 VanDerWaalsContact O-N 3.1Å; H84-K87 PolarHBondContact O-N 3.07Å; I85-K87 VanDerWaalsContact C-N 3.35Å; I85-K87 PolarHBondContact O-N 3.15Å
88	F	82.8	Confident	76	Confident	69 Å²	69	63.5 Å²	63.5	30%	0.303	32%	0.32	S	S	.	.	H	α-helix	trans	-111.9	-26.3	-167.1	-60.3	-73.6	0	0	0	114.8	M1 H84	M1-F88 HydrophobicContact CB-CZ 4.12Å; M1-F88 HydrophobicContact CE-CD2 3.88Å; M1-F88 HydrophobicContact CE-CE2 3.34Å; M1-F88 HydrophobicContact CE-CZ 4.02Å; M1-F88 HydrophobicContact CG-CE2 4.47Å; M1-F88 HydrophobicContact CG-CZ 4.23Å; M1-F88 HydrophobicContact SD-CD1 4.34Å; M1-F88 HydrophobicContact SD-CD2 3.63Å; M1-F88 HydrophobicContact SD-CE1 3.9Å; M1-F88 HydrophobicContact SD-CE2 3.14Å; M1-F88 WeakPolarHBondContact SD-CE2 3.39Å; M1-F88 HydrophobicContact SD-CG 4.24Å; M1-F88 HydrophobicContact SD-CZ 3.28Å; M1-F88 WeakPolarHBondContact SD-CZ 3.5Å; H84-F88 AromaticContact CE1-CD2 3.57Å; H84-F88 AromaticContact ND1-CD2 3.5Å; H84-F88 WeakPolarHBondContact O-CB 3.44Å; H84-F88 VanDerWaalsContact O-CD2 3.29Å; H84-F88 WeakPolarHBondContact O-CD2 3.29Å; H84-F88 PolarHBondContact O-N 2.97Å
89	C	75.7	Confident	74.9	Confident	38 Å²	38	62 Å²	62	26%	0.257	32%	0.315	S	S	.	.	S	Bend	trans	-89.2	-7.1	-177.6	-58.4	0	0	0	0	114	I85 L91	I85-C89 HydrophobicContact CG2-CB 4.05Å; I85-C89 WeakPolarHBondContact O-CA 3.26Å; I85-C89 WeakPolarHBondContact O-CB 3.33Å; I85-C89 PolarHBondContact O-N 3.47Å; C89-L91 HydrophobicContact CB-CG 4.37Å; C89-L91 PolarHBondContact O-N 3.15Å; C89-L91 VanDerWaalsContact O-N 3.15Å
90	K	69.9	Low	74.1	Confident	190 Å²	190	62.2 Å²	62.2	83%	0.826	32%	0.316	S	S	*	.			trans	44.3	46.9	-176.6	-61.8	-176.1	178.9	-178.1	0	112.4
91	L	62.9	Low	73.6	Confident	22 Å²	22	60.2 Å²	60.2	12%	0.115	30%	0.301	C	S	.	.			trans	-58.2	143.4	174.8	-76.4	-177.9	0	0	0	109.4	I85 C89 N93 F94	I85-L91 HydrophobicContact CG2-CD1 3.13Å; I85-L91 HydrophobicContact CG2-CG 3.79Å; C89-L91 HydrophobicContact CB-CG 4.37Å; C89-L91 PolarHBondContact O-N 3.15Å; C89-L91 VanDerWaalsContact O-N 3.15Å; L91-N93 PolarHBondContact O-N 2.89Å; L91-F94 HydrophobicContact CB-CD2 4.45Å; L91-F94 HydrophobicContact CB-CE2 3.92Å; L91-F94 HydrophobicContact CD1-CE2 3.9Å; L91-F94 HydrophobicContact CD2-CE2 4.4Å; L91-F94 HydrophobicContact CG-CE2 4.29Å
92	P	62.5	Low	73.4	Confident	93 Å²	93	63.1 Å²	63.1	60%	0.604	32%	0.316	S	S	*	.			trans	-52	141.4	169.5	24.1	-33.5	0	0	0	108.5	F94	P92-F94 VanDerWaalsContact C-N 3.33Å; P92-F94 HydrophobicContact CG-CE2 4.38Å; P92-F94 HydrophobicContact CG-CZ 4.29Å; P92-F94 WeakPolarHBondContact O-CD2 3.36Å; P92-F94 PolarHBondContact O-N 3.22Å
93	N	55.3	Low	73.5	Confident	140 Å²	140	65 Å²	65	75%	0.749	33%	0.326	S	S	*	.			trans	-57.3	99.7	175.3	-76.6	-22.8	0	0	0	108.2	L91	L91-N93 PolarHBondContact O-N 2.89Å
94	F	58.9	Low	73.6	Confident	94 Å²	94	65.6 Å²	65.6	41%	0.412	34%	0.343	S	S	.	.			trans	-64.8	167.1	164.6	-65	-80.3	0	0	0	108.8	L91 P92 D98	L91-F94 HydrophobicContact CB-CD2 4.45Å; L91-F94 HydrophobicContact CB-CE2 3.92Å; L91-F94 HydrophobicContact CD1-CE2 3.9Å; L91-F94 HydrophobicContact CD2-CE2 4.4Å; L91-F94 HydrophobicContact CG-CE2 4.29Å; P92-F94 VanDerWaalsContact C-N 3.33Å; P92-F94 HydrophobicContact CG-CE2 4.38Å; P92-F94 HydrophobicContact CG-CZ 4.29Å; P92-F94 WeakPolarHBondContact O-CD2 3.36Å; P92-F94 PolarHBondContact O-N 3.22Å; F94-D98 HydrophobicContact CB-CB 3.47Å; F94-D98 VanDerWaalsContact CB-CB 3.47Å; F94-D98 HydrophobicContact CG-CB 4.47Å
95	A	58.5	Low	73.8	Confident	44 Å²	44	68 Å²	68	36%	0.364	36%	0.362	S	S	.	.			trans	-53.9	160.2	-177.8	0	0	0	0	0	111.5	H97 D98	A95-H97 PolarHBondContact O-N 3.42Å; A95-D98 HydrophobicContact CB-CB 4.45Å; A95-D98 WeakPolarHBondContact CB-OD2 3.22Å; A95-D98 PolarHBondContact N-OD2 2.78Å; A95-D98 WeakPolarHBondContact O-CB 3.39Å; A95-D98 PolarHBondContact O-N 2.94Å
96	M	58.2	Low	74.2	Confident	59 Å²	59	68 Å²	68	29%	0.291	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.2	-168.5	-166.3	167.9	114.8	0	0	113.6	V111 P153	M96-V111 HydrophobicContact CE-CG2 3.46Å; M96-V111 VanDerWaalsContact CE-CG2 3.46Å; M96-P153 HydrophobicContact CE-CB 4.33Å; M96-P153 HydrophobicContact CG-CB 4.41Å
97	H	62.8	Low	74.8	Confident	38 Å²	38	68.2 Å²	68.2	18%	0.176	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-2.4	-179.1	61.5	-89.7	0	0	0	114.9	A95 C99 E114 A154 Y157	A95-H97 PolarHBondContact O-N 3.42Å; H97-C99 PolarHBondContact O-N 3.36Å; H97-E114 VanDerWaalsContact CE1-CD 3.41Å; H97-E114 IonicContact CE1-OE1 3.64Å; H97-E114 PolarHBondContact CE1-OE1 3.3Å; H97-E114 IonicContact CE1-OE2 3.48Å; H97-E114 IonicContact CG-OE2 2.88Å; H97-E114 IonicContact ND1-OE1 3.45Å; H97-E114 PolarHBondContact ND1-OE1 3.1Å; H97-E114 IonicContact ND1-OE2 2.63Å; H97-E114 PolarHBondContact ND1-OE2 2.99Å; H97-A154 WeakPolarHBondContact O-CB 3.49Å; H97-Y157 HydrophobicContact CB-CD1 4.28Å; H97-Y157 HydrophobicContact CB-CD2 4.07Å; H97-Y157 HydrophobicContact CB-CG 3.79Å; H97-Y157 AromaticContact CD2-CE1 3.98Å; H97-Y157 AromaticContact CG-CD2 3.98Å
98	D	65.1	Low	75.5	Confident	86 Å²	86	61.7 Å²	61.7	46%	0.46	34%	0.336	S	S	.	.	S	Bend	trans	-74.1	-14.4	-176.9	-79.6	-22.9	0	0	0	113.2	F94 A95	F94-D98 HydrophobicContact CB-CB 3.47Å; F94-D98 VanDerWaalsContact CB-CB 3.47Å; F94-D98 HydrophobicContact CG-CB 4.47Å; A95-D98 HydrophobicContact CB-CB 4.45Å; A95-D98 WeakPolarHBondContact CB-OD2 3.22Å; A95-D98 PolarHBondContact N-OD2 2.78Å; A95-D98 WeakPolarHBondContact O-CB 3.39Å; A95-D98 PolarHBondContact O-N 2.94Å
99	C	70	Confident	76.2	Confident	6 Å²	6	59.9 Å²	59.9	4%	0.041	33%	0.328	C	S	.	.	S	Bend	trans	-128.9	135.2	-176.6	63.7	0	0	0	0	110.9	M86 H97 R101 A154	M86-C99 HydrophobicContact SD-CB 4.22Å; H97-C99 PolarHBondContact O-N 3.36Å; C99-R101 PolarHBondContact O-N 3.48Å; C99-R101 WeakPolarHBondContact SG-CD 3.26Å; C99-R101 VanDerWaalsContact SG-CG 3.57Å; C99-A154 VanDerWaalsContact O-CB 3.28Å; C99-A154 WeakPolarHBondContact O-CB 3.28Å
100	D	74.3	Confident	77.1	Confident	12 Å²	12	59.8 Å²	59.8	6%	0.064	33%	0.33	C	S	.	.			trans	-65.7	47.7	170.3	-57.5	-43.8	0	0	0	111.5	R78 M79 N82 Q83 H155	R78-D100 IonicContact NE-OD2 3.28Å; R78-D100 IonicContact NH2-OD2 3.66Å; M79-D100 HydrophobicContact CE-CB 3.93Å; M79-D100 HydrophobicContact SD-CB 4.4Å; N82-D100 HydrophobicContact CB-CB 4.21Å; N82-D100 VanDerWaalsContact ND2-CA 3.26Å; N82-D100 WeakPolarHBondContact ND2-CA 3.3Å; N82-D100 PolarHBondContact ND2-N 2.93Å; N82-D100 PolarHBondContact ND2-O 2.98Å; N82-D100 VanDerWaalsContact ND2-O 3.15Å; Q83-D100 PolarHBondContact NE2-O 2.97Å; Q83-D100 VanDerWaalsContact NE2-O 3.15Å; D100-H155 IonicContact OD1-CD2 3.31Å; D100-H155 PolarHBondContact OD1-CD2 3.22Å; D100-H155 IonicContact OD1-NE2 3.58Å
101	R	82.7	Confident	78.4	Confident	69 Å²	69	50.7 Å²	50.7	26%	0.26	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-82.8	153.6	175.1	68.3	178.2	177.9	172.6	8.2	109.3	N82 C99 S152 P153	N82-R101 PolarHBondContact ND2-N 3.27Å; C99-R101 PolarHBondContact O-N 3.48Å; C99-R101 WeakPolarHBondContact SG-CD 3.26Å; C99-R101 VanDerWaalsContact SG-CG 3.57Å; R101-S152 VanDerWaalsContact O-CA 3.23Å; R101-S152 WeakPolarHBondContact O-CA 3.22Å; R101-S152 WeakPolarHBondContact O-CB 3.22Å; R101-S152 PolarHBondContact O-OG 3.18Å; R101-P153 WeakPolarHBondContact O-CD 3.41Å
102	I	88.5	Confident	80	Confident	93 Å²	93	49.8 Å²	49.8	48%	0.477	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-94.6	117.4	169	-62.7	172.5	0	0	0	105.9
103	D	89.7	Confident	81.7	Confident	43 Å²	43	48.4 Å²	48.4	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.3	170.4	-174.6	-7.6	0	0	0	107.9	S105 C106 A150 Y151 P153	D103-S105 PolarHBondContact O-N 3.14Å; D103-S105 PolarHBondContact OD1-N 3.25Å; D103-C106 HydrophobicContact CB-CB 4.09Å; D103-A150 CarbonylContact O-C 3.57Å; D103-A150 VanDerWaalsContact O-CA 3.3Å; D103-A150 WeakPolarHBondContact O-CA 3.24Å; D103-Y151 PolarHBondContact N-O 3.13Å; D103-Y151 PolarHBondContact O-N 2.8Å; D103-P153 HydrophobicContact CB-CG 3.79Å
104	A	91.2	Very high	83.6	Confident	85 Å²	85	44.9 Å²	44.9	70%	0.702	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	-19.3	178.8	0	0	0	0	0	112.5
105	S	92.5	Very high	85.4	Confident	65 Å²	65	40.4 Å²	40.4	46%	0.455	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	53.5	-179.2	-177.4	0	0	0	0	110.4	D103 N107 H148	D103-S105 PolarHBondContact O-N 3.14Å; D103-S105 PolarHBondContact OD1-N 3.25Å; S105-N107 PolarHBondContact O-N 2.93Å; S105-N107 VanDerWaalsContact O-N 3.13Å; S105-H148 PolarHBondContact O-CD2 2.63Å; S105-H148 PolarHBondContact OG-CD2 3.26Å
106	C	93.5	Very high	87.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	114.9	177.2	-178.9	0	0	0	0	110.2	D103 V108 H148 V149 P153	D103-C106 HydrophobicContact CB-CB 4.09Å; C106-V108 PolarHBondContact O-N 2.73Å; C106-H148 WeakPolarHBondContact O-CA 3.45Å; C106-V149 WeakPolarHBondContact CB-O 3.46Å; C106-V149 PolarHBondContact N-O 3Å; C106-V149 PolarHBondContact O-N 2.85Å; C106-P153 HydrophobicContact CB-CG 4.41Å
107	N	94.8	Very high	89.2	Confident	49 Å²	49	40.3 Å²	40.3	26%	0.262	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	106.1	171.4	-178.8	-20.6	0	0	0	109.4	S105 E109 A110 V111	S105-N107 PolarHBondContact O-N 2.93Å; S105-N107 VanDerWaalsContact O-N 3.13Å; N107-E109 PolarHBondContact O-N 2.93Å; N107-E109 PolarHBondContact OD1-N 3.29Å; N107-E109 VanDerWaalsContact OD1-N 3.11Å; N107-A110 HydrophobicContact CB-CB 4.06Å; N107-A110 PolarHBondContact OD1-N 2.98Å; N107-A110 VanDerWaalsContact OD1-N 3.13Å; N107-V111 WeakPolarHBondContact O-CG2 3.47Å; N107-V111 PolarHBondContact O-N 2.95Å
108	V	96.1	Very high	90.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-39.1	-174.7	174.9	0	0	0	0	111.6	C106 V111 I112 I147 V149 L156 F191 L198 I200	C106-V108 PolarHBondContact O-N 2.73Å; V108-V111 PolarHBondContact O-N 3Å; V108-I112 HydrophobicContact CG1-CD1 3.72Å; V108-I112 HydrophobicContact CG1-CG1 4.41Å; V108-I112 VanDerWaalsContact O-CG1 3.29Å; V108-I112 WeakPolarHBondContact O-CG1 3.41Å; V108-I112 PolarHBondContact O-N 3.46Å; V108-I112 VanDerWaalsContact O-N 3.09Å; V108-I147 HydrophobicContact CB-CB 4.43Å; V108-I147 HydrophobicContact CB-CG2 3.98Å; V108-I147 HydrophobicContact CG2-CG2 3.74Å; V108-I147 PolarHBondContact N-O 3.41Å; V108-I147 VanDerWaalsContact N-O 3.09Å; V108-V149 HydrophobicContact CG2-CG2 3.71Å; V108-L156 HydrophobicContact CG1-CD2 4.25Å; V108-L156 HydrophobicContact CG2-CD2 4.42Å; V108-F191 HydrophobicContact CG1-CD2 4.13Å; V108-L198 HydrophobicContact CG1-CD1 4.49Å; V108-L198 HydrophobicContact CG1-CD2 4.21Å; V108-L198 HydrophobicContact CG2-CD2 3.66Å; V108-I200 HydrophobicContact CG1-CD1 4.13Å
109	E	96.4	Very high	92.2	Very high	32 Å²	32	35.8 Å²	35.8	15%	0.15	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-48.4	-179.7	-176.4	170.7	-160.7	0	0	110.8	N107 V111 I112 E113 K135 F191	N107-E109 PolarHBondContact O-N 2.93Å; N107-E109 PolarHBondContact OD1-N 3.29Å; N107-E109 VanDerWaalsContact OD1-N 3.11Å; E109-V111 VanDerWaalsContact C-N 3.32Å; E109-V111 PolarHBondContact O-N 3.33Å; E109-I112 PolarHBondContact O-N 2.93Å; E109-I112 VanDerWaalsContact O-N 3.14Å; E109-E113 HydrophobicContact CG-CG 4.47Å; E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.23Å; E109-K135 WeakPolarHBondContact OE1-CE 3.5Å; E109-K135 IonicContact OE1-NZ 3.03Å; E109-K135 PolarHBondContact OE1-NZ 3.02Å; E109-F191 HydrophobicContact CB-CE2 4.14Å; E109-F191 HydrophobicContact CB-CZ 3.81Å; E109-F191 HydrophobicContact CG-CZ 3.93Å
110	A	95.8	Very high	93.4	Very high	35 Å²	35	38.3 Å²	38.3	29%	0.289	22%	0.217	S	C	.	.	H	α-helix	trans	-59.1	-40.9	179.8	0	0	0	0	0	112.6	N107 E114	N107-A110 HydrophobicContact CB-CB 4.06Å; N107-A110 PolarHBondContact OD1-N 2.98Å; N107-A110 VanDerWaalsContact OD1-N 3.13Å; A110-E114 WeakPolarHBondContact O-CB 3.5Å; A110-E114 PolarHBondContact O-N 3.31Å
111	V	96.1	Very high	94.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68	-38.7	177.9	178.4	0	0	0	0	111.8	M96 N107 V108 E109 A115 P153 L156	M96-V111 HydrophobicContact CE-CG2 3.46Å; M96-V111 VanDerWaalsContact CE-CG2 3.46Å; N107-V111 WeakPolarHBondContact O-CG2 3.47Å; N107-V111 PolarHBondContact O-N 2.95Å; V108-V111 PolarHBondContact O-N 3Å; E109-V111 VanDerWaalsContact C-N 3.32Å; E109-V111 PolarHBondContact O-N 3.33Å; V111-A115 VanDerWaalsContact O-CB 3.3Å; V111-A115 WeakPolarHBondContact O-CB 3.45Å; V111-A115 PolarHBondContact O-N 2.9Å; V111-P153 HydrophobicContact CG2-CB 4.01Å; V111-L156 HydrophobicContact CB-CD2 3.93Å; V111-L156 HydrophobicContact CB-CG 4.34Å; V111-L156 HydrophobicContact CG1-CB 4.04Å; V111-L156 HydrophobicContact CG1-CD2 3.85Å; V111-L156 HydrophobicContact CG1-CG 3.7Å; V111-L156 HydrophobicContact CG2-CD2 4.39Å
112	I	97.3	Very high	94.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-44.4	177.5	-72.4	172.1	0	0	0	110.6	V108 E109 A115 F116 T160 F164 V189 F191 I200	V108-I112 HydrophobicContact CG1-CD1 3.72Å; V108-I112 HydrophobicContact CG1-CG1 4.41Å; V108-I112 VanDerWaalsContact O-CG1 3.29Å; V108-I112 WeakPolarHBondContact O-CG1 3.41Å; V108-I112 PolarHBondContact O-N 3.46Å; V108-I112 VanDerWaalsContact O-N 3.09Å; E109-I112 PolarHBondContact O-N 2.93Å; E109-I112 VanDerWaalsContact O-N 3.14Å; I112-A115 PolarHBondContact O-N 2.92Å; I112-F116 WeakPolarHBondContact O-CB 3.48Å; I112-F116 PolarHBondContact O-N 3.44Å; I112-T160 HydrophobicContact CG1-CG2 4.15Å; I112-F164 HydrophobicContact CG2-CE2 3.95Å; I112-F164 HydrophobicContact CG2-CZ 3.79Å; I112-V189 HydrophobicContact CD1-CG2 4.4Å; I112-V189 HydrophobicContact CG2-CG1 4.21Å; I112-V189 HydrophobicContact CG2-CG2 3.92Å; I112-F191 HydrophobicContact CD1-CB 4.33Å; I112-F191 HydrophobicContact CD1-CD1 3.71Å; I112-F191 HydrophobicContact CD1-CE1 4.13Å; I112-F191 HydrophobicContact CD1-CG 3.99Å; I112-I200 HydrophobicContact CD1-CD1 4.15Å; I112-I200 HydrophobicContact CD1-CG1 4.37Å; I112-I200 HydrophobicContact CD1-CG2 3.96Å
113	E	97.3	Very high	95.2	Very high	65 Å²	65	38 Å²	38	30%	0.304	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-48.5	177.6	-72.2	-176.7	150.6	0	0	111.3	E109 A115 F116 D117 M133 K135	E109-E113 HydrophobicContact CG-CG 4.47Å; E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.23Å; E113-A115 VanDerWaalsContact C-N 3.31Å; E113-A115 PolarHBondContact O-N 2.96Å; E113-F116 PolarHBondContact O-N 3.3Å; E113-F116 VanDerWaalsContact O-N 3.12Å; E113-D117 PolarHBondContact O-N 2.92Å; E113-M133 HydrophobicContact CG-CE 4.12Å; E113-K135 IonicContact OE1-NZ 3.74Å; E113-K135 PolarHBondContact OE1-NZ 3.18Å
114	E	96.2	Very high	95.4	Very high	66 Å²	66	39.5 Å²	39.5	31%	0.308	22%	0.223	S	C	.	.	H	α-helix	trans	-59.3	-41.8	177.5	-169.6	179.4	-154.4	0	0	112.2	H97 A110 A118 Y157	H97-E114 VanDerWaalsContact CE1-CD 3.41Å; H97-E114 IonicContact CE1-OE1 3.64Å; H97-E114 PolarHBondContact CE1-OE1 3.3Å; H97-E114 IonicContact CE1-OE2 3.48Å; H97-E114 IonicContact CG-OE2 2.88Å; H97-E114 IonicContact ND1-OE1 3.45Å; H97-E114 PolarHBondContact ND1-OE1 3.1Å; H97-E114 IonicContact ND1-OE2 2.63Å; H97-E114 PolarHBondContact ND1-OE2 2.99Å; A110-E114 WeakPolarHBondContact O-CB 3.5Å; A110-E114 PolarHBondContact O-N 3.31Å; E114-A118 WeakPolarHBondContact O-CB 3.47Å; E114-A118 PolarHBondContact O-N 2.92Å; E114-A118 VanDerWaalsContact O-N 3.15Å; E114-Y157 HydrophobicContact CB-CE2 4.36Å; E114-Y157 HydrophobicContact CG-CD2 4.42Å; E114-Y157 HydrophobicContact CG-CE2 3.97Å
115	A	96.8	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-39	176.3	0	0	0	0	0	112.4	V111 I112 E113 A119 Y157 T160 F161 F164	V111-A115 VanDerWaalsContact O-CB 3.3Å; V111-A115 WeakPolarHBondContact O-CB 3.45Å; V111-A115 PolarHBondContact O-N 2.9Å; I112-A115 PolarHBondContact O-N 2.92Å; E113-A115 VanDerWaalsContact C-N 3.31Å; E113-A115 PolarHBondContact O-N 2.96Å; A115-A119 VanDerWaalsContact O-CB 3.32Å; A115-A119 WeakPolarHBondContact O-CB 3.2Å; A115-A119 PolarHBondContact O-N 3.17Å; A115-A119 VanDerWaalsContact O-N 3.08Å; A115-Y157 VanDerWaalsContact CA-CE2 3.46Å; A115-Y157 HydrophobicContact CB-CD2 3.76Å; A115-Y157 HydrophobicContact CB-CE2 3.9Å; A115-Y157 HydrophobicContact CB-CG 4.42Å; A115-T160 WeakPolarHBondContact CB-OG1 3.34Å; A115-F161 HydrophobicContact CB-CB 4.09Å; A115-F164 HydrophobicContact CB-CD2 4.22Å; A115-F164 HydrophobicContact CB-CE2 4.38Å
116	F	98	Very high	95.4	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-48.1	176.7	-178.3	-91.9	0	0	0	111.1	I112 E113 A118 A119 Q120 M133 F164 L168 V187	I112-F116 WeakPolarHBondContact O-CB 3.48Å; I112-F116 PolarHBondContact O-N 3.44Å; E113-F116 PolarHBondContact O-N 3.3Å; E113-F116 VanDerWaalsContact O-N 3.12Å; F116-A118 VanDerWaalsContact C-N 3.32Å; F116-A118 PolarHBondContact O-N 2.97Å; F116-A119 CarbonylContact O-C 3.53Å; F116-A119 PolarHBondContact O-N 3.28Å; F116-A119 VanDerWaalsContact O-N 3.12Å; F116-Q120 HydrophobicContact CD1-CB 4.37Å; F116-Q120 HydrophobicContact CE1-CB 3.99Å; F116-Q120 HydrophobicContact CE1-CG 4.19Å; F116-Q120 HydrophobicContact CZ-CB 4.37Å; F116-Q120 HydrophobicContact CZ-CG 4.45Å; F116-Q120 VanDerWaalsContact O-CB 3.29Å; F116-Q120 WeakPolarHBondContact O-CB 2.99Å; F116-Q120 PolarHBondContact O-N 3.08Å; F116-M133 HydrophobicContact CB-CE 4.44Å; F116-M133 HydrophobicContact CB-SD 3.87Å; F116-M133 HydrophobicContact CD1-CB 3.88Å; F116-M133 HydrophobicContact CD1-CE 4.33Å; F116-M133 HydrophobicContact CD1-SD 4.17Å; F116-M133 HydrophobicContact CD2-CB 3.99Å; F116-M133 HydrophobicContact CD2-CG 4.17Å; F116-M133 HydrophobicContact CD2-SD 3.89Å; F116-M133 HydrophobicContact CE1-CB 3.61Å; F116-M133 HydrophobicContact CE2-CB 3.72Å; F116-M133 HydrophobicContact CE2-CG 4.27Å; F116-M133 HydrophobicContact CG-CB 4.08Å; F116-M133 HydrophobicContact CG-CE 4.34Å; F116-M133 HydrophobicContact CG-CG 4.35Å; F116-M133 HydrophobicContact CG-SD 3.68Å; F116-M133 HydrophobicContact CZ-CB 3.54Å; F116-F164 HydrophobicContact CB-CD2 3.99Å; F116-F164 HydrophobicContact CB-CE2 3.83Å; F116-F164 HydrophobicContact CB-CG 4.46Å; F116-F164 HydrophobicContact CB-CZ 4.17Å; F116-F164 AromaticContact CD2-CD1 3.69Å; F116-F164 HydrophobicContact CD2-CD1 3.69Å; F116-F164 HydrophobicContact CD2-CD2 4.34Å; F116-F164 AromaticContact CD2-CE1 3.8Å; F116-F164 HydrophobicContact CD2-CE1 3.8Å; F116-F164 HydrophobicContact CD2-CE2 4.43Å; F116-F164 AromaticContact CD2-CG 3.98Å; F116-F164 HydrophobicContact CD2-CG 3.98Å; F116-F164 HydrophobicContact CD2-CZ 4.17Å; F116-F164 HydrophobicContact CE2-CD1 4.39Å; F116-L168 HydrophobicContact CE2-CD2 3.98Å; F116-L168 HydrophobicContact CZ-CD2 4.2Å; F116-V187 HydrophobicContact CE2-CB 4.41Å
117	D	97.1	Very high	95.3	Very high	96 Å²	96	42 Å²	42	51%	0.513	22%	0.218	S	C	.	.	H	α-helix	trans	-59.9	-43.3	-178.8	-71.4	-12.6	0	0	0	111.3	E113 Q120 F121	E113-D117 PolarHBondContact O-N 2.92Å; D117-Q120 PolarHBondContact O-N 3.49Å; D117-F121 WeakPolarHBondContact O-CB 3.19Å; D117-F121 PolarHBondContact O-N 3.05Å
118	A	94.8	Very high	95.2	Very high	29 Å²	29	46.9 Å²	46.9	24%	0.24	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-43.7	174.9	0	0	0	0	0	112.2	E114 F116 M122 Y157 F161	E114-A118 WeakPolarHBondContact O-CB 3.47Å; E114-A118 PolarHBondContact O-N 2.92Å; E114-A118 VanDerWaalsContact O-N 3.15Å; F116-A118 VanDerWaalsContact C-N 3.32Å; F116-A118 PolarHBondContact O-N 2.97Å; A118-M122 WeakPolarHBondContact O-CE 3.32Å; A118-M122 PolarHBondContact O-N 3.38Å; A118-Y157 VanDerWaalsContact CB-OH 3.24Å; A118-Y157 WeakPolarHBondContact CB-OH 3.28Å; A118-F161 HydrophobicContact CB-CD2 4.09Å; A118-F161 HydrophobicContact CB-CE2 3.85Å
119	A	96.3	Very high	95.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-39.4	176.6	0	0	0	0	0	112.4	A115 F116 M122 C123 F161 F164 K165 L168	A115-A119 VanDerWaalsContact O-CB 3.32Å; A115-A119 WeakPolarHBondContact O-CB 3.2Å; A115-A119 PolarHBondContact O-N 3.17Å; A115-A119 VanDerWaalsContact O-N 3.08Å; F116-A119 CarbonylContact O-C 3.53Å; F116-A119 PolarHBondContact O-N 3.28Å; F116-A119 VanDerWaalsContact O-N 3.12Å; A119-M122 HydrophobicContact CB-CE 4.39Å; A119-M122 PolarHBondContact O-N 3.32Å; A119-C123 WeakPolarHBondContact O-CB 3.1Å; A119-C123 PolarHBondContact O-N 3.31Å; A119-F161 HydrophobicContact CB-CD2 4.24Å; A119-F164 HydrophobicContact CB-CB 3.61Å; A119-K165 HydrophobicContact CB-CG 4.23Å; A119-L168 VanDerWaalsContact C-CD1 3.46Å; A119-L168 HydrophobicContact CB-CD1 3.73Å; A119-L168 WeakPolarHBondContact O-CD1 3.24Å
120	Q	96.4	Very high	95.2	Very high	59 Å²	59	45.8 Å²	45.8	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-66.3	-44.8	177.9	-167.6	-178.7	56	0	0	110.9	F116 D117 M122 C123 D124 A130 P131 L168	F116-Q120 HydrophobicContact CD1-CB 4.37Å; F116-Q120 HydrophobicContact CE1-CB 3.99Å; F116-Q120 HydrophobicContact CE1-CG 4.19Å; F116-Q120 HydrophobicContact CZ-CB 4.37Å; F116-Q120 HydrophobicContact CZ-CG 4.45Å; F116-Q120 VanDerWaalsContact O-CB 3.29Å; F116-Q120 WeakPolarHBondContact O-CB 2.99Å; F116-Q120 PolarHBondContact O-N 3.08Å; D117-Q120 PolarHBondContact O-N 3.49Å; Q120-M122 VanDerWaalsContact C-N 3.31Å; Q120-M122 PolarHBondContact O-N 3.45Å; Q120-C123 WeakPolarHBondContact O-CB 3.5Å; Q120-C123 PolarHBondContact O-N 2.75Å; Q120-C123 VanDerWaalsContact O-N 3.11Å; Q120-D124 WeakPolarHBondContact O-CB 3.35Å; Q120-D124 PolarHBondContact O-N 3.09Å; Q120-A130 HydrophobicContact CG-CB 3.57Å; Q120-P131 PolarHBondContact NE2-O 3.03Å; Q120-L168 HydrophobicContact CB-CD1 4.45Å
121	F	95.3	Very high	95.3	Very high	145 Å²	145	44.1 Å²	44.1	64%	0.636	23%	0.226	S	C	*	.	H	α-helix	trans	-57.1	-42.8	176.5	178.6	-97.3	0	0	0	112.5	D117 S125	D117-F121 WeakPolarHBondContact O-CB 3.19Å; D117-F121 PolarHBondContact O-N 3.05Å; F121-S125 VanDerWaalsContact O-CB 3.3Å; F121-S125 WeakPolarHBondContact O-CB 3.33Å; F121-S125 PolarHBondContact O-N 3.45Å; F121-S125 PolarHBondContact O-OG 2.93Å
122	M	93.3	Very high	95.3	Very high	22 Å²	22	49.2 Å²	49.2	11%	0.108	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-37.6	175.8	-67.2	-178.8	-64.4	0	0	112.7	A118 A119 Q120 S125 K126 F161 K165 C234 M236	A118-M122 WeakPolarHBondContact O-CE 3.32Å; A118-M122 PolarHBondContact O-N 3.38Å; A119-M122 HydrophobicContact CB-CE 4.39Å; A119-M122 PolarHBondContact O-N 3.32Å; Q120-M122 VanDerWaalsContact C-N 3.31Å; Q120-M122 PolarHBondContact O-N 3.45Å; M122-S125 PolarHBondContact O-N 3.2Å; M122-K126 WeakPolarHBondContact O-CB 3.24Å; M122-K126 PolarHBondContact O-N 3.04Å; M122-K126 VanDerWaalsContact O-N 3.13Å; M122-F161 HydrophobicContact CE-CD2 4.22Å; M122-F161 HydrophobicContact CE-CE1 4.22Å; M122-F161 HydrophobicContact CE-CE2 3.15Å; M122-F161 HydrophobicContact CE-CZ 3.17Å; M122-F161 HydrophobicContact SD-CE2 4.26Å; M122-F161 HydrophobicContact SD-CZ 3.86Å; M122-K165 HydrophobicContact CE-CD 3.51Å; M122-K165 HydrophobicContact CE-CG 3.47Å; M122-K165 VanDerWaalsContact CE-CG 3.47Å; M122-K165 HydrophobicContact SD-CD 4.31Å; M122-C234 HydrophobicContact SD-CB 4.25Å; M122-C234 PolarHBondContact SD-SG 3.08Å; M122-M236 HydrophobicContact CB-CG 4.25Å; M122-M236 HydrophobicContact CB-SD 3.45Å; M122-M236 WeakPolarHBondContact CB-SD 3.25Å; M122-M236 HydrophobicContact CE-SD 4.47Å
123	C	94.2	Very high	95.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-48.3	177.9	-174	0	0	0	0	110.1	A119 Q120 K126 Y127 A130 L168 M236	A119-C123 WeakPolarHBondContact O-CB 3.1Å; A119-C123 PolarHBondContact O-N 3.31Å; Q120-C123 WeakPolarHBondContact O-CB 3.5Å; Q120-C123 PolarHBondContact O-N 2.75Å; Q120-C123 VanDerWaalsContact O-N 3.11Å; C123-K126 PolarHBondContact O-N 2.88Å; C123-Y127 WeakPolarHBondContact O-CD2 3.39Å; C123-Y127 PolarHBondContact O-N 2.91Å; C123-A130 HydrophobicContact CB-CB 3.94Å; C123-L168 HydrophobicContact CB-CB 4.14Å; C123-L168 HydrophobicContact CB-CD1 4.13Å; C123-M236 VanDerWaalsContact CA-SD 3.58Å; C123-M236 HydrophobicContact CB-CE 3.63Å; C123-M236 HydrophobicContact CB-SD 4.02Å; C123-M236 PolarHBondContact N-SD 2.92Å
124	D	93.9	Very high	95.4	Very high	76 Å²	76	51 Å²	51	41%	0.406	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-43.5	177.2	-167.2	56.7	0	0	0	111.5	Q120 K126 L128 T129 A130	Q120-D124 WeakPolarHBondContact O-CB 3.35Å; Q120-D124 PolarHBondContact O-N 3.09Å; D124-K126 PolarHBondContact O-N 3.33Å; D124-L128 WeakPolarHBondContact O-CA 3.22Å; D124-L128 PolarHBondContact O-N 2.91Å; D124-T129 WeakPolarHBondContact OD1-CA 3.32Å; D124-T129 PolarHBondContact OD1-N 3.25Å; D124-A130 HydrophobicContact CB-CB 4.28Å
125	S	92.7	Very high	95.4	Very high	74 Å²	74	52.5 Å²	52.5	52%	0.517	26%	0.259	S	S	.	.	H	α-helix	trans	-59.4	-31.1	175.7	-63.4	0	0	0	0	113.2	F121 M122	F121-S125 VanDerWaalsContact O-CB 3.3Å; F121-S125 WeakPolarHBondContact O-CB 3.33Å; F121-S125 PolarHBondContact O-N 3.45Å; F121-S125 PolarHBondContact O-OG 2.93Å; M122-S125 PolarHBondContact O-N 3.2Å
126	K	90.4	Very high	95.4	Very high	98 Å²	98	57.9 Å²	57.9	43%	0.426	28%	0.283	S	S	.	.	H	α-helix	trans	-90.1	-44	-178.3	-178.4	173.7	179.4	-180	0	113.4	M122 C123 D124 M236	M122-K126 WeakPolarHBondContact O-CB 3.24Å; M122-K126 PolarHBondContact O-N 3.04Å; M122-K126 VanDerWaalsContact O-N 3.13Å; C123-K126 PolarHBondContact O-N 2.88Å; D124-K126 PolarHBondContact O-N 3.33Å; K126-M236 HydrophobicContact CB-CG 4.02Å; K126-M236 HydrophobicContact CD-CB 3.63Å; K126-M236 HydrophobicContact CD-CG 3.72Å
127	Y	92.2	Very high	95.3	Very high	29 Å²	29	60.9 Å²	60.9	11%	0.114	30%	0.296	C	S	.	.	H	α-helix	trans	-108.2	-3.6	-171.1	-59.1	-75.6	0	0	0	113.3	C123 T129 V172 E173 V177 M236	C123-Y127 WeakPolarHBondContact O-CD2 3.39Å; C123-Y127 PolarHBondContact O-N 2.91Å; Y127-T129 PolarHBondContact O-N 2.88Å; Y127-T129 VanDerWaalsContact O-N 3.16Å; Y127-V172 HydrophobicContact CD1-CG1 3.94Å; Y127-V172 HydrophobicContact CD2-CG1 4.22Å; Y127-V172 HydrophobicContact CG-CB 4.5Å; Y127-V172 HydrophobicContact CG-CG1 3.73Å; Y127-E173 HydrophobicContact CE1-CG 4.27Å; Y127-E173 PolarHBondContact OH-OE1 3.13Å; Y127-V177 HydrophobicContact CD1-CG1 3.77Å; Y127-M236 HydrophobicContact CE2-CB 4.47Å; Y127-M236 HydrophobicContact CE2-CG 4.27Å
128	L	93.5	Very high	95.2	Very high	152 Å²	152	60.1 Å²	60.1	80%	0.796	29%	0.289	S	S	*	.	S	Bend	trans	58.5	17.8	-174.5	-53.8	175.1	0	0	0	113.8	D124	D124-L128 WeakPolarHBondContact O-CA 3.22Å; D124-L128 PolarHBondContact O-N 2.91Å
129	T	94.9	Very high	95.3	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.031	28%	0.28	C	S	.	.			trans	-159.1	152.8	176	-170.7	0	0	0	0	108.6	D124 Y127 V172 K179 L184	D124-T129 WeakPolarHBondContact OD1-CA 3.32Å; D124-T129 PolarHBondContact OD1-N 3.25Å; Y127-T129 PolarHBondContact O-N 2.88Å; Y127-T129 VanDerWaalsContact O-N 3.16Å; T129-V172 HydrophobicContact CG2-CG1 4.15Å; T129-V172 HydrophobicContact CG2-CG2 4.46Å; T129-K179 WeakPolarHBondContact CB-O 3.23Å; T129-K179 PolarHBondContact OG1-O 3.06Å; T129-L184 HydrophobicContact CG2-CD1 4.01Å
130	A	96.3	Very high	95.2	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.033	30%	0.301	C	S	.	.			trans	-149.7	142.7	173.3	0	0	0	0	0	111	Q120 C123 D124 P181	Q120-A130 HydrophobicContact CG-CB 3.57Å; C123-A130 HydrophobicContact CB-CB 3.94Å; D124-A130 HydrophobicContact CB-CB 4.28Å; A130-P181 WeakPolarHBondContact O-CB 3.32Å
131	P	97.4	Very high	95	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-57.7	147.6	171	-22.8	30.3	0	0	0	112	Q120 L168 T171 V172 L184 V187	Q120-P131 PolarHBondContact NE2-O 3.03Å; P131-L168 HydrophobicContact CB-CD2 3.88Å; P131-L168 HydrophobicContact CG-CD2 3.86Å; P131-T171 HydrophobicContact CB-CG2 4.32Å; P131-T171 HydrophobicContact CG-CG2 3.59Å; P131-V172 HydrophobicContact CG-CG2 4.21Å; P131-L184 HydrophobicContact CB-CB 4.44Å; P131-L184 HydrophobicContact CG-CB 4.32Å; P131-L184 HydrophobicContact CG-CD1 4.16Å; P131-V187 HydrophobicContact CB-CG2 4.16Å
132	R	97.6	Very high	94.8	Very high	107 Å²	107	58.8 Å²	58.8	40%	0.404	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-79.4	159.7	169.8	69.6	-169.9	-176.3	103.4	9.7	111.8	E134 P186 V187	R132-E134 IonicContact CZ-OE1 2.93Å; R132-E134 IonicContact NH1-OE1 3.84Å; R132-E134 IonicContact NH2-OE1 3.8Å; R132-E134 PolarHBondContact NH2-OE1 2.93Å; R132-P186 HydrophobicContact CG-CB 3.78Å; R132-P186 CarbonylContact O-C 3.6Å; R132-P186 WeakPolarHBondContact O-CA 3.34Å; R132-P186 WeakPolarHBondContact O-CB 3.44Å; R132-V187 PolarHBondContact O-N 2.69Å
133	M	98	Very high	94.7	Very high	43 Å²	43	64.6 Å²	64.6	21%	0.212	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	138.3	171.7	-171	170.1	59.4	0	0	111.3	E113 F116 F164 V187 V189	E113-M133 HydrophobicContact CG-CE 4.12Å; F116-M133 HydrophobicContact CB-CE 4.44Å; F116-M133 HydrophobicContact CB-SD 3.87Å; F116-M133 HydrophobicContact CD1-CB 3.88Å; F116-M133 HydrophobicContact CD1-CE 4.33Å; F116-M133 HydrophobicContact CD1-SD 4.17Å; F116-M133 HydrophobicContact CD2-CB 3.99Å; F116-M133 HydrophobicContact CD2-CG 4.17Å; F116-M133 HydrophobicContact CD2-SD 3.89Å; F116-M133 HydrophobicContact CE1-CB 3.61Å; F116-M133 HydrophobicContact CE2-CB 3.72Å; F116-M133 HydrophobicContact CE2-CG 4.27Å; F116-M133 HydrophobicContact CG-CB 4.08Å; F116-M133 HydrophobicContact CG-CE 4.34Å; F116-M133 HydrophobicContact CG-CG 4.35Å; F116-M133 HydrophobicContact CG-SD 3.68Å; F116-M133 HydrophobicContact CZ-CB 3.54Å; M133-F164 HydrophobicContact SD-CZ 4.4Å; M133-V187 WeakPolarHBondContact CA-O 3.27Å; M133-V189 HydrophobicContact CG-CG1 3.79Å; M133-V189 HydrophobicContact SD-CG1 3.5Å; M133-V189 VanDerWaalsContact SD-CG1 3.5Å
134	E	97.8	Very high	94.5	Very high	61 Å²	61	67.5 Å²	67.5	29%	0.285	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116	161	-79.7	-177.5	179.8	0	0	108.7	R132 P186 V187 K188 V189	R132-E134 IonicContact CZ-OE1 2.93Å; R132-E134 IonicContact NH1-OE1 3.84Å; R132-E134 IonicContact NH2-OE1 3.8Å; R132-E134 PolarHBondContact NH2-OE1 2.93Å; E134-P186 HydrophobicContact CB-CB 4.29Å; E134-P186 HydrophobicContact CG-CB 3.74Å; E134-P186 HydrophobicContact CG-CG 3.86Å; E134-P186 WeakPolarHBondContact OE1-CG 3.2Å; E134-V187 PolarHBondContact N-O 3.4Å; E134-K188 HydrophobicContact CB-CG 4.19Å; E134-K188 CarbonylContact O-C 3.54Å; E134-K188 VanDerWaalsContact O-CA 3.3Å; E134-K188 WeakPolarHBondContact O-CA 3.36Å; E134-K188 WeakPolarHBondContact OE2-CE 3.47Å; E134-K188 IonicContact OE2-NZ 3.52Å; E134-K188 PolarHBondContact OE2-NZ 2.86Å; E134-V189 PolarHBondContact O-N 2.91Å
135	K	96.9	Very high	94.5	Very high	98 Å²	98	69.3 Å²	69.3	43%	0.426	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	144.9	-179.5	65.3	177.3	171.5	174.4	0	112.5	E109 E113 V189	E109-K135 WeakPolarHBondContact OE1-CE 3.5Å; E109-K135 IonicContact OE1-NZ 3.03Å; E109-K135 PolarHBondContact OE1-NZ 3.02Å; E113-K135 IonicContact OE1-NZ 3.74Å; E113-K135 PolarHBondContact OE1-NZ 3.18Å; K135-V189 CarbonylContact C-O 3.51Å; K135-V189 WeakPolarHBondContact CA-O 3.5Å; K135-V189 HydrophobicContact CB-CG1 3.78Å
136	F	96.5	Very high	94.5	Very high	113 Å²	113	68.2 Å²	68.2	50%	0.496	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.3	169.2	176.7	-94.4	0	0	0	108.7	H138 V189 S190 F191 F192	F136-H138 HydrophobicContact CE1-CB 4.2Å; F136-V189 PolarHBondContact N-O 2.95Å; F136-S190 WeakPolarHBondContact O-CA 3.3Å; F136-F191 PolarHBondContact O-N 3.04Å; F136-F191 VanDerWaalsContact O-N 3.08Å; F136-F192 HydrophobicContact CD1-CE1 4.16Å; F136-F192 HydrophobicContact CD1-CZ 4.33Å; F136-F192 AromaticContact CE1-CE1 3.82Å; F136-F192 HydrophobicContact CE1-CE1 3.82Å; F136-F192 HydrophobicContact CE1-CZ 4.4Å
137	F	95.2	Very high	94.8	Very high	67 Å²	67	63.5 Å²	63.5	29%	0.294	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.1	173.5	70.3	-92.5	0	0	0	112.3	I147 F191	F137-I147 HydrophobicContact CB-CD1 4.35Å; F137-F191 VanDerWaalsContact CA-O 3.24Å; F137-F191 WeakPolarHBondContact CA-O 3.47Å; F137-F191 HydrophobicContact CB-CD1 4.21Å; F137-F191 HydrophobicContact CB-CD2 3.61Å; F137-F191 HydrophobicContact CB-CE1 3.92Å; F137-F191 HydrophobicContact CB-CE2 3.26Å; F137-F191 HydrophobicContact CB-CG 4.06Å; F137-F191 HydrophobicContact CB-CZ 3.43Å; F137-F191 VanDerWaalsContact CB-CZ 3.43Å; F137-F191 HydrophobicContact CD1-CE2 4.37Å; F137-F191 HydrophobicContact CD1-CZ 4.02Å; F137-F191 AromaticContact CG-CE2 3.87Å; F137-F191 HydrophobicContact CG-CE2 3.87Å; F137-F191 AromaticContact CG-CZ 3.96Å; F137-F191 HydrophobicContact CG-CZ 3.96Å
138	H	95.9	Very high	94.9	Very high	81 Å²	81	66 Å²	66	38%	0.375	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	117.5	176.7	179.1	71.8	0	0	0	110.4	F136 F191 F192 L193	F136-H138 HydrophobicContact CE1-CB 4.2Å; H138-F191 PolarHBondContact N-O 3.06Å; H138-F192 HydrophobicContact CB-CD1 3.97Å; H138-F192 WeakPolarHBondContact O-CA 3.45Å; H138-L193 PolarHBondContact O-N 2.76Å
139	N	96.4	Very high	94.9	Very high	9 Å²	9	59.2 Å²	59.2	5%	0.048	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	105.2	174.6	-176.1	-13.8	0	0	0	109.3	L141 S142 I143 E145 I147	N139-L141 VanDerWaalsContact C-N 3.3Å; N139-L141 WeakPolarHBondContact OD1-CB 3.26Å; N139-L141 PolarHBondContact OD1-N 2.98Å; N139-S142 VanDerWaalsContact CB-O 3.31Å; N139-S142 WeakPolarHBondContact CB-O 3.3Å; N139-S142 VanDerWaalsContact CG-O 3.25Å; N139-S142 PolarHBondContact ND2-O 3.12Å; N139-S142 CarbonylContact O-C 3.59Å; N139-S142 PolarHBondContact OD1-N 3.39Å; N139-I143 WeakPolarHBondContact O-CA 3.5Å; N139-I143 PolarHBondContact O-N 3.24Å; N139-E145 WeakPolarHBondContact CB-O 3.47Å; N139-E145 PolarHBondContact ND2-O 3.37Å; N139-I147 HydrophobicContact CB-CD1 4.33Å; N139-I147 HydrophobicContact CB-CG1 3.84Å
140	A	94.3	Very high	94.8	Very high	54 Å²	54	61.6 Å²	61.6	45%	0.446	33%	0.333	S	S	.	.	S	Bend	trans	-75.2	-19.5	-178.9	0	0	0	0	0	113	L193	A140-L193 WeakPolarHBondContact CB-O 3.38Å; A140-L193 PolarHBondContact N-O 3.13Å
141	L	91.6	Very high	94.7	Very high	79 Å²	79	62 Å²	62	41%	0.414	33%	0.333	S	S	.	.	S	Bend	trans	-81.6	-31.9	177.2	-59.1	-177.8	0	0	0	112	N139 L193 N195	N139-L141 VanDerWaalsContact C-N 3.3Å; N139-L141 WeakPolarHBondContact OD1-CB 3.26Å; N139-L141 PolarHBondContact OD1-N 2.98Å; L141-L193 HydrophobicContact CD1-CD2 3.99Å; L141-L193 HydrophobicContact CD1-CG 4.17Å; L141-L193 HydrophobicContact CG-CD2 4.44Å; L141-L193 HydrophobicContact CG-CG 4.44Å; L141-N195 WeakPolarHBondContact CD2-OD1 3.01Å
142	S	92.2	Very high	94.5	Very high	62 Å²	62	62 Å²	62	43%	0.434	33%	0.333	S	S	.	.	S	Bend	trans	-151.8	93.3	179.7	-63	0	0	0	0	109.8	N139 G144 E145	N139-S142 VanDerWaalsContact CB-O 3.31Å; N139-S142 WeakPolarHBondContact CB-O 3.3Å; N139-S142 VanDerWaalsContact CG-O 3.25Å; N139-S142 PolarHBondContact ND2-O 3.12Å; N139-S142 CarbonylContact O-C 3.59Å; N139-S142 PolarHBondContact OD1-N 3.39Å; S142-G144 PolarHBondContact O-N 3.09Å; S142-E145 WeakPolarHBondContact O-CB 3.47Å; S142-E145 PolarHBondContact O-N 3.42Å; S142-E145 VanDerWaalsContact O-N 3.14Å
143	I	91.2	Very high	94.4	Very high	144 Å²	144	56.9 Å²	56.9	74%	0.738	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	126.8	-173.8	-59.8	172.7	0	0	0	110.3	N139 E145	N139-I143 WeakPolarHBondContact O-CA 3.5Å; N139-I143 PolarHBondContact O-N 3.24Å; I143-E145 VanDerWaalsContact C-N 3.29Å
144	G	89.3	Confident	94.2	Very high	61 Å²	61	55.2 Å²	55.2	63%	0.629	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-14.3	179.1	0	0	0	0	0	114.5	S142	S142-G144 PolarHBondContact O-N 3.09Å
145	E	93.6	Very high	94	Very high	115 Å²	115	52.3 Å²	52.3	54%	0.537	29%	0.294	S	S	.	.	S	Bend	trans	-83.6	147.2	177.8	-66.3	-62.5	149.2	0	0	111.8	N139 S142 I143	N139-E145 WeakPolarHBondContact CB-O 3.47Å; N139-E145 PolarHBondContact ND2-O 3.37Å; S142-E145 WeakPolarHBondContact O-CB 3.47Å; S142-E145 PolarHBondContact O-N 3.42Å; S142-E145 VanDerWaalsContact O-N 3.14Å; I143-E145 VanDerWaalsContact C-N 3.29Å
146	P	94.4	Very high	94	Very high	50 Å²	50	47.7 Å²	47.7	33%	0.325	27%	0.274	S	S	.	.			trans	-61	149.6	175.4	-16.7	28.3	0	0	0	112.1	H148	P146-H148 PolarHBondContact O-N 2.81Å; P146-H148 PolarHBondContact O-ND1 3.17Å
147	I	96	Very high	94	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.			trans	-85.2	114.7	-177.9	-70.6	170.1	0	0	0	109.8	V108 F137 N139 V149 F191 L193 L198	V108-I147 HydrophobicContact CB-CB 4.43Å; V108-I147 HydrophobicContact CB-CG2 3.98Å; V108-I147 HydrophobicContact CG2-CG2 3.74Å; V108-I147 PolarHBondContact N-O 3.41Å; V108-I147 VanDerWaalsContact N-O 3.09Å; F137-I147 HydrophobicContact CB-CD1 4.35Å; N139-I147 HydrophobicContact CB-CD1 4.33Å; N139-I147 HydrophobicContact CB-CG1 3.84Å; I147-V149 HydrophobicContact CG2-CG1 4.47Å; I147-F191 HydrophobicContact CB-CD2 4.45Å; I147-F191 HydrophobicContact CD1-CD2 3.6Å; I147-F191 HydrophobicContact CD1-CE2 4.06Å; I147-L193 HydrophobicContact CD1-CB 3.8Å; I147-L193 HydrophobicContact CG1-CB 3.83Å; I147-L193 HydrophobicContact CG1-CD2 4.38Å; I147-L193 HydrophobicContact CG2-CB 4Å; I147-L193 HydrophobicContact CG2-CD2 4.14Å; I147-L193 HydrophobicContact CG2-CG 4.47Å; I147-L198 HydrophobicContact CG2-CD1 3.79Å
148	H	94.1	Very high	94	Very high	82 Å²	82	43 Å²	43	38%	0.38	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.9	174.3	-63.8	89.4	0	0	0	110.2	S105 C106 P146	S105-H148 PolarHBondContact O-CD2 2.63Å; S105-H148 PolarHBondContact OG-CD2 3.26Å; C106-H148 WeakPolarHBondContact O-CA 3.45Å; P146-H148 PolarHBondContact O-N 2.81Å; P146-H148 PolarHBondContact O-ND1 3.17Å
149	V	93.4	Very high	94.1	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.9	178.5	-64.5	0	0	0	0	111.2	C106 V108 I147 Y151 L193 L198	C106-V149 WeakPolarHBondContact CB-O 3.46Å; C106-V149 PolarHBondContact N-O 3Å; C106-V149 PolarHBondContact O-N 2.85Å; V108-V149 HydrophobicContact CG2-CG2 3.71Å; I147-V149 HydrophobicContact CG2-CG1 4.47Å; V149-Y151 PolarHBondContact O-N 3.35Å; V149-L193 HydrophobicContact CG1-CD1 3.95Å; V149-L198 HydrophobicContact CG1-CB 4.5Å; V149-L198 HydrophobicContact CG1-CD2 4.14Å; V149-L198 HydrophobicContact CG2-CD2 3.87Å
150	A	93.2	Very high	94.1	Very high	56 Å²	56	38.7 Å²	38.7	46%	0.463	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	99.4	170.4	0	0	0	0	0	109.5	D103	D103-A150 CarbonylContact O-C 3.57Å; D103-A150 VanDerWaalsContact O-CA 3.3Å; D103-A150 WeakPolarHBondContact O-CA 3.24Å
151	Y	94	Very high	94.2	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	174	-176.2	-155.8	-106.3	0	0	0	112	D103 V149 P153 H155 L156 M159 F253 I273	D103-Y151 PolarHBondContact N-O 3.13Å; D103-Y151 PolarHBondContact O-N 2.8Å; V149-Y151 PolarHBondContact O-N 3.35Å; Y151-P153 WeakPolarHBondContact O-CD 3.32Å; Y151-H155 HydrophobicContact CE1-CB 4.03Å; Y151-L156 HydrophobicContact CD1-CB 4.16Å; Y151-L156 HydrophobicContact CE1-CB 4.32Å; Y151-M159 HydrophobicContact CE1-CE 4.22Å; Y151-F253 HydrophobicContact CD2-CD2 4.43Å; Y151-F253 HydrophobicContact CE2-CB 3.87Å; Y151-F253 AromaticContact CE2-CD2 3.69Å; Y151-F253 HydrophobicContact CE2-CD2 3.69Å; Y151-F253 HydrophobicContact CE2-CG 4.13Å; Y151-F253 AromaticContact CZ-CD2 3.89Å; Y151-I273 HydrophobicContact CD1-CD1 4.25Å; Y151-I273 HydrophobicContact CD2-CG2 3.48Å; Y151-I273 VanDerWaalsContact CD2-CG2 3.48Å; Y151-I273 HydrophobicContact CE1-CD1 3.87Å; Y151-I273 HydrophobicContact CE1-CG1 4.49Å; Y151-I273 HydrophobicContact CE2-CB 4.4Å; Y151-I273 HydrophobicContact CE2-CD1 4.34Å; Y151-I273 HydrophobicContact CE2-CG1 4.22Å; Y151-I273 HydrophobicContact CE2-CG2 3.37Å; Y151-I273 HydrophobicContact CG-CG2 4.2Å
152	S	93.7	Very high	94.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.203	C	C	.	.			trans	-88.5	114	171.9	-174	0	0	0	0	111.2	R101 A154 H155 L156	R101-S152 VanDerWaalsContact O-CA 3.23Å; R101-S152 WeakPolarHBondContact O-CA 3.22Å; R101-S152 WeakPolarHBondContact O-CB 3.22Å; R101-S152 PolarHBondContact O-OG 3.18Å; S152-A154 PolarHBondContact O-N 3.28Å; S152-H155 PolarHBondContact O-N 3.14Å; S152-L156 PolarHBondContact O-N 3.47Å; S152-L156 VanDerWaalsContact O-N 3.1Å
153	P	94.6	Very high	94.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-37.2	177.8	-22.4	32.6	0	0	0	112.2	M96 R101 D103 C106 V111 Y151 L156 Y157	M96-P153 HydrophobicContact CE-CB 4.33Å; M96-P153 HydrophobicContact CG-CB 4.41Å; R101-P153 WeakPolarHBondContact O-CD 3.41Å; D103-P153 HydrophobicContact CB-CG 3.79Å; C106-P153 HydrophobicContact CB-CG 4.41Å; V111-P153 HydrophobicContact CG2-CB 4.01Å; Y151-P153 WeakPolarHBondContact O-CD 3.32Å; P153-L156 PolarHBondContact O-N 3.36Å; P153-Y157 WeakPolarHBondContact O-CB 3.35Å; P153-Y157 PolarHBondContact O-N 3.18Å
154	A	93.3	Very high	95	Very high	8 Å²	8	25.4 Å²	25.4	7%	0.066	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-43.7	177.8	0	0	0	0	0	113	H97 C99 S152 H158	H97-A154 WeakPolarHBondContact O-CB 3.49Å; C99-A154 VanDerWaalsContact O-CB 3.28Å; C99-A154 WeakPolarHBondContact O-CB 3.28Å; S152-A154 PolarHBondContact O-N 3.28Å; A154-H158 WeakPolarHBondContact O-CB 3.37Å; A154-H158 PolarHBondContact O-N 3.4Å
155	H	95.3	Very high	95.3	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-64.9	-44.8	176.4	-72.4	-159	0	0	0	111	M79 D100 Y151 S152 H158 M159 Y249 Y252 F253	M79-H155 WeakPolarHBondContact CE-CE1 3.16Å; M79-H155 VanDerWaalsContact CE-NE2 3.33Å; M79-H155 WeakPolarHBondContact CE-NE2 3.27Å; D100-H155 IonicContact OD1-CD2 3.31Å; D100-H155 PolarHBondContact OD1-CD2 3.22Å; D100-H155 IonicContact OD1-NE2 3.58Å; Y151-H155 HydrophobicContact CE1-CB 4.03Å; S152-H155 PolarHBondContact O-N 3.14Å; H155-H158 PolarHBondContact O-N 2.98Å; H155-M159 WeakPolarHBondContact O-CG 3.43Å; H155-M159 PolarHBondContact O-N 2.87Å; H155-M159 VanDerWaalsContact O-N 3.09Å; H155-Y249 HydrophobicContact CB-CD1 4.08Å; H155-Y249 AromaticContact CD2-CD1 3.69Å; H155-Y249 AromaticContact CD2-CE1 3.61Å; H155-Y249 AromaticContact CE1-CD1 3.85Å; H155-Y249 AromaticContact CG-CD1 3.58Å; H155-Y249 AromaticContact ND1-CD1 3.7Å; H155-Y249 AromaticContact NE2-CD1 3.86Å; H155-Y249 AromaticContact NE2-CE1 3.67Å; H155-Y252 AromaticContact CE1-CD1 3.68Å; H155-F253 AromaticContact CE1-CE2 3.99Å; H155-F253 AromaticContact ND1-CE2 3.73Å
156	L	96.5	Very high	95.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-49.8	178	176.1	59.2	0	0	0	111	V108 V111 Y151 S152 P153 H158 M159 T160 I200 I273	V108-L156 HydrophobicContact CG1-CD2 4.25Å; V108-L156 HydrophobicContact CG2-CD2 4.42Å; V111-L156 HydrophobicContact CB-CD2 3.93Å; V111-L156 HydrophobicContact CB-CG 4.34Å; V111-L156 HydrophobicContact CG1-CB 4.04Å; V111-L156 HydrophobicContact CG1-CD2 3.85Å; V111-L156 HydrophobicContact CG1-CG 3.7Å; V111-L156 HydrophobicContact CG2-CD2 4.39Å; Y151-L156 HydrophobicContact CD1-CB 4.16Å; Y151-L156 HydrophobicContact CE1-CB 4.32Å; S152-L156 PolarHBondContact O-N 3.47Å; S152-L156 VanDerWaalsContact O-N 3.1Å; P153-L156 PolarHBondContact O-N 3.36Å; L156-H158 VanDerWaalsContact C-N 3.34Å; L156-H158 PolarHBondContact O-N 3.28Å; L156-M159 PolarHBondContact O-N 2.82Å; L156-T160 HydrophobicContact CD1-CG2 3.91Å; L156-T160 PolarHBondContact O-N 2.79Å; L156-T160 PolarHBondContact O-OG1 2.89Å; L156-I200 HydrophobicContact CD1-CD1 3.35Å; L156-I273 HydrophobicContact CD1-CD1 4.12Å
157	Y	96.5	Very high	95.5	Very high	34 Å²	34	18.2 Å²	18.2	13%	0.133	10%	0.097	C	C	.	.	H	α-helix	trans	-53.4	-50.4	175.6	178.6	-88.7	0	0	0	111	H97 E114 A115 A118 P153 M159 T160 F161	H97-Y157 HydrophobicContact CB-CD1 4.28Å; H97-Y157 HydrophobicContact CB-CD2 4.07Å; H97-Y157 HydrophobicContact CB-CG 3.79Å; H97-Y157 AromaticContact CD2-CE1 3.98Å; H97-Y157 AromaticContact CG-CD2 3.98Å; E114-Y157 HydrophobicContact CB-CE2 4.36Å; E114-Y157 HydrophobicContact CG-CD2 4.42Å; E114-Y157 HydrophobicContact CG-CE2 3.97Å; A115-Y157 VanDerWaalsContact CA-CE2 3.46Å; A115-Y157 HydrophobicContact CB-CD2 3.76Å; A115-Y157 HydrophobicContact CB-CE2 3.9Å; A115-Y157 HydrophobicContact CB-CG 4.42Å; A118-Y157 VanDerWaalsContact CB-OH 3.24Å; A118-Y157 WeakPolarHBondContact CB-OH 3.28Å; P153-Y157 WeakPolarHBondContact O-CB 3.35Å; P153-Y157 PolarHBondContact O-N 3.18Å; Y157-M159 VanDerWaalsContact C-N 3.35Å; Y157-M159 PolarHBondContact O-N 2.87Å; Y157-T160 PolarHBondContact O-N 2.92Å; Y157-T160 PolarHBondContact O-OG1 3.19Å; Y157-F161 HydrophobicContact CD1-CB 4.37Å; Y157-F161 HydrophobicContact CE1-CB 4.15Å; Y157-F161 HydrophobicContact CE1-CD2 4.34Å; Y157-F161 HydrophobicContact CE1-CG 4.19Å; Y157-F161 WeakPolarHBondContact O-CB 3.38Å; Y157-F161 PolarHBondContact O-N 3.45Å
158	H	94.5	Very high	95.5	Very high	47 Å²	47	18.2 Å²	18.2	22%	0.218	10%	0.097	C	C	.	.	H	α-helix	trans	-58.9	-46.3	-179.4	-173.8	80.5	0	0	0	111.9	A154 H155 L156 E162 Y249	A154-H158 WeakPolarHBondContact O-CB 3.37Å; A154-H158 PolarHBondContact O-N 3.4Å; H155-H158 PolarHBondContact O-N 2.98Å; L156-H158 VanDerWaalsContact C-N 3.34Å; L156-H158 PolarHBondContact O-N 3.28Å; H158-E162 WeakPolarHBondContact O-CB 3.46Å; H158-E162 WeakPolarHBondContact O-CG 3.44Å; H158-E162 PolarHBondContact O-N 3.31Å; H158-E162 VanDerWaalsContact O-N 3.12Å; H158-Y249 AromaticContact CD2-CD2 3.33Å; H158-Y249 WeakPolarHBondContact CD2-CD2 3.35Å; H158-Y249 AromaticContact CD2-CE2 3.22Å; H158-Y249 WeakPolarHBondContact CD2-CE2 3.48Å; H158-Y249 AromaticContact CG-CE2 3.89Å; H158-Y249 AromaticContact NE2-CD2 3.91Å; H158-Y249 AromaticContact NE2-CE2 3.5Å
159	M	97.3	Very high	95.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-49.3	179.3	-67.8	-173.4	-68.7	0	0	112	Y151 H155 L156 Y157 L163 S246 A250 I271 I273	Y151-M159 HydrophobicContact CE1-CE 4.22Å; H155-M159 WeakPolarHBondContact O-CG 3.43Å; H155-M159 PolarHBondContact O-N 2.87Å; H155-M159 VanDerWaalsContact O-N 3.09Å; L156-M159 PolarHBondContact O-N 2.82Å; Y157-M159 VanDerWaalsContact C-N 3.35Å; Y157-M159 PolarHBondContact O-N 2.87Å; M159-L163 VanDerWaalsContact O-CG 3.28Å; M159-L163 WeakPolarHBondContact O-CG 3.17Å; M159-L163 PolarHBondContact O-N 2.9Å; M159-S246 WeakPolarHBondContact CG-O 3.41Å; M159-S246 VanDerWaalsContact SD-O 3.39Å; M159-A250 HydrophobicContact SD-CB 3.69Å; M159-A250 PolarHBondContact SD-N 2.7Å; M159-A250 VanDerWaalsContact SD-N 3.38Å; M159-I271 HydrophobicContact CB-CD1 3.69Å; M159-I271 HydrophobicContact CE-CG2 3.91Å; M159-I271 HydrophobicContact SD-CG2 3.96Å; M159-I273 HydrophobicContact CE-CD1 4.15Å
160	T	97.7	Very high	95.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-70	-40.4	-177	53.3	0	0	0	0	111.6	I112 A115 L156 Y157 L163 F164 I271	I112-T160 HydrophobicContact CG1-CG2 4.15Å; A115-T160 WeakPolarHBondContact CB-OG1 3.34Å; L156-T160 HydrophobicContact CD1-CG2 3.91Å; L156-T160 PolarHBondContact O-N 2.79Å; L156-T160 PolarHBondContact O-OG1 2.89Å; Y157-T160 PolarHBondContact O-N 2.92Å; Y157-T160 PolarHBondContact O-OG1 3.19Å; T160-L163 PolarHBondContact O-N 3.1Å; T160-F164 WeakPolarHBondContact O-CB 3.36Å; T160-F164 WeakPolarHBondContact O-CD2 3.5Å; T160-F164 WeakPolarHBondContact O-CG 3.32Å; T160-F164 PolarHBondContact O-N 3.28Å; T160-I271 HydrophobicContact CG2-CD1 3.98Å
161	F	96.2	Very high	95.9	Very high	25 Å²	25	14 Å²	14	11%	0.11	7%	0.071	C	C	.	.	H	α-helix	trans	-58.3	-48.8	175.8	173.2	-103.8	0	0	0	112.5	A115 A118 A119 M122 Y157 L163 F164 K165	A115-F161 HydrophobicContact CB-CB 4.09Å; A118-F161 HydrophobicContact CB-CD2 4.09Å; A118-F161 HydrophobicContact CB-CE2 3.85Å; A119-F161 HydrophobicContact CB-CD2 4.24Å; M122-F161 HydrophobicContact CE-CD2 4.22Å; M122-F161 HydrophobicContact CE-CE1 4.22Å; M122-F161 HydrophobicContact CE-CE2 3.15Å; M122-F161 HydrophobicContact CE-CZ 3.17Å; M122-F161 HydrophobicContact SD-CE2 4.26Å; M122-F161 HydrophobicContact SD-CZ 3.86Å; Y157-F161 HydrophobicContact CD1-CB 4.37Å; Y157-F161 HydrophobicContact CE1-CB 4.15Å; Y157-F161 HydrophobicContact CE1-CD2 4.34Å; Y157-F161 HydrophobicContact CE1-CG 4.19Å; Y157-F161 WeakPolarHBondContact O-CB 3.38Å; Y157-F161 PolarHBondContact O-N 3.45Å; F161-L163 VanDerWaalsContact C-N 3.33Å; F161-L163 PolarHBondContact O-N 3.42Å; F161-F164 PolarHBondContact O-N 2.85Å; F161-K165 HydrophobicContact CE1-CD 4.08Å; F161-K165 VanDerWaalsContact CE1-CE 3.47Å; F161-K165 HydrophobicContact CZ-CD 4.19Å; F161-K165 PolarHBondContact O-N 3.13Å
162	E	95.6	Very high	96	Very high	28 Å²	28	13.5 Å²	13.5	13%	0.131	7%	0.069	C	C	.	.	H	α-helix	trans	-64.2	-38.6	177.8	-70.7	-59.4	138.3	0	0	111.8	H158 K165 N166 G242	H158-E162 WeakPolarHBondContact O-CB 3.46Å; H158-E162 WeakPolarHBondContact O-CG 3.44Å; H158-E162 PolarHBondContact O-N 3.31Å; H158-E162 VanDerWaalsContact O-N 3.12Å; E162-K165 VanDerWaalsContact CD-CE 3.41Å; E162-K165 VanDerWaalsContact OE1-CE 3.22Å; E162-K165 WeakPolarHBondContact OE1-CE 3.39Å; E162-K165 IonicContact OE1-NZ 3.81Å; E162-K165 PolarHBondContact OE1-NZ 3.08Å; E162-K165 VanDerWaalsContact OE2-CE 3.24Å; E162-K165 WeakPolarHBondContact OE2-CE 3.09Å; E162-K165 IonicContact OE2-NZ 3.62Å; E162-K165 PolarHBondContact OE2-NZ 3.34Å; E162-N166 VanDerWaalsContact O-CG 3.32Å; E162-N166 PolarHBondContact O-N 3.4Å; E162-N166 PolarHBondContact O-ND2 3Å; E162-G242 WeakPolarHBondContact OE2-CA 3.29Å
163	L	97.2	Very high	96	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.037	9%	0.091	C	C	.	.	H	α-helix	trans	-67.3	-42.1	175.2	-69.9	-179.1	0	0	0	112	M159 T160 F161 N166 A167 I202 L243 L257 A269 I271	M159-L163 VanDerWaalsContact O-CG 3.28Å; M159-L163 WeakPolarHBondContact O-CG 3.17Å; M159-L163 PolarHBondContact O-N 2.9Å; T160-L163 PolarHBondContact O-N 3.1Å; F161-L163 VanDerWaalsContact C-N 3.33Å; F161-L163 PolarHBondContact O-N 3.42Å; L163-N166 PolarHBondContact O-N 3.04Å; L163-A167 WeakPolarHBondContact O-CB 3.45Å; L163-A167 PolarHBondContact O-N 2.96Å; L163-I202 HydrophobicContact CB-CD1 3.67Å; L163-I202 HydrophobicContact CD1-CD1 3.98Å; L163-L243 HydrophobicContact CD2-CD2 3.59Å; L163-L257 HydrophobicContact CD1-CD1 4.08Å; L163-L257 HydrophobicContact CD2-CD1 4.29Å; L163-L257 HydrophobicContact CG-CD1 4.39Å; L163-A269 HydrophobicContact CD1-CB 3.87Å; L163-A269 HydrophobicContact CD2-CB 3.79Å; L163-A269 HydrophobicContact CG-CB 4.38Å; L163-I271 HydrophobicContact CD1-CD1 3.77Å; L163-I271 HydrophobicContact CD1-CG1 3.84Å
164	F	97.9	Very high	96.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.3	-44.4	176.8	-73.7	-49.3	0	0	0	112	I112 A115 F116 A119 M133 T160 F161 N166 A167 L168 V187 V189 I202	I112-F164 HydrophobicContact CG2-CE2 3.95Å; I112-F164 HydrophobicContact CG2-CZ 3.79Å; A115-F164 HydrophobicContact CB-CD2 4.22Å; A115-F164 HydrophobicContact CB-CE2 4.38Å; F116-F164 HydrophobicContact CB-CD2 3.99Å; F116-F164 HydrophobicContact CB-CE2 3.83Å; F116-F164 HydrophobicContact CB-CG 4.46Å; F116-F164 HydrophobicContact CB-CZ 4.17Å; F116-F164 AromaticContact CD2-CD1 3.69Å; F116-F164 HydrophobicContact CD2-CD1 3.69Å; F116-F164 HydrophobicContact CD2-CD2 4.34Å; F116-F164 AromaticContact CD2-CE1 3.8Å; F116-F164 HydrophobicContact CD2-CE1 3.8Å; F116-F164 HydrophobicContact CD2-CE2 4.43Å; F116-F164 AromaticContact CD2-CG 3.98Å; F116-F164 HydrophobicContact CD2-CG 3.98Å; F116-F164 HydrophobicContact CD2-CZ 4.17Å; F116-F164 HydrophobicContact CE2-CD1 4.39Å; A119-F164 HydrophobicContact CB-CB 3.61Å; M133-F164 HydrophobicContact SD-CZ 4.4Å; T160-F164 WeakPolarHBondContact O-CB 3.36Å; T160-F164 WeakPolarHBondContact O-CD2 3.5Å; T160-F164 WeakPolarHBondContact O-CG 3.32Å; T160-F164 PolarHBondContact O-N 3.28Å; F161-F164 PolarHBondContact O-N 2.85Å; F164-N166 VanDerWaalsContact C-N 3.27Å; F164-N166 PolarHBondContact O-N 3.15Å; F164-A167 PolarHBondContact O-N 3.3Å; F164-L168 VanDerWaalsContact O-CB 3.3Å; F164-L168 WeakPolarHBondContact O-CB 3.38Å; F164-L168 WeakPolarHBondContact O-CG 3.47Å; F164-L168 PolarHBondContact O-N 3.3Å; F164-V187 HydrophobicContact CD1-CG1 4.08Å; F164-V187 HydrophobicContact CE1-CG1 4.16Å; F164-V189 HydrophobicContact CE1-CB 4.32Å; F164-V189 HydrophobicContact CZ-CB 4.22Å; F164-V189 HydrophobicContact CZ-CG2 4.2Å; F164-I202 HydrophobicContact CD1-CD1 4Å; F164-I202 HydrophobicContact CD1-CG1 4.47Å; F164-I202 HydrophobicContact CD1-CG2 3.97Å; F164-I202 HydrophobicContact CD2-CD1 4.43Å; F164-I202 HydrophobicContact CE1-CD1 3.72Å; F164-I202 HydrophobicContact CE1-CG1 3.88Å; F164-I202 HydrophobicContact CE1-CG2 3.92Å; F164-I202 HydrophobicContact CE2-CD1 4.19Å; F164-I202 HydrophobicContact CG-CD1 4.35Å; F164-I202 HydrophobicContact CZ-CD1 3.83Å; F164-I202 HydrophobicContact CZ-CG1 4.16Å
165	K	95.7	Very high	96.3	Very high	15 Å²	15	29 Å²	29	7%	0.065	13%	0.131	C	C	.	.	H	α-helix	trans	-51.8	-48.4	172.7	-85.8	-166.3	-67.7	-176.8	0	112	A119 M122 F161 E162 R169 M236	A119-K165 HydrophobicContact CB-CG 4.23Å; M122-K165 HydrophobicContact CE-CD 3.51Å; M122-K165 HydrophobicContact CE-CG 3.47Å; M122-K165 VanDerWaalsContact CE-CG 3.47Å; M122-K165 HydrophobicContact SD-CD 4.31Å; F161-K165 HydrophobicContact CE1-CD 4.08Å; F161-K165 VanDerWaalsContact CE1-CE 3.47Å; F161-K165 HydrophobicContact CZ-CD 4.19Å; F161-K165 PolarHBondContact O-N 3.13Å; E162-K165 VanDerWaalsContact CD-CE 3.41Å; E162-K165 VanDerWaalsContact OE1-CE 3.22Å; E162-K165 WeakPolarHBondContact OE1-CE 3.39Å; E162-K165 IonicContact OE1-NZ 3.81Å; E162-K165 PolarHBondContact OE1-NZ 3.08Å; E162-K165 VanDerWaalsContact OE2-CE 3.24Å; E162-K165 WeakPolarHBondContact OE2-CE 3.09Å; E162-K165 IonicContact OE2-NZ 3.62Å; E162-K165 PolarHBondContact OE2-NZ 3.34Å; K165-R169 WeakPolarHBondContact O-CB 3.45Å; K165-R169 PolarHBondContact O-N 3.23Å; K165-M236 HydrophobicContact CB-CE 4.44Å; K165-M236 HydrophobicContact CG-CE 4.45Å; K165-M236 HydrophobicContact CG-SD 4.28Å; K165-M236 WeakPolarHBondContact O-CE 3.46Å
166	N	94.8	Very high	96.2	Very high	57 Å²	57	29.8 Å²	29.8	31%	0.305	14%	0.139	S	C	.	.	H	α-helix	trans	-65.1	-46.1	-179.6	-70.6	-35.6	0	0	0	111.8	E162 L163 F164 A170	E162-N166 VanDerWaalsContact O-CG 3.32Å; E162-N166 PolarHBondContact O-N 3.4Å; E162-N166 PolarHBondContact O-ND2 3Å; L163-N166 PolarHBondContact O-N 3.04Å; F164-N166 VanDerWaalsContact C-N 3.27Å; F164-N166 PolarHBondContact O-N 3.15Å; N166-A170 VanDerWaalsContact O-CB 3.27Å; N166-A170 WeakPolarHBondContact O-CB 3.44Å; N166-A170 PolarHBondContact O-N 2.8Å
167	A	97.2	Very high	96	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-46	178.9	0	0	0	0	0	112.6	L163 F164 T171 V187 I202 D204	L163-A167 WeakPolarHBondContact O-CB 3.45Å; L163-A167 PolarHBondContact O-N 2.96Å; F164-A167 PolarHBondContact O-N 3.3Å; A167-T171 WeakPolarHBondContact O-CB 3.32Å; A167-T171 PolarHBondContact O-N 3.46Å; A167-T171 PolarHBondContact O-OG1 3.14Å; A167-V187 HydrophobicContact CB-CG1 4.05Å; A167-V187 HydrophobicContact CB-CG2 4.1Å; A167-I202 HydrophobicContact CB-CG2 4.28Å; A167-D204 HydrophobicContact CB-CB 3.86Å
168	L	97.5	Very high	95.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-49.6	178.5	-68.2	170	0	0	0	110.5	F116 A119 Q120 C123 P131 F164 A170 T171 V172 V187 M236	F116-L168 HydrophobicContact CE2-CD2 3.98Å; F116-L168 HydrophobicContact CZ-CD2 4.2Å; A119-L168 VanDerWaalsContact C-CD1 3.46Å; A119-L168 HydrophobicContact CB-CD1 3.73Å; A119-L168 WeakPolarHBondContact O-CD1 3.24Å; Q120-L168 HydrophobicContact CB-CD1 4.45Å; C123-L168 HydrophobicContact CB-CB 4.14Å; C123-L168 HydrophobicContact CB-CD1 4.13Å; P131-L168 HydrophobicContact CB-CD2 3.88Å; P131-L168 HydrophobicContact CG-CD2 3.86Å; F164-L168 VanDerWaalsContact O-CB 3.3Å; F164-L168 WeakPolarHBondContact O-CB 3.38Å; F164-L168 WeakPolarHBondContact O-CG 3.47Å; F164-L168 PolarHBondContact O-N 3.3Å; L168-A170 PolarHBondContact O-N 2.91Å; L168-T171 PolarHBondContact O-N 3.27Å; L168-V172 WeakPolarHBondContact O-CG2 3.38Å; L168-V172 PolarHBondContact O-N 3.09Å; L168-V187 HydrophobicContact CD2-CG2 3.97Å; L168-M236 HydrophobicContact CB-CE 4.33Å
169	R	94.9	Very high	95.8	Very high	27 Å²	27	39.1 Å²	39.1	10%	0.102	19%	0.193	C	C	.	.	H	α-helix	trans	-56	-52.4	176	175.4	176.7	177.4	-143	-11.4	111.8	K165 T171 V172 E173 M236	K165-R169 WeakPolarHBondContact O-CB 3.45Å; K165-R169 PolarHBondContact O-N 3.23Å; R169-T171 VanDerWaalsContact C-N 3.27Å; R169-T171 PolarHBondContact O-N 2.92Å; R169-V172 PolarHBondContact O-N 3.32Å; R169-E173 HydrophobicContact CG-CG 4.28Å; R169-E173 WeakPolarHBondContact CG-OE1 3.07Å; R169-E173 IonicContact CZ-OE1 3.61Å; R169-E173 IonicContact CZ-OE2 2.8Å; R169-E173 IonicContact NE-OE1 3.6Å; R169-E173 PolarHBondContact NE-OE1 3.11Å; R169-E173 IonicContact NE-OE2 3.63Å; R169-E173 PolarHBondContact NE-OE2 3.48Å; R169-E173 IonicContact NH2-OE1 2.73Å; R169-E173 PolarHBondContact NH2-OE1 3.49Å; R169-E173 IonicContact NH2-OE2 2.75Å; R169-E173 PolarHBondContact NH2-OE2 3.09Å; R169-E173 WeakPolarHBondContact O-CB 3.36Å; R169-E173 WeakPolarHBondContact O-CG 3.21Å; R169-E173 PolarHBondContact O-N 3.45Å; R169-M236 HydrophobicContact CB-CE 4.15Å
170	A	95.4	Very high	95.6	Very high	30 Å²	30	41.2 Å²	41.2	25%	0.248	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-39.1	-178.4	0	0	0	0	0	111.5	N166 L168 Y174 G206	N166-A170 VanDerWaalsContact O-CB 3.27Å; N166-A170 WeakPolarHBondContact O-CB 3.44Å; N166-A170 PolarHBondContact O-N 2.8Å; L168-A170 PolarHBondContact O-N 2.91Å; A170-Y174 WeakPolarHBondContact O-CB 3.34Å; A170-Y174 PolarHBondContact O-N 3.29Å; A170-G206 VanDerWaalsContact C-CA 3.46Å; A170-G206 VanDerWaalsContact O-CA 3.3Å; A170-G206 WeakPolarHBondContact O-CA 3Å
171	T	97.6	Very high	95.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-47.7	178.3	-57.4	0	0	0	0	111.9	P131 A167 L168 R169 Y174 W175 P185	P131-T171 HydrophobicContact CB-CG2 4.32Å; P131-T171 HydrophobicContact CG-CG2 3.59Å; A167-T171 WeakPolarHBondContact O-CB 3.32Å; A167-T171 PolarHBondContact O-N 3.46Å; A167-T171 PolarHBondContact O-OG1 3.14Å; L168-T171 PolarHBondContact O-N 3.27Å; R169-T171 VanDerWaalsContact C-N 3.27Å; R169-T171 PolarHBondContact O-N 2.92Å; T171-Y174 PolarHBondContact O-N 3.45Å; T171-W175 VanDerWaalsContact O-CD1 3.3Å; T171-W175 PolarHBondContact O-N 2.88Å; T171-P185 HydrophobicContact CG2-CG 3.76Å
172	V	96.5	Very high	95.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-45.6	179.3	176.3	0	0	0	0	111.5	Y127 T129 P131 L168 R169 Y174 G176 V177 L184	Y127-V172 HydrophobicContact CD1-CG1 3.94Å; Y127-V172 HydrophobicContact CD2-CG1 4.22Å; Y127-V172 HydrophobicContact CG-CB 4.5Å; Y127-V172 HydrophobicContact CG-CG1 3.73Å; T129-V172 HydrophobicContact CG2-CG1 4.15Å; T129-V172 HydrophobicContact CG2-CG2 4.46Å; P131-V172 HydrophobicContact CG-CG2 4.21Å; L168-V172 WeakPolarHBondContact O-CG2 3.38Å; L168-V172 PolarHBondContact O-N 3.09Å; R169-V172 PolarHBondContact O-N 3.32Å; V172-Y174 VanDerWaalsContact C-N 3.28Å; V172-Y174 PolarHBondContact O-N 3.33Å; V172-G176 CarbonylContact O-C 3.4Å; V172-G176 PolarHBondContact O-N 3.33Å; V172-V177 HydrophobicContact CG1-CB 4.45Å; V172-V177 HydrophobicContact CG1-CG1 3.76Å; V172-L184 HydrophobicContact CG2-CD1 4Å
173	E	94.7	Very high	95.2	Very high	97 Å²	97	54.5 Å²	54.5	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-31	-179.7	-72.1	-179.7	-175.9	0	0	112.4	Y127 R169	Y127-E173 HydrophobicContact CE1-CG 4.27Å; Y127-E173 PolarHBondContact OH-OE1 3.13Å; R169-E173 HydrophobicContact CG-CG 4.28Å; R169-E173 WeakPolarHBondContact CG-OE1 3.07Å; R169-E173 IonicContact CZ-OE1 3.61Å; R169-E173 IonicContact CZ-OE2 2.8Å; R169-E173 IonicContact NE-OE1 3.6Å; R169-E173 PolarHBondContact NE-OE1 3.11Å; R169-E173 IonicContact NE-OE2 3.63Å; R169-E173 PolarHBondContact NE-OE2 3.48Å; R169-E173 IonicContact NH2-OE1 2.73Å; R169-E173 PolarHBondContact NH2-OE1 3.49Å; R169-E173 IonicContact NH2-OE2 2.75Å; R169-E173 PolarHBondContact NH2-OE2 3.09Å; R169-E173 WeakPolarHBondContact O-CB 3.36Å; R169-E173 WeakPolarHBondContact O-CG 3.21Å; R169-E173 PolarHBondContact O-N 3.45Å
174	Y	96.4	Very high	95.2	Very high	119 Å²	119	54.2 Å²	54.2	47%	0.467	27%	0.271	S	S	.	.	H	α-helix	trans	-81.7	-41.4	179.7	-175.3	-110.6	0	0	0	113.8	A170 T171 V172 G264	A170-Y174 WeakPolarHBondContact O-CB 3.34Å; A170-Y174 PolarHBondContact O-N 3.29Å; T171-Y174 PolarHBondContact O-N 3.45Å; V172-Y174 VanDerWaalsContact C-N 3.28Å; V172-Y174 PolarHBondContact O-N 3.33Å; Y174-G264 PolarHBondContact OH-O 3.34Å; Y174-G264 VanDerWaalsContact OH-O 3.07Å
175	W	96.8	Very high	95.1	Very high	118 Å²	118	54.7 Å²	54.7	45%	0.447	27%	0.274	S	S	.	.	H	α-helix	trans	-90	-22	-175.8	-73.6	87.4	0	0	0	114.4	T171 L184 P185 R205	T171-W175 VanDerWaalsContact O-CD1 3.3Å; T171-W175 PolarHBondContact O-N 2.88Å; W175-L184 HydrophobicContact CB-CD2 3.71Å; W175-P185 HydrophobicContact CD2-CG 4.19Å; W175-P185 HydrophobicContact CG-CG 4.24Å; W175-P185 HydrophobicContact CZ2-CG 4.11Å; W175-P185 VanDerWaalsContact NE1-CG 3.27Å; W175-R205 PolarHBondContact NE1-O 3.28Å
176	G	93.7	Very high	95.3	Very high	17 Å²	17	54.9 Å²	54.9	18%	0.175	28%	0.276	C	S	.	.			trans	114.9	139.7	-178.6	0	0	0	0	0	112.9	V172 D178 K179	V172-G176 CarbonylContact O-C 3.4Å; V172-G176 PolarHBondContact O-N 3.33Å; G176-D178 VanDerWaalsContact C-N 3.28Å; G176-D178 PolarHBondContact O-N 2.83Å; G176-K179 WeakPolarHBondContact O-CB 3.44Å; G176-K179 PolarHBondContact O-N 3.21Å
177	V	92.6	Very high	95.4	Very high	83 Å²	83	52.1 Å²	52.1	50%	0.503	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.9	178.6	-64.8	0	0	0	0	113.2	Y127 V172 K179	Y127-V177 HydrophobicContact CD1-CG1 3.77Å; V172-V177 HydrophobicContact CG1-CB 4.45Å; V172-V177 HydrophobicContact CG1-CG1 3.76Å; V177-K179 PolarHBondContact O-N 3.1Å
178	D	92.6	Very high	95.5	Very high	130 Å²	130	55.5 Å²	55.5	70%	0.695	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.5	177.7	59.7	-55.3	0	0	0	112.9	G176	G176-D178 VanDerWaalsContact C-N 3.28Å; G176-D178 PolarHBondContact O-N 2.83Å
179	K	93	Very high	95.5	Very high	65 Å²	65	55.5 Å²	55.5	28%	0.283	28%	0.276	S	S	.	.	S	Bend	trans	-77.7	133.9	-179.3	-65.1	-52.7	-165.8	-179.9	0	112.1	T129 G176 V177 E183 L184	T129-K179 WeakPolarHBondContact CB-O 3.23Å; T129-K179 PolarHBondContact OG1-O 3.06Å; G176-K179 WeakPolarHBondContact O-CB 3.44Å; G176-K179 PolarHBondContact O-N 3.21Å; V177-K179 PolarHBondContact O-N 3.1Å; K179-E183 HydrophobicContact CB-CB 4.13Å; K179-E183 HydrophobicContact CD-CB 4.07Å; K179-E183 WeakPolarHBondContact CD-OE1 3.3Å; K179-E183 IonicContact NZ-OE1 2.89Å; K179-E183 PolarHBondContact NZ-OE1 2.74Å; K179-L184 HydrophobicContact CB-CD2 3.72Å; K179-L184 HydrophobicContact CB-CG 3.86Å; K179-L184 HydrophobicContact CG-CD2 4.35Å
180	S	93.3	Very high	95.7	Very high	44 Å²	44	55.5 Å²	55.5	31%	0.308	28%	0.28	S	S	.	.			trans	-66.3	157.6	170.6	64.9	0	0	0	0	111.3	F182 E183 L184	S180-F182 PolarHBondContact O-N 2.79Å; S180-E183 WeakPolarHBondContact CB-OE2 3.37Å; S180-E183 PolarHBondContact N-OE2 2.83Å; S180-E183 PolarHBondContact O-N 2.82Å; S180-E183 WeakPolarHBondContact OG-CG 3.29Å; S180-E183 PolarHBondContact OG-OE2 3.27Å; S180-L184 PolarHBondContact O-N 2.84Å; S180-L184 VanDerWaalsContact O-N 3.13Å
181	P	91.8	Very high	95.7	Very high	56 Å²	56	54.2 Å²	54.2	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-24.5	176.2	-31	37.5	0	0	0	115.1	A130	A130-P181 WeakPolarHBondContact O-CB 3.32Å
182	F	93.2	Very high	95.7	Very high	177 Å²	177	57.7 Å²	57.7	78%	0.776	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-22.5	178.2	-63.9	-76.5	0	0	0	113.7	S180	S180-F182 PolarHBondContact O-N 2.79Å
183	E	95.5	Very high	95.8	Very high	99 Å²	99	58.1 Å²	58.1	46%	0.463	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-28.9	173.6	-71.8	171.5	94.9	0	0	112.2	K179 S180	K179-E183 HydrophobicContact CB-CB 4.13Å; K179-E183 HydrophobicContact CD-CB 4.07Å; K179-E183 WeakPolarHBondContact CD-OE1 3.3Å; K179-E183 IonicContact NZ-OE1 2.89Å; K179-E183 PolarHBondContact NZ-OE1 2.74Å; S180-E183 WeakPolarHBondContact CB-OE2 3.37Å; S180-E183 PolarHBondContact N-OE2 2.83Å; S180-E183 PolarHBondContact O-N 2.82Å; S180-E183 WeakPolarHBondContact OG-CG 3.29Å; S180-E183 PolarHBondContact OG-OE2 3.27Å
184	L	97.2	Very high	95.7	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.276	C	S	.	.	S	Bend	trans	-68.8	134.6	174.2	-68	172.9	0	0	0	110.3	T129 P131 V172 W175 K179 S180	T129-L184 HydrophobicContact CG2-CD1 4.01Å; P131-L184 HydrophobicContact CB-CB 4.44Å; P131-L184 HydrophobicContact CG-CB 4.32Å; P131-L184 HydrophobicContact CG-CD1 4.16Å; V172-L184 HydrophobicContact CG2-CD1 4Å; W175-L184 HydrophobicContact CB-CD2 3.71Å; K179-L184 HydrophobicContact CB-CD2 3.72Å; K179-L184 HydrophobicContact CB-CG 3.86Å; K179-L184 HydrophobicContact CG-CD2 4.35Å; S180-L184 PolarHBondContact O-N 2.84Å; S180-L184 VanDerWaalsContact O-N 3.13Å
185	P	97.8	Very high	95.6	Very high	10 Å²	10	54.3 Å²	54.3	7%	0.065	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-64.8	138.8	175	26.3	-32.4	0	0	0	110.2	T171 W175 R205	T171-P185 HydrophobicContact CG2-CG 3.76Å; W175-P185 HydrophobicContact CD2-CG 4.19Å; W175-P185 HydrophobicContact CG-CG 4.24Å; W175-P185 HydrophobicContact CZ2-CG 4.11Å; W175-P185 VanDerWaalsContact NE1-CG 3.27Å; P185-R205 HydrophobicContact CB-CB 3.99Å; P185-R205 HydrophobicContact CB-CG 4.37Å; P185-R205 HydrophobicContact CG-CB 3.7Å
186	P	98	Very high	95.3	Very high	18 Å²	18	51.9 Å²	51.9	12%	0.117	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-67.7	145.8	-178.2	27.6	-34.3	0	0	0	111.5	R132 E134 K188	R132-P186 HydrophobicContact CG-CB 3.78Å; R132-P186 CarbonylContact O-C 3.6Å; R132-P186 WeakPolarHBondContact O-CA 3.34Å; R132-P186 WeakPolarHBondContact O-CB 3.44Å; E134-P186 HydrophobicContact CB-CB 4.29Å; E134-P186 HydrophobicContact CG-CB 3.74Å; E134-P186 HydrophobicContact CG-CG 3.86Å; E134-P186 WeakPolarHBondContact OE1-CG 3.2Å; P186-K188 PolarHBondContact O-N 2.88Å
187	V	98.4	Very high	95.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	120.5	165.4	176.5	0	0	0	0	107.5	F116 P131 R132 M133 E134 F164 A167 L168 I202 R203	F116-V187 HydrophobicContact CE2-CB 4.41Å; P131-V187 HydrophobicContact CB-CG2 4.16Å; R132-V187 PolarHBondContact O-N 2.69Å; M133-V187 WeakPolarHBondContact CA-O 3.27Å; E134-V187 PolarHBondContact N-O 3.4Å; F164-V187 HydrophobicContact CD1-CG1 4.08Å; F164-V187 HydrophobicContact CE1-CG1 4.16Å; A167-V187 HydrophobicContact CB-CG1 4.05Å; A167-V187 HydrophobicContact CB-CG2 4.1Å; L168-V187 HydrophobicContact CD2-CG2 3.97Å; V187-I202 HydrophobicContact CG1-CG2 3.79Å; V187-R203 WeakPolarHBondContact CA-O 3.3Å
188	K	98.5	Very high	95.6	Very high	74 Å²	74	50.7 Å²	50.7	32%	0.322	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.8	-177.4	-59.8	-169.4	177.8	-140.8	0	109.5	E134 P186 I202 R203	E134-K188 HydrophobicContact CB-CG 4.19Å; E134-K188 CarbonylContact O-C 3.54Å; E134-K188 VanDerWaalsContact O-CA 3.3Å; E134-K188 WeakPolarHBondContact O-CA 3.36Å; E134-K188 WeakPolarHBondContact OE2-CE 3.47Å; E134-K188 IonicContact OE2-NZ 3.52Å; E134-K188 PolarHBondContact OE2-NZ 2.86Å; P186-K188 PolarHBondContact O-N 2.88Å; K188-I202 CarbonylContact O-C 3.58Å; K188-I202 WeakPolarHBondContact O-CA 3.49Å; K188-R203 HydrophobicContact CB-CB 4.26Å; K188-R203 PolarHBondContact N-O 3.27Å; K188-R203 PolarHBondContact O-N 3.47Å
189	V	98.5	Very high	95.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.3	170.9	64.6	0	0	0	0	109.6	I112 M133 E134 K135 F136 F164 F191 I200 K201 I202	I112-V189 HydrophobicContact CD1-CG2 4.4Å; I112-V189 HydrophobicContact CG2-CG1 4.21Å; I112-V189 HydrophobicContact CG2-CG2 3.92Å; M133-V189 HydrophobicContact CG-CG1 3.79Å; M133-V189 HydrophobicContact SD-CG1 3.5Å; M133-V189 VanDerWaalsContact SD-CG1 3.5Å; E134-V189 PolarHBondContact O-N 2.91Å; K135-V189 CarbonylContact C-O 3.51Å; K135-V189 WeakPolarHBondContact CA-O 3.5Å; K135-V189 HydrophobicContact CB-CG1 3.78Å; F136-V189 PolarHBondContact N-O 2.95Å; F164-V189 HydrophobicContact CE1-CB 4.32Å; F164-V189 HydrophobicContact CZ-CB 4.22Å; F164-V189 HydrophobicContact CZ-CG2 4.2Å; V189-F191 HydrophobicContact CG2-CD1 4.36Å; V189-I200 HydrophobicContact CG2-CG2 4.23Å; V189-K201 CarbonylContact C-O 3.19Å; V189-K201 WeakPolarHBondContact CA-O 3.2Å; V189-I202 HydrophobicContact CG2-CG1 4.08Å
190	S	97.9	Very high	96.1	Very high	27 Å²	27	42.8 Å²	42.8	19%	0.189	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.6	176.3	-56.9	0	0	0	0	109.8	F136 K201	F136-S190 WeakPolarHBondContact O-CA 3.3Å; S190-K201 PolarHBondContact N-O 3.36Å; S190-K201 PolarHBondContact O-N 3.32Å
191	F	96.7	Very high	96.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.1	178.4	51.5	-81.6	0	0	0	112.1	V108 E109 I112 F136 F137 H138 I147 V189 T199 I200	V108-F191 HydrophobicContact CG1-CD2 4.13Å; E109-F191 HydrophobicContact CB-CE2 4.14Å; E109-F191 HydrophobicContact CB-CZ 3.81Å; E109-F191 HydrophobicContact CG-CZ 3.93Å; I112-F191 HydrophobicContact CD1-CB 4.33Å; I112-F191 HydrophobicContact CD1-CD1 3.71Å; I112-F191 HydrophobicContact CD1-CE1 4.13Å; I112-F191 HydrophobicContact CD1-CG 3.99Å; F136-F191 PolarHBondContact O-N 3.04Å; F136-F191 VanDerWaalsContact O-N 3.08Å; F137-F191 VanDerWaalsContact CA-O 3.24Å; F137-F191 WeakPolarHBondContact CA-O 3.47Å; F137-F191 HydrophobicContact CB-CD1 4.21Å; F137-F191 HydrophobicContact CB-CD2 3.61Å; F137-F191 HydrophobicContact CB-CE1 3.92Å; F137-F191 HydrophobicContact CB-CE2 3.26Å; F137-F191 HydrophobicContact CB-CG 4.06Å; F137-F191 HydrophobicContact CB-CZ 3.43Å; F137-F191 VanDerWaalsContact CB-CZ 3.43Å; F137-F191 HydrophobicContact CD1-CE2 4.37Å; F137-F191 HydrophobicContact CD1-CZ 4.02Å; F137-F191 AromaticContact CG-CE2 3.87Å; F137-F191 HydrophobicContact CG-CE2 3.87Å; F137-F191 AromaticContact CG-CZ 3.96Å; F137-F191 HydrophobicContact CG-CZ 3.96Å; H138-F191 PolarHBondContact N-O 3.06Å; I147-F191 HydrophobicContact CB-CD2 4.45Å; I147-F191 HydrophobicContact CD1-CD2 3.6Å; I147-F191 HydrophobicContact CD1-CE2 4.06Å; V189-F191 HydrophobicContact CG2-CD1 4.36Å; F191-T199 CarbonylContact C-O 3.58Å; F191-T199 WeakPolarHBondContact CA-O 3.19Å; F191-I200 HydrophobicContact CB-CB 4.45Å; F191-I200 HydrophobicContact CB-CG1 3.95Å; F191-I200 HydrophobicContact CB-CG2 4.49Å
192	F	97.1	Very high	96.7	Very high	74 Å²	74	40.7 Å²	40.7	33%	0.325	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.3	-168.2	-51.5	-92	0	0	0	108.7	F136 H138 L198 T199	F136-F192 HydrophobicContact CD1-CE1 4.16Å; F136-F192 HydrophobicContact CD1-CZ 4.33Å; F136-F192 AromaticContact CE1-CE1 3.82Å; F136-F192 HydrophobicContact CE1-CE1 3.82Å; F136-F192 HydrophobicContact CE1-CZ 4.4Å; H138-F192 HydrophobicContact CB-CD1 3.97Å; H138-F192 WeakPolarHBondContact O-CA 3.45Å; F192-L198 WeakPolarHBondContact O-CA 3.45Å; F192-T199 PolarHBondContact N-O 3.03Å; F192-T199 PolarHBondContact O-N 3.11Å
193	L	97.2	Very high	96.9	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.3	171.6	-179.2	63.5	0	0	0	108.9	H138 A140 L141 I147 V149 L198 V275	H138-L193 PolarHBondContact O-N 2.76Å; A140-L193 WeakPolarHBondContact CB-O 3.38Å; A140-L193 PolarHBondContact N-O 3.13Å; L141-L193 HydrophobicContact CD1-CD2 3.99Å; L141-L193 HydrophobicContact CD1-CG 4.17Å; L141-L193 HydrophobicContact CG-CD2 4.44Å; L141-L193 HydrophobicContact CG-CG 4.44Å; I147-L193 HydrophobicContact CD1-CB 3.8Å; I147-L193 HydrophobicContact CG1-CB 3.83Å; I147-L193 HydrophobicContact CG1-CD2 4.38Å; I147-L193 HydrophobicContact CG2-CB 4Å; I147-L193 HydrophobicContact CG2-CD2 4.14Å; I147-L193 HydrophobicContact CG2-CG 4.47Å; V149-L193 HydrophobicContact CG1-CD1 3.95Å; L193-L198 HydrophobicContact CD1-CB 4.35Å; L193-V275 HydrophobicContact CD1-CB 4.48Å; L193-V275 HydrophobicContact CD1-CG1 4.2Å; L193-V275 HydrophobicContact CD1-CG2 3.41Å; L193-V275 VanDerWaalsContact CD1-CG2 3.41Å
194	G	94.5	Very high	97.1	Very high	24 Å²	24	32.8 Å²	32.8	25%	0.247	17%	0.174	C	C	.	.			trans	-101.4	-170.4	170.6	0	0	0	0	0	112.5	S196 D197	G194-S196 VanDerWaalsContact C-N 3.34Å; G194-D197 PolarHBondContact N-O 3.5Å
195	N	92.6	Very high	97.1	Very high	112 Å²	112	38 Å²	38	60%	0.599	19%	0.194	S	C	*	.	S	Bend	trans	-67.6	-33.9	177	-69.5	-19.7	0	0	0	113.2	L141 W276	L141-N195 WeakPolarHBondContact CD2-OD1 3.01Å; N195-W276 PolarHBondContact O-NE1 3.13Å
196	S	92.2	Very high	97.1	Very high	68 Å²	68	38 Å²	38	48%	0.476	20%	0.196	S	C	.	.	S	Bend	trans	-112.1	-37.3	-173.9	-53.5	0	0	0	0	112.7	G194 V275	G194-S196 VanDerWaalsContact C-N 3.34Å; S196-V275 WeakPolarHBondContact O-CG2 3.39Å; S196-V275 PolarHBondContact O-N 2.93Å
197	D	94.3	Very high	97	Very high	74 Å²	74	37.5 Å²	37.5	40%	0.396	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.2	-169.2	-55.3	-53.7	0	0	0	112.3	G194 I273 V275	G194-D197 PolarHBondContact N-O 3.5Å; D197-I273 CarbonylContact C-O 3.55Å; D197-I273 WeakPolarHBondContact CA-O 3.49Å; D197-V275 VanDerWaalsContact C-CG2 3.48Å
198	L	97	Very high	96.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.8	156.6	171	65	0	0	0	107.6	V108 I147 V149 F192 L193 I200 I273 V275	V108-L198 HydrophobicContact CG1-CD1 4.49Å; V108-L198 HydrophobicContact CG1-CD2 4.21Å; V108-L198 HydrophobicContact CG2-CD2 3.66Å; I147-L198 HydrophobicContact CG2-CD1 3.79Å; V149-L198 HydrophobicContact CG1-CB 4.5Å; V149-L198 HydrophobicContact CG1-CD2 4.14Å; V149-L198 HydrophobicContact CG2-CD2 3.87Å; F192-L198 WeakPolarHBondContact O-CA 3.45Å; L193-L198 HydrophobicContact CD1-CB 4.35Å; L198-I200 HydrophobicContact CD2-CD1 4.41Å; L198-I200 HydrophobicContact CG-CG1 4.34Å; L198-I273 HydrophobicContact CB-CB 4.25Å; L198-I273 HydrophobicContact CD2-CD1 4.31Å; L198-I273 PolarHBondContact N-O 2.82Å; L198-I273 PolarHBondContact O-N 2.96Å; L198-V275 HydrophobicContact CB-CG2 4.49Å
199	T	98	Very high	96.7	Very high	29 Å²	29	36.5 Å²	36.5	18%	0.178	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128	175.8	-57.9	0	0	0	0	109.8	F191 F192 I271 Y272	F191-T199 CarbonylContact C-O 3.58Å; F191-T199 WeakPolarHBondContact CA-O 3.19Å; F192-T199 PolarHBondContact N-O 3.03Å; F192-T199 PolarHBondContact O-N 3.11Å; T199-I271 CarbonylContact C-O 3.55Å; T199-I271 WeakPolarHBondContact CA-O 3.42Å; T199-Y272 HydrophobicContact CG2-CD1 4.06Å; T199-Y272 HydrophobicContact CG2-CE1 3.74Å
200	I	98.6	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.6	174.3	-56.2	167.7	0	0	0	108	V108 I112 L156 V189 F191 L198 C270 I271	V108-I200 HydrophobicContact CG1-CD1 4.13Å; I112-I200 HydrophobicContact CD1-CD1 4.15Å; I112-I200 HydrophobicContact CD1-CG1 4.37Å; I112-I200 HydrophobicContact CD1-CG2 3.96Å; L156-I200 HydrophobicContact CD1-CD1 3.35Å; V189-I200 HydrophobicContact CG2-CG2 4.23Å; F191-I200 HydrophobicContact CB-CB 4.45Å; F191-I200 HydrophobicContact CB-CG1 3.95Å; F191-I200 HydrophobicContact CB-CG2 4.49Å; L198-I200 HydrophobicContact CD2-CD1 4.41Å; L198-I200 HydrophobicContact CG-CG1 4.34Å; I200-C270 CarbonylContact O-C 3.38Å; I200-C270 VanDerWaalsContact O-CA 3.32Å; I200-C270 WeakPolarHBondContact O-CA 3.4Å; I200-I271 HydrophobicContact CB-CB 4.3Å; I200-I271 PolarHBondContact N-O 2.94Å; I200-I271 PolarHBondContact O-N 2.76Å
201	K	98.6	Very high	96.2	Very high	52 Å²	52	47.6 Å²	47.6	23%	0.226	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.2	-177.4	-179.3	170.9	-177	162.3	0	109.9	V189 S190 R203 D268 A269	V189-K201 CarbonylContact C-O 3.19Å; V189-K201 WeakPolarHBondContact CA-O 3.2Å; S190-K201 PolarHBondContact N-O 3.36Å; S190-K201 PolarHBondContact O-N 3.32Å; K201-R203 VanDerWaalsContact NZ-NH2 3.16Å; K201-D268 WeakPolarHBondContact CE-OD2 3.47Å; K201-D268 IonicContact NZ-OD2 3.49Å; K201-D268 PolarHBondContact NZ-OD2 3.49Å; K201-A269 CarbonylContact C-O 3.59Å; K201-A269 WeakPolarHBondContact CA-O 3.49Å
202	I	98.6	Very high	96	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124	174	-62.6	170.9	0	0	0	107.8	L163 F164 A167 V187 K188 V189 A269	L163-I202 HydrophobicContact CB-CD1 3.67Å; L163-I202 HydrophobicContact CD1-CD1 3.98Å; F164-I202 HydrophobicContact CD1-CD1 4Å; F164-I202 HydrophobicContact CD1-CG1 4.47Å; F164-I202 HydrophobicContact CD1-CG2 3.97Å; F164-I202 HydrophobicContact CD2-CD1 4.43Å; F164-I202 HydrophobicContact CE1-CD1 3.72Å; F164-I202 HydrophobicContact CE1-CG1 3.88Å; F164-I202 HydrophobicContact CE1-CG2 3.92Å; F164-I202 HydrophobicContact CE2-CD1 4.19Å; F164-I202 HydrophobicContact CG-CD1 4.35Å; F164-I202 HydrophobicContact CZ-CD1 3.83Å; F164-I202 HydrophobicContact CZ-CG1 4.16Å; A167-I202 HydrophobicContact CB-CG2 4.28Å; V187-I202 HydrophobicContact CG1-CG2 3.79Å; K188-I202 CarbonylContact O-C 3.58Å; K188-I202 WeakPolarHBondContact O-CA 3.49Å; V189-I202 HydrophobicContact CG2-CG1 4.08Å; I202-A269 PolarHBondContact N-O 2.77Å; I202-A269 PolarHBondContact O-N 3.36Å
203	R	98.6	Very high	95.8	Very high	96 Å²	96	50.8 Å²	50.8	36%	0.362	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.9	-178.9	168.5	-178.8	-66.3	167.1	-4.7	110.4	V187 K188 K201 S267 D268	V187-R203 WeakPolarHBondContact CA-O 3.3Å; K188-R203 HydrophobicContact CB-CB 4.26Å; K188-R203 PolarHBondContact N-O 3.27Å; K188-R203 PolarHBondContact O-N 3.47Å; K201-R203 VanDerWaalsContact NZ-NH2 3.16Å; R203-S267 WeakPolarHBondContact CA-O 3.37Å; R203-D268 WeakPolarHBondContact CB-OD1 3.37Å; R203-D268 WeakPolarHBondContact CG-OD1 3.43Å; R203-D268 IonicContact CZ-OD1 2.63Å; R203-D268 IonicContact CZ-OD2 2.94Å; R203-D268 IonicContact NE-OD1 2.83Å; R203-D268 PolarHBondContact NE-OD1 3.5Å; R203-D268 IonicContact NE-OD2 2.69Å; R203-D268 PolarHBondContact NE-OD2 2.92Å; R203-D268 IonicContact NH2-OD1 2.7Å; R203-D268 IonicContact NH2-OD2 2.74Å; R203-D268 PolarHBondContact NH2-OD2 2.98Å
204	D	98.3	Very high	95.5	Very high	14 Å²	14	51.9 Å²	51.9	8%	0.075	28%	0.281	C	S	.	.			trans	-111.8	173.8	171.3	68.8	65.6	0	0	0	112.1	A167 G206 G266 S267	A167-D204 HydrophobicContact CB-CB 3.86Å; D204-G206 PolarHBondContact OD1-N 3.31Å; D204-G266 WeakPolarHBondContact OD1-CA 3.42Å; D204-S267 PolarHBondContact N-O 2.9Å; D204-S267 PolarHBondContact OD1-N 3.4Å; D204-S267 WeakPolarHBondContact OD2-CB 3.29Å
205	R	98.3	Very high	95.2	Very high	112 Å²	112	58.9 Å²	58.9	42%	0.423	31%	0.307	S	S	.	.			trans	-123.8	43.3	165.7	-72.4	-176	169.9	175.2	-2.6	110.3	W175 P185 G207 H265	W175-R205 PolarHBondContact NE1-O 3.28Å; P185-R205 HydrophobicContact CB-CB 3.99Å; P185-R205 HydrophobicContact CB-CG 4.37Å; P185-R205 HydrophobicContact CG-CB 3.7Å; R205-G207 VanDerWaalsContact C-N 3.28Å; R205-G207 PolarHBondContact O-N 3.45Å; R205-H265 CarbonylContact C-O 3.54Å; R205-H265 WeakPolarHBondContact CA-O 3.27Å
206	G	97.2	Very high	95.1	Very high	11 Å²	11	58.6 Å²	58.6	11%	0.113	30%	0.3	C	S	.	.	S	Bend	trans	-89.7	34	-174.9	0	0	0	0	0	114.5	A170 D204 G208	A170-G206 VanDerWaalsContact C-CA 3.46Å; A170-G206 VanDerWaalsContact O-CA 3.3Å; A170-G206 WeakPolarHBondContact O-CA 3Å; D204-G206 PolarHBondContact OD1-N 3.31Å; G206-G208 PolarHBondContact O-N 2.71Å
207	G	96.4	Very high	95.1	Very high	6 Å²	6	56.6 Å²	56.6	6%	0.062	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	76.7	-20.9	177.2	0	0	0	0	0	115.4	R205 E263 G264 H265	R205-G207 VanDerWaalsContact C-N 3.28Å; R205-G207 PolarHBondContact O-N 3.45Å; G207-E263 CarbonylContact O-C 3.56Å; G207-G264 CarbonylContact O-C 3.56Å; G207-G264 WeakPolarHBondContact O-CA 3.3Å; G207-G264 PolarHBondContact O-N 3.01Å; G207-H265 PolarHBondContact N-O 2.8Å; G207-H265 PolarHBondContact O-N 3.26Å
208	G	96	Very high	95	Very high	22 Å²	22	53.9 Å²	53.9	23%	0.227	27%	0.269	C	S	.	.			trans	69.1	-179.1	176.8	0	0	0	0	0	114	G206 S261	G206-G208 PolarHBondContact O-N 2.71Å; G208-S261 WeakPolarHBondContact CA-OG 3.49Å
209	V	94.5	Very high	94.6	Very high	32 Å²	32	54.1 Å²	54.1	19%	0.194	27%	0.271	C	S	.	.			trans	-125.3	139.5	-175	-179.3	0	0	0	0	110	Q213 L217 S261	V209-Q213 HydrophobicContact CG1-CB 3.74Å; V209-L217 HydrophobicContact CB-CD1 4.33Å; V209-L217 HydrophobicContact CG1-CD1 4.13Å; V209-L217 HydrophobicContact CG2-CD1 4.11Å; V209-S261 PolarHBondContact N-OG 2.95Å; V209-S261 PolarHBondContact O-OG 2.9Å
210	P	94.7	Very high	94	Very high	37 Å²	37	52.8 Å²	52.8	24%	0.24	26%	0.262	C	S	.	.			trans	-55.8	139.5	173.9	-22.2	29.6	0	0	0	112.1	G212 Q213 E263	P210-G212 PolarHBondContact O-N 2.74Å; P210-G212 VanDerWaalsContact O-N 3.1Å; P210-Q213 HydrophobicContact CB-CG 4.36Å; P210-Q213 PolarHBondContact O-N 3.12Å; P210-E263 WeakPolarHBondContact CA-OE2 3.16Å; P210-E263 WeakPolarHBondContact CB-OE2 3.42Å; P210-E263 HydrophobicContact CG-CG 4.36Å
211	R	92.1	Very high	93.1	Very high	223 Å²	223	55.8 Å²	55.8	84%	0.842	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-53.1	-39	-175.6	-175.5	175.3	177.7	166.4	0.2	113.6	Q213 I214	R211-Q213 PolarHBondContact O-N 3.38Å; R211-I214 HydrophobicContact CG-CD1 4.46Å; R211-I214 PolarHBondContact O-N 2.9Å
212	G	92.4	Very high	92	Very high	69 Å²	69	56.4 Å²	56.4	71%	0.711	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-69.8	-7.3	178.9	0	0	0	0	0	115.2	P210	P210-G212 PolarHBondContact O-N 2.74Å; P210-G212 VanDerWaalsContact O-N 3.1Å
213	Q	91.3	Very high	90.7	Very high	74 Å²	74	59.2 Å²	59.2	35%	0.346	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-106.4	-9.3	177.8	-59.9	-173.7	14.5	0	0	113.2	V209 P210 R211 E215 K216 L217 Y222	V209-Q213 HydrophobicContact CG1-CB 3.74Å; P210-Q213 HydrophobicContact CB-CG 4.36Å; P210-Q213 PolarHBondContact O-N 3.12Å; R211-Q213 PolarHBondContact O-N 3.38Å; Q213-E215 VanDerWaalsContact C-N 3.32Å; Q213-E215 PolarHBondContact O-N 2.86Å; Q213-K216 WeakPolarHBondContact O-CA 3.41Å; Q213-K216 WeakPolarHBondContact O-CB 3.42Å; Q213-K216 PolarHBondContact O-N 3.12Å; Q213-L217 PolarHBondContact O-N 3.48Å; Q213-Y222 PolarHBondContact OE1-OH 2.74Å
214	I	91.2	Very high	89	Confident	30 Å²	30	59.3 Å²	59.3	15%	0.154	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-58.1	-43.9	-175.9	-65.3	176.6	0	0	0	111.3	R211 K216 L217	R211-I214 HydrophobicContact CG-CD1 4.46Å; R211-I214 PolarHBondContact O-N 2.9Å; I214-K216 PolarHBondContact O-N 3.02Å; I214-L217 WeakPolarHBondContact O-CB 3.48Å; I214-L217 PolarHBondContact O-N 2.98Å; I214-L217 VanDerWaalsContact O-N 3.14Å
215	E	89.4	Confident	87.5	Confident	172 Å²	172	59.2 Å²	59.2	80%	0.804	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-62.7	-31.7	178.1	-66.6	-172.5	171.5	0	0	112.6	Q213 L217 F218	Q213-E215 VanDerWaalsContact C-N 3.32Å; Q213-E215 PolarHBondContact O-N 2.86Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 PolarHBondContact O-N 2.83Å; E215-F218 PolarHBondContact O-N 3.23Å
216	K	89.8	Confident	85.8	Confident	106 Å²	106	58.9 Å²	58.9	46%	0.461	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-68.1	-28.2	178.6	-58.8	-178	-179.8	178.4	0	111.9	Q213 I214 F218 A219 Y222	Q213-K216 WeakPolarHBondContact O-CA 3.41Å; Q213-K216 WeakPolarHBondContact O-CB 3.42Å; Q213-K216 PolarHBondContact O-N 3.12Å; I214-K216 PolarHBondContact O-N 3.02Å; K216-F218 PolarHBondContact O-N 2.91Å; K216-A219 VanDerWaalsContact O-CB 3.27Å; K216-A219 WeakPolarHBondContact O-CB 3.46Å; K216-A219 PolarHBondContact O-N 2.92Å; K216-Y222 HydrophobicContact CB-CD1 3.98Å; K216-Y222 HydrophobicContact CB-CD2 4.1Å; K216-Y222 HydrophobicContact CB-CE1 4.03Å; K216-Y222 HydrophobicContact CB-CE2 4.15Å; K216-Y222 HydrophobicContact CB-CG 4.01Å; K216-Y222 HydrophobicContact CD-CE2 4.21Å; K216-Y222 VanDerWaalsContact O-CB 3.27Å; K216-Y222 WeakPolarHBondContact O-CB 3.33Å; K216-Y222 WeakPolarHBondContact O-CD1 3.32Å
217	L	91.5	Very high	84.3	Confident	25 Å²	25	65.2 Å²	65.2	13%	0.131	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-62.3	-22.5	177.3	-61.6	172.8	0	0	0	113.1	V209 Q213 I214 E215 Y222 L243 L259	V209-L217 HydrophobicContact CB-CD1 4.33Å; V209-L217 HydrophobicContact CG1-CD1 4.13Å; V209-L217 HydrophobicContact CG2-CD1 4.11Å; Q213-L217 PolarHBondContact O-N 3.48Å; I214-L217 WeakPolarHBondContact O-CB 3.48Å; I214-L217 PolarHBondContact O-N 2.98Å; I214-L217 VanDerWaalsContact O-N 3.14Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 PolarHBondContact O-N 2.83Å; L217-Y222 HydrophobicContact CD2-CD1 4.48Å; L217-Y222 HydrophobicContact CD2-CE1 3.96Å; L217-L243 HydrophobicContact CB-CD1 3.86Å; L217-L259 HydrophobicContact CD1-CD2 3.47Å; L217-L259 VanDerWaalsContact CD1-CD2 3.47Å
218	F	91.9	Very high	82.7	Confident	18 Å²	18	66.9 Å²	66.9	8%	0.079	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-94	5.2	175.3	-68.6	-81.2	0	0	0	113.4	Q64 E215 K216 L243 P244 R247 L257 L259	Q64-F218 PolarHBondContact NE2-O 2.92Å; E215-F218 PolarHBondContact O-N 3.23Å; K216-F218 PolarHBondContact O-N 2.91Å; F218-L243 HydrophobicContact CD1-CB 4.33Å; F218-L243 HydrophobicContact CE1-CB 4.3Å; F218-P244 WeakPolarHBondContact O-CB 3.35Å; F218-R247 HydrophobicContact CD1-CB 4.29Å; F218-R247 HydrophobicContact CE1-CB 4.06Å; F218-R247 HydrophobicContact CE1-CG 4.47Å; F218-L257 HydrophobicContact CE1-CD2 3.77Å; F218-L257 HydrophobicContact CZ-CD2 3.76Å; F218-L259 HydrophobicContact CE2-CB 4.08Å; F218-L259 HydrophobicContact CZ-CB 4.07Å
219	A	89.4	Confident	81.1	Confident	4 Å²	4	72.7 Å²	72.7	3%	0.033	38%	0.375	C	S	.	.			trans	-87.2	124.8	176.9	0	0	0	0	0	110.9	K216 H221 Y222	K216-A219 VanDerWaalsContact O-CB 3.27Å; K216-A219 WeakPolarHBondContact O-CB 3.46Å; K216-A219 PolarHBondContact O-N 2.92Å; A219-H221 PolarHBondContact O-N 2.84Å; A219-Y222 PolarHBondContact O-N 3.22Å
220	Y	85.7	Confident	79.4	Confident	2 Å²	2	82 Å²	82	1%	0.008	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-17	-175.8	-67.3	-78.7	0	0	0	116.3	L67 N68 Y71 Y241 P244 L245 L248	L67-Y220 HydrophobicContact CB-CD2 3.47Å; L67-Y220 VanDerWaalsContact CB-CD2 3.47Å; L67-Y220 HydrophobicContact CB-CE1 4.48Å; L67-Y220 HydrophobicContact CB-CE2 3.35Å; L67-Y220 HydrophobicContact CB-CG 4.11Å; L67-Y220 HydrophobicContact CD1-CD1 4.44Å; L67-Y220 HydrophobicContact CD1-CD2 3.44Å; L67-Y220 VanDerWaalsContact CD1-CD2 3.44Å; L67-Y220 HydrophobicContact CD1-CE2 4.24Å; L67-Y220 HydrophobicContact CD1-CG 3.56Å; L67-Y220 HydrophobicContact CG-CD2 4.11Å; L67-Y220 HydrophobicContact CG-CE2 4.45Å; L67-Y220 HydrophobicContact CG-CG 4.47Å; N68-Y220 WeakPolarHBondContact OD1-CE2 3.44Å; N68-Y220 PolarHBondContact OD1-OH 2.79Å; Y71-Y220 HydrophobicContact CD2-CD1 4.33Å; Y71-Y220 AromaticContact CD2-CE1 3.56Å; Y71-Y220 HydrophobicContact CD2-CE1 3.56Å; Y71-Y220 AromaticContact CD2-CZ 3.8Å; Y71-Y220 AromaticContact CE2-CD1 3.99Å; Y71-Y220 HydrophobicContact CE2-CD1 3.99Å; Y71-Y220 AromaticContact CE2-CE1 3.67Å; Y71-Y220 HydrophobicContact CE2-CE1 3.67Å; Y220-Y241 AromaticContact CD1-CD1 3.52Å; Y220-Y241 HydrophobicContact CD1-CD1 3.52Å; Y220-Y241 AromaticContact CD1-CE1 3.37Å; Y220-Y241 HydrophobicContact CD1-CE1 3.37Å; Y220-Y241 HydrophobicContact CD1-CG 4.27Å; Y220-Y241 HydrophobicContact CE1-CD1 4.1Å; Y220-Y241 HydrophobicContact CE1-CE1 4.17Å; Y220-Y241 HydrophobicContact CG-CE1 4.1Å; Y220-Y241 WeakPolarHBondContact O-CE2 3.1Å; Y220-P244 HydrophobicContact CD1-CB 3.94Å; Y220-P244 HydrophobicContact CD1-CG 3.79Å; Y220-P244 HydrophobicContact CE1-CB 3.61Å; Y220-P244 HydrophobicContact CE1-CG 3.9Å; Y220-P244 HydrophobicContact CE2-CB 4.41Å; Y220-P244 HydrophobicContact CG-CB 4.49Å; Y220-P244 HydrophobicContact CG-CG 4.43Å; Y220-L245 HydrophobicContact CE1-CD2 4.27Å; Y220-L248 VanDerWaalsContact OH-CD1 3.26Å; Y220-L248 WeakPolarHBondContact OH-CD1 3.4Å
221	H	79.3	Confident	77.5	Confident	62 Å²	62	86.7 Å²	86.7	29%	0.287	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	9.2	-177.9	67.4	-67.3	0	0	0	112	L56 H60 A219	L56-H221 HydrophobicContact CD1-CB 3.89Å; H60-H221 AromaticContact CE1-CE1 3.6Å; H60-H221 AromaticContact ND1-CE1 3.22Å; H60-H221 PolarHBondContact ND1-CE1 3.25Å; H60-H221 AromaticContact ND1-ND1 3.97Å; A219-H221 PolarHBondContact O-N 2.84Å
222	Y	75.7	Confident	75.8	Confident	66 Å²	66	79.6 Å²	79.6	26%	0.259	42%	0.415	S	S	.	.			trans	-108.3	122.5	177	-174.8	-96.7	0	0	0	109.3	Q213 K216 L217 A219 T224	Q213-Y222 PolarHBondContact OE1-OH 2.74Å; K216-Y222 HydrophobicContact CB-CD1 3.98Å; K216-Y222 HydrophobicContact CB-CD2 4.1Å; K216-Y222 HydrophobicContact CB-CE1 4.03Å; K216-Y222 HydrophobicContact CB-CE2 4.15Å; K216-Y222 HydrophobicContact CB-CG 4.01Å; K216-Y222 HydrophobicContact CD-CE2 4.21Å; K216-Y222 VanDerWaalsContact O-CB 3.27Å; K216-Y222 WeakPolarHBondContact O-CB 3.33Å; K216-Y222 WeakPolarHBondContact O-CD1 3.32Å; L217-Y222 HydrophobicContact CD2-CD1 4.48Å; L217-Y222 HydrophobicContact CD2-CE1 3.96Å; A219-Y222 PolarHBondContact O-N 3.22Å; Y222-T224 HydrophobicContact CE1-CG2 4.29Å
223	T	71.1	Confident	73.7	Confident	63 Å²	63	87.3 Å²	87.3	39%	0.387	42%	0.423	S	S	.	.			trans	-144.8	143.6	171	-178.4	0	0	0	0	108.3	A225	T223-A225 VanDerWaalsContact C-N 3.26Å; T223-A225 WeakPolarHBondContact OG1-CB 3.2Å; T223-A225 PolarHBondContact OG1-N 3.43Å; T223-A225 VanDerWaalsContact OG1-N 3.13Å
224	T	63.5	Low	71.9	Confident	97 Å²	97	87 Å²	87	60%	0.595	43%	0.428	S	S	*	.	S	Bend	trans	-86.9	-2.7	171.2	56.1	0	0	0	0	111.8	Y222	Y222-T224 HydrophobicContact CE1-CG2 4.29Å
225	A	66.5	Low	70.7	Confident	12 Å²	12	86.7 Å²	86.7	10%	0.099	43%	0.428	C	S	.	.	S	Bend	trans	-93.8	146.6	-177.2	0	0	0	0	0	112.2	T223 A237	T223-A225 VanDerWaalsContact C-N 3.26Å; T223-A225 WeakPolarHBondContact OG1-CB 3.2Å; T223-A225 PolarHBondContact OG1-N 3.43Å; T223-A225 VanDerWaalsContact OG1-N 3.13Å; A225-A237 HydrophobicContact CB-CB 3.35Å
226	P	63.2	Low	69.6	Low	106 Å²	106	78.7 Å²	78.7	69%	0.688	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-61.1	155.9	163.5	29.1	-33.4	0	0	0	109.9
227	R	65.1	Low	68.4	Low	144 Å²	144	74.2 Å²	74.2	54%	0.543	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-58.5	131.3	173.3	-67.7	-175.5	-170.4	-173.5	2.6	108.8	S51	S51-R227 PolarHBondContact OG-NH2 2.76Å
228	P	62.5	Low	67.2	Low	40 Å²	40	74.4 Å²	74.4	26%	0.26	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-60.1	141.6	175.3	24	-31.1	0	0	0	109.8	P235 L239	P228-P235 HydrophobicContact CB-CB 3.83Å; P228-P235 HydrophobicContact CB-CG 3.7Å; P228-P235 HydrophobicContact CG-CG 4.15Å; P228-L239 HydrophobicContact CG-CD2 4.05Å
229	L	62.3	Low	66.2	Low	144 Å²	144	75.8 Å²	75.8	75%	0.754	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-64.5	146.3	171.8	-66	172.4	0	0	0	108.2	D231 D232	L229-D231 PolarHBondContact O-N 2.83Å; L229-D232 WeakPolarHBondContact O-CB 3.36Å; L229-D232 PolarHBondContact O-N 2.81Å
230	K	58.5	Low	65.6	Low	228 Å²	228	76.4 Å²	76.4	99%	0.991	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.3	-177.4	-78.1	-174	174.9	-176.6	0	114.4
231	D	54.3	Low	65.7	Low	135 Å²	135	77 Å²	77	72%	0.722	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-3.8	-178.8	-134.5	-0.9	0	0	0	113.5	L229 R233	L229-D231 PolarHBondContact O-N 2.83Å; D231-R233 PolarHBondContact O-N 2.75Å; D231-R233 VanDerWaalsContact O-N 3.1Å
232	D	58	Low	66.3	Low	75 Å²	75	74.7 Å²	74.7	40%	0.401	39%	0.391	S	S	.	.			trans	-81	91.7	174.9	-163.7	-8.3	0	0	0	108.8	L229 C234 P235	L229-D232 WeakPolarHBondContact O-CB 3.36Å; L229-D232 PolarHBondContact O-N 2.81Å; D232-C234 PolarHBondContact O-N 3.02Å; D232-P235 HydrophobicContact CB-CB 4.41Å; D232-P235 WeakPolarHBondContact O-CD 3.24Å; D232-P235 WeakPolarHBondContact OD2-CA 3.2Å; D232-P235 VanDerWaalsContact OD2-CB 3.29Å; D232-P235 WeakPolarHBondContact OD2-CB 3.49Å
233	R	47.4	Very low	67.1	Low	231 Å²	231	72.7 Å²	72.7	87%	0.872	39%	0.385	S	S	*	.	S	Bend	trans	-67.8	-18.4	-173.3	-58.5	-176	-157.1	172.4	7.7	113.2	D231	D231-R233 PolarHBondContact O-N 2.75Å; D231-R233 VanDerWaalsContact O-N 3.1Å
234	C	54.3	Low	68.2	Low	68 Å²	68	69.7 Å²	69.7	46%	0.459	37%	0.367	S	S	.	.	S	Bend	trans	-154.5	74.5	177.6	-156	0	0	0	0	110.4	M122 D232 M236	M122-C234 HydrophobicContact SD-CB 4.25Å; M122-C234 PolarHBondContact SD-SG 3.08Å; D232-C234 PolarHBondContact O-N 3.02Å; C234-M236 PolarHBondContact O-N 3.31Å
235	P	64.6	Low	69.7	Low	23 Å²	23	65.8 Å²	65.8	15%	0.149	34%	0.342	C	S	.	.			trans	-67.6	135.3	-176.1	30	-36.1	0	0	0	109.6	P228 D232 A237	P228-P235 HydrophobicContact CB-CB 3.83Å; P228-P235 HydrophobicContact CB-CG 3.7Å; P228-P235 HydrophobicContact CG-CG 4.15Å; D232-P235 HydrophobicContact CB-CB 4.41Å; D232-P235 WeakPolarHBondContact O-CD 3.24Å; D232-P235 WeakPolarHBondContact OD2-CA 3.2Å; D232-P235 VanDerWaalsContact OD2-CB 3.29Å; D232-P235 WeakPolarHBondContact OD2-CB 3.49Å; P235-A237 WeakPolarHBondContact CB-O 3.31Å; P235-A237 PolarHBondContact O-N 3.14Å
236	M	67.5	Low	71.1	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.02	34%	0.337	C	S	.	.	S	Bend	trans	-52.6	-23.9	169.3	-83.3	-62.3	-68	0	0	112.8	M122 C123 K126 Y127 K165 L168 R169 C234	M122-M236 HydrophobicContact CB-CG 4.25Å; M122-M236 HydrophobicContact CB-SD 3.45Å; M122-M236 WeakPolarHBondContact CB-SD 3.25Å; M122-M236 HydrophobicContact CE-SD 4.47Å; C123-M236 VanDerWaalsContact CA-SD 3.58Å; C123-M236 HydrophobicContact CB-CE 3.63Å; C123-M236 HydrophobicContact CB-SD 4.02Å; C123-M236 PolarHBondContact N-SD 2.92Å; K126-M236 HydrophobicContact CB-CG 4.02Å; K126-M236 HydrophobicContact CD-CB 3.63Å; K126-M236 HydrophobicContact CD-CG 3.72Å; Y127-M236 HydrophobicContact CE2-CB 4.47Å; Y127-M236 HydrophobicContact CE2-CG 4.27Å; K165-M236 HydrophobicContact CB-CE 4.44Å; K165-M236 HydrophobicContact CG-CE 4.45Å; K165-M236 HydrophobicContact CG-SD 4.28Å; K165-M236 WeakPolarHBondContact O-CE 3.46Å; L168-M236 HydrophobicContact CB-CE 4.33Å; R169-M236 HydrophobicContact CB-CE 4.15Å; C234-M236 PolarHBondContact O-N 3.31Å
237	A	63.8	Low	72.8	Confident	12 Å²	12	62.3 Å²	62.3	10%	0.099	31%	0.312	C	S	.	.	S	Bend	trans	-130.4	109	173.1	0	0	0	0	0	110.2	A225 P235	A225-A237 HydrophobicContact CB-CB 3.35Å; P235-A237 WeakPolarHBondContact CB-O 3.31Å; P235-A237 PolarHBondContact O-N 3.14Å
238	G	65.9	Low	74.3	Confident	28 Å²	28	55.5 Å²	55.5	29%	0.289	29%	0.287	S	S	.	.			trans	-86.3	-152.3	-179.6	0	0	0	0	0	113.8	G240	G238-G240 PolarHBondContact O-N 2.73Å
239	L	70.7	Confident	75.9	Confident	47 Å²	47	54.6 Å²	54.6	25%	0.246	28%	0.278	C	S	.	.	S	Bend	trans	-73.4	6.1	-173.5	-56.8	172.9	0	0	0	114.9	A43 I47 P228 Y241	A43-L239 HydrophobicContact CB-CB 4.09Å; A43-L239 HydrophobicContact CB-CD1 3.48Å; A43-L239 VanDerWaalsContact CB-CD1 3.48Å; A43-L239 HydrophobicContact CB-CG 4.38Å; I47-L239 HydrophobicContact CD1-CB 4.49Å; I47-L239 HydrophobicContact CD1-CD2 3.77Å; P228-L239 HydrophobicContact CG-CD2 4.05Å; L239-Y241 HydrophobicContact CB-CD2 4.02Å; L239-Y241 WeakPolarHBondContact O-CD2 3.39Å
240	G	78.9	Confident	77.5	Confident	17 Å²	17	47.7 Å²	47.7	18%	0.175	24%	0.242	C	C	.	.	S	Bend	trans	87.5	14.7	-176.1	0	0	0	0	0	115.2	G238	G238-G240 PolarHBondContact O-N 2.73Å
241	Y	87.6	Confident	79.4	Confident	14 Å²	14	41.2 Å²	41.2	6%	0.055	21%	0.212	C	C	.	.			trans	-96.5	-13.5	-174.3	-82.8	-111.9	0	0	0	114.4	V39 A43 L46 Y71 Y220 L239 P244 L245	V39-Y241 HydrophobicContact CG1-CD1 4.15Å; A43-Y241 WeakPolarHBondContact CA-OH 3.49Å; A43-Y241 HydrophobicContact CB-CD2 3.9Å; A43-Y241 HydrophobicContact CB-CE1 4.26Å; A43-Y241 HydrophobicContact CB-CE2 3.37Å; L46-Y241 WeakPolarHBondContact CD1-OH 3.14Å; Y71-Y241 HydrophobicContact CE2-CD1 4.12Å; Y71-Y241 AromaticContact CE2-CE1 3.64Å; Y71-Y241 HydrophobicContact CE2-CE1 3.64Å; Y71-Y241 AromaticContact CZ-CE1 3.66Å; Y71-Y241 WeakPolarHBondContact OH-CE1 3.42Å; Y220-Y241 AromaticContact CD1-CD1 3.52Å; Y220-Y241 HydrophobicContact CD1-CD1 3.52Å; Y220-Y241 AromaticContact CD1-CE1 3.37Å; Y220-Y241 HydrophobicContact CD1-CE1 3.37Å; Y220-Y241 HydrophobicContact CD1-CG 4.27Å; Y220-Y241 HydrophobicContact CE1-CD1 4.1Å; Y220-Y241 HydrophobicContact CE1-CE1 4.17Å; Y220-Y241 HydrophobicContact CG-CE1 4.1Å; Y220-Y241 WeakPolarHBondContact O-CE2 3.1Å; L239-Y241 HydrophobicContact CB-CD2 4.02Å; L239-Y241 WeakPolarHBondContact O-CD2 3.39Å; Y241-P244 VanDerWaalsContact O-CD 3.32Å; Y241-P244 WeakPolarHBondContact O-CD 3.41Å; Y241-P244 WeakPolarHBondContact O-CG 2.92Å; Y241-L245 HydrophobicContact CD1-CD1 4.27Å; Y241-L245 HydrophobicContact CD1-CG 4.41Å; Y241-L245 VanDerWaalsContact O-CB 3.25Å; Y241-L245 WeakPolarHBondContact O-CB 3.46Å; Y241-L245 WeakPolarHBondContact O-CG 3.4Å; Y241-L245 PolarHBondContact O-N 3.17Å
242	G	90.5	Very high	81.3	Confident	15 Å²	15	37.1 Å²	37.1	16%	0.155	19%	0.186	C	C	.	.	H	α-helix	trans	-56.1	-61.7	-173.6	0	0	0	0	0	112.9	E162 L245 S246	E162-G242 WeakPolarHBondContact OE2-CA 3.29Å; G242-L245 PolarHBondContact O-N 3.18Å; G242-S246 WeakPolarHBondContact O-CB 3.38Å; G242-S246 PolarHBondContact O-N 2.83Å; G242-S246 PolarHBondContact O-OG 3.35Å
243	L	93.7	Very high	83	Confident	23 Å²	23	36.5 Å²	36.5	12%	0.12	18%	0.18	C	C	.	.	H	α-helix	trans	-57	-50.8	179.8	-73.4	174.6	0	0	0	114.6	L163 L217 F218 L245 S246 R247 L259	L163-L243 HydrophobicContact CD2-CD2 3.59Å; L217-L243 HydrophobicContact CB-CD1 3.86Å; F218-L243 HydrophobicContact CD1-CB 4.33Å; F218-L243 HydrophobicContact CE1-CB 4.3Å; L243-L245 PolarHBondContact O-N 2.84Å; L243-S246 PolarHBondContact O-N 2.99Å; L243-R247 PolarHBondContact O-N 3.47Å; L243-R247 VanDerWaalsContact O-N 3.08Å; L243-L259 HydrophobicContact CD1-CD2 4.47Å
244	P	94.6	Very high	85.3	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-38.2	179.4	21.3	-30.6	0	0	0	113	F218 Y220 Y241 R247 L248	F218-P244 WeakPolarHBondContact O-CB 3.35Å; Y220-P244 HydrophobicContact CD1-CB 3.94Å; Y220-P244 HydrophobicContact CD1-CG 3.79Å; Y220-P244 HydrophobicContact CE1-CB 3.61Å; Y220-P244 HydrophobicContact CE1-CG 3.9Å; Y220-P244 HydrophobicContact CE2-CB 4.41Å; Y220-P244 HydrophobicContact CG-CB 4.49Å; Y220-P244 HydrophobicContact CG-CG 4.43Å; Y241-P244 VanDerWaalsContact O-CD 3.32Å; Y241-P244 WeakPolarHBondContact O-CD 3.41Å; Y241-P244 WeakPolarHBondContact O-CG 2.92Å; P244-R247 PolarHBondContact O-N 2.76Å; P244-L248 WeakPolarHBondContact O-CG 3.35Å; P244-L248 PolarHBondContact O-N 2.84Å; P244-L248 VanDerWaalsContact O-N 3.17Å
245	L	94.5	Very high	87.2	Confident	14 Å²	14	29.9 Å²	29.9	7%	0.073	16%	0.156	C	C	.	.	H	α-helix	trans	-68.7	-44	176.7	-68.9	178.2	0	0	0	111.9	V39 Y71 Y220 Y241 G242 L243 R247 L248 Y249	V39-L245 HydrophobicContact CG1-CD1 3.7Å; V39-L245 HydrophobicContact CG2-CD1 4.29Å; Y71-L245 HydrophobicContact CD1-CD2 4.01Å; Y71-L245 HydrophobicContact CD2-CD2 3.9Å; Y71-L245 HydrophobicContact CE2-CD2 4.46Å; Y71-L245 HydrophobicContact CG-CD2 3.67Å; Y220-L245 HydrophobicContact CE1-CD2 4.27Å; Y241-L245 HydrophobicContact CD1-CD1 4.27Å; Y241-L245 HydrophobicContact CD1-CG 4.41Å; Y241-L245 VanDerWaalsContact O-CB 3.25Å; Y241-L245 WeakPolarHBondContact O-CB 3.46Å; Y241-L245 WeakPolarHBondContact O-CG 3.4Å; Y241-L245 PolarHBondContact O-N 3.17Å; G242-L245 PolarHBondContact O-N 3.18Å; L243-L245 PolarHBondContact O-N 2.84Å; L245-R247 PolarHBondContact O-N 2.92Å; L245-L248 HydrophobicContact CD2-CD1 4.39Å; L245-L248 WeakPolarHBondContact O-CA 3.15Å; L245-L248 WeakPolarHBondContact O-CB 3.37Å; L245-L248 PolarHBondContact O-N 3.36Å; L245-Y249 VanDerWaalsContact O-CD2 3.24Å; L245-Y249 WeakPolarHBondContact O-CD2 3.18Å; L245-Y249 PolarHBondContact O-N 2.99Å
246	S	96.5	Very high	88.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.6	-39.3	175.3	-63.8	0	0	0	0	111.6	M159 G242 L243 L248 Y249 A250	M159-S246 WeakPolarHBondContact CG-O 3.41Å; M159-S246 VanDerWaalsContact SD-O 3.39Å; G242-S246 WeakPolarHBondContact O-CB 3.38Å; G242-S246 PolarHBondContact O-N 2.83Å; G242-S246 PolarHBondContact O-OG 3.35Å; L243-S246 PolarHBondContact O-N 2.99Å; S246-L248 PolarHBondContact O-N 2.99Å; S246-Y249 PolarHBondContact O-N 2.95Å; S246-A250 PolarHBondContact O-N 3.04Å
247	R	97	Very high	90.2	Very high	45 Å²	45	31.5 Å²	31.5	17%	0.17	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-39.5	173.8	-167.6	176.3	73.8	-174.1	2	112.6	F218 L243 P244 L245 Y249 A250 W251 L257	F218-R247 HydrophobicContact CD1-CB 4.29Å; F218-R247 HydrophobicContact CE1-CB 4.06Å; F218-R247 HydrophobicContact CE1-CG 4.47Å; L243-R247 PolarHBondContact O-N 3.47Å; L243-R247 VanDerWaalsContact O-N 3.08Å; P244-R247 PolarHBondContact O-N 2.76Å; L245-R247 PolarHBondContact O-N 2.92Å; R247-Y249 VanDerWaalsContact C-N 3.35Å; R247-A250 PolarHBondContact O-N 2.99Å; R247-W251 HydrophobicContact CG-CD2 4.18Å; R247-W251 HydrophobicContact CG-CZ2 3.92Å; R247-W251 VanDerWaalsContact CZ-CH2 3.48Å; R247-W251 VanDerWaalsContact NE-CH2 3.29Å; R247-W251 VanDerWaalsContact NH2-CH2 3.33Å; R247-W251 VanDerWaalsContact O-CG 3.27Å; R247-W251 PolarHBondContact O-N 3.35Å; R247-L257 HydrophobicContact CB-CB 4.08Å; R247-L257 HydrophobicContact CG-CB 4.07Å
248	L	97.2	Very high	91.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-37.2	175	-65.3	-173.2	0	0	0	112.8	N68 Y71 I75 Y220 P244 L245 S246 A250 W251 Y252	N68-L248 HydrophobicContact CB-CD2 4.17Å; Y71-L248 HydrophobicContact CG-CD1 4.4Å; I75-L248 HydrophobicContact CD1-CB 3.87Å; Y220-L248 VanDerWaalsContact OH-CD1 3.26Å; Y220-L248 WeakPolarHBondContact OH-CD1 3.4Å; P244-L248 WeakPolarHBondContact O-CG 3.35Å; P244-L248 PolarHBondContact O-N 2.84Å; P244-L248 VanDerWaalsContact O-N 3.17Å; L245-L248 HydrophobicContact CD2-CD1 4.39Å; L245-L248 WeakPolarHBondContact O-CA 3.15Å; L245-L248 WeakPolarHBondContact O-CB 3.37Å; L245-L248 PolarHBondContact O-N 3.36Å; S246-L248 PolarHBondContact O-N 2.99Å; L248-A250 VanDerWaalsContact C-N 3.33Å; L248-W251 HydrophobicContact CD2-CE3 3.55Å; L248-W251 HydrophobicContact CD2-CZ3 3.85Å; L248-W251 PolarHBondContact O-N 2.75Å; L248-Y252 WeakPolarHBondContact O-CB 3.3Å; L248-Y252 PolarHBondContact O-N 3.27Å
249	Y	96.3	Very high	93.3	Very high	21 Å²	21	33.3 Å²	33.3	8%	0.082	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-41.9	173.4	-82.2	-72.5	0	0	0	111.5	I75 H155 H158 L245 S246 R247 Y252	I75-Y249 HydrophobicContact CD1-CD1 4.07Å; I75-Y249 HydrophobicContact CD1-CD2 4.2Å; I75-Y249 HydrophobicContact CD1-CE1 4.1Å; I75-Y249 HydrophobicContact CD1-CE2 4.2Å; I75-Y249 HydrophobicContact CD1-CG 4.13Å; I75-Y249 HydrophobicContact CG1-CD1 4.34Å; I75-Y249 HydrophobicContact CG1-CE1 3.93Å; I75-Y249 HydrophobicContact CG1-CE2 4.49Å; I75-Y249 HydrophobicContact CG2-CD1 4.14Å; I75-Y249 HydrophobicContact CG2-CE1 4.03Å; H155-Y249 HydrophobicContact CB-CD1 4.08Å; H155-Y249 AromaticContact CD2-CD1 3.69Å; H155-Y249 AromaticContact CD2-CE1 3.61Å; H155-Y249 AromaticContact CE1-CD1 3.85Å; H155-Y249 AromaticContact CG-CD1 3.58Å; H155-Y249 AromaticContact ND1-CD1 3.7Å; H155-Y249 AromaticContact NE2-CD1 3.86Å; H155-Y249 AromaticContact NE2-CE1 3.67Å; H158-Y249 AromaticContact CD2-CD2 3.33Å; H158-Y249 WeakPolarHBondContact CD2-CD2 3.35Å; H158-Y249 AromaticContact CD2-CE2 3.22Å; H158-Y249 WeakPolarHBondContact CD2-CE2 3.48Å; H158-Y249 AromaticContact CG-CE2 3.89Å; H158-Y249 AromaticContact NE2-CD2 3.91Å; H158-Y249 AromaticContact NE2-CE2 3.5Å; L245-Y249 VanDerWaalsContact O-CD2 3.24Å; L245-Y249 WeakPolarHBondContact O-CD2 3.18Å; L245-Y249 PolarHBondContact O-N 2.99Å; S246-Y249 PolarHBondContact O-N 2.95Å; R247-Y249 VanDerWaalsContact C-N 3.35Å; Y249-Y252 PolarHBondContact O-N 2.63Å
250	A	96.9	Very high	94.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-49.1	173.4	0	0	0	0	0	111.5	M159 S246 R247 L248 Y252 F253 G255 L257	M159-A250 HydrophobicContact SD-CB 3.69Å; M159-A250 PolarHBondContact SD-N 2.7Å; M159-A250 VanDerWaalsContact SD-N 3.38Å; S246-A250 PolarHBondContact O-N 3.04Å; R247-A250 PolarHBondContact O-N 2.99Å; L248-A250 VanDerWaalsContact C-N 3.33Å; A250-Y252 PolarHBondContact O-N 3.35Å; A250-F253 PolarHBondContact O-N 3.31Å; A250-G255 CarbonylContact O-C 3.51Å; A250-G255 VanDerWaalsContact O-CA 3.26Å; A250-G255 WeakPolarHBondContact O-CA 3.21Å; A250-G255 PolarHBondContact O-N 2.84Å; A250-L257 HydrophobicContact CB-CB 4.27Å
251	W	96.7	Very high	95.3	Very high	91 Å²	91	33.9 Å²	33.9	35%	0.345	17%	0.17	S	C	.	.	H	α-helix	trans	-60.4	-31.1	179.1	-71.7	-5.7	0	0	0	113.7	R247 L248 F253 H254 D256	R247-W251 HydrophobicContact CG-CD2 4.18Å; R247-W251 HydrophobicContact CG-CZ2 3.92Å; R247-W251 VanDerWaalsContact CZ-CH2 3.48Å; R247-W251 VanDerWaalsContact NE-CH2 3.29Å; R247-W251 VanDerWaalsContact NH2-CH2 3.33Å; R247-W251 VanDerWaalsContact O-CG 3.27Å; R247-W251 PolarHBondContact O-N 3.35Å; L248-W251 HydrophobicContact CD2-CE3 3.55Å; L248-W251 HydrophobicContact CD2-CZ3 3.85Å; L248-W251 PolarHBondContact O-N 2.75Å; W251-F253 PolarHBondContact O-N 2.81Å; W251-H254 PolarHBondContact O-N 2.98Å; W251-D256 PolarHBondContact NE1-OD1 3.47Å
252	Y	95.6	Very high	95.8	Very high	49 Å²	49	38.6 Å²	38.6	19%	0.192	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-35.8	-175.2	-178.1	-111.6	0	0	0	113.2	L72 I75 M79 H155 L248 Y249 A250	L72-Y252 HydrophobicContact CD1-CD2 3.99Å; I75-Y252 HydrophobicContact CG2-CD1 4.02Å; I75-Y252 HydrophobicContact CG2-CD2 4.03Å; I75-Y252 HydrophobicContact CG2-CE1 4.41Å; I75-Y252 HydrophobicContact CG2-CE2 4.45Å; I75-Y252 HydrophobicContact CG2-CG 3.81Å; M79-Y252 HydrophobicContact CB-CE1 4.19Å; M79-Y252 HydrophobicContact CE-CE1 4.32Å; M79-Y252 HydrophobicContact CG-CE1 4.06Å; H155-Y252 AromaticContact CE1-CD1 3.68Å; L248-Y252 WeakPolarHBondContact O-CB 3.3Å; L248-Y252 PolarHBondContact O-N 3.27Å; Y249-Y252 PolarHBondContact O-N 2.63Å; A250-Y252 PolarHBondContact O-N 3.35Å
253	F	93.9	Very high	96	Very high	62 Å²	62	44.5 Å²	44.5	27%	0.272	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	38	173.7	-68.6	-58.4	0	0	0	112.2	M79 Y151 H155 A250 W251 G255	M79-F253 HydrophobicContact CE-CE2 4.09Å; M79-F253 HydrophobicContact CE-CZ 3.98Å; Y151-F253 HydrophobicContact CD2-CD2 4.43Å; Y151-F253 HydrophobicContact CE2-CB 3.87Å; Y151-F253 AromaticContact CE2-CD2 3.69Å; Y151-F253 HydrophobicContact CE2-CD2 3.69Å; Y151-F253 HydrophobicContact CE2-CG 4.13Å; Y151-F253 AromaticContact CZ-CD2 3.89Å; H155-F253 AromaticContact CE1-CE2 3.99Å; H155-F253 AromaticContact ND1-CE2 3.73Å; A250-F253 PolarHBondContact O-N 3.31Å; W251-F253 PolarHBondContact O-N 2.81Å; F253-G255 PolarHBondContact O-N 2.95Å; F253-G255 VanDerWaalsContact O-N 3.14Å
254	H	94	Very high	96.1	Very high	146 Å²	146	45.7 Å²	45.7	68%	0.676	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	25.1	175.9	-56.8	-74.1	0	0	0	115.2	W251 K274	W251-H254 PolarHBondContact O-N 2.98Å; H254-K274 HydrophobicContact CB-CD 4.06Å
255	G	95.7	Very high	96.2	Very high	14 Å²	14	50 Å²	50	14%	0.144	25%	0.249	C	C	.	.			trans	-88.7	-165.3	168.3	0	0	0	0	0	112.4	A250 F253 Y272	A250-G255 CarbonylContact O-C 3.51Å; A250-G255 VanDerWaalsContact O-CA 3.26Å; A250-G255 WeakPolarHBondContact O-CA 3.21Å; A250-G255 PolarHBondContact O-N 2.84Å; F253-G255 PolarHBondContact O-N 2.95Å; F253-G255 VanDerWaalsContact O-N 3.14Å; G255-Y272 CarbonylContact C-O 3.58Å; G255-Y272 WeakPolarHBondContact CA-O 3.35Å
256	D	97.1	Very high	96.4	Very high	59 Å²	59	49.4 Å²	49.4	32%	0.316	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	161.3	172.3	-158.8	5.4	0	0	0	111.8	W251 I271 Y272	W251-D256 PolarHBondContact NE1-OD1 3.47Å; D256-I271 CarbonylContact O-C 3.54Å; D256-I271 WeakPolarHBondContact O-CA 3.08Å; D256-Y272 HydrophobicContact CB-CD2 4.33Å; D256-Y272 PolarHBondContact N-O 2.85Å; D256-Y272 VanDerWaalsContact N-O 3.09Å; D256-Y272 PolarHBondContact O-N 2.74Å
257	L	97.9	Very high	96.5	Very high	3 Å²	3	50 Å²	50	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	114.9	170.1	-172.4	155	0	0	0	109.1	L163 F218 R247 A250 C270 I271	L163-L257 HydrophobicContact CD1-CD1 4.08Å; L163-L257 HydrophobicContact CD2-CD1 4.29Å; L163-L257 HydrophobicContact CG-CD1 4.39Å; F218-L257 HydrophobicContact CE1-CD2 3.77Å; F218-L257 HydrophobicContact CZ-CD2 3.76Å; R247-L257 HydrophobicContact CB-CB 4.08Å; R247-L257 HydrophobicContact CG-CB 4.07Å; A250-L257 HydrophobicContact CB-CB 4.27Å; L257-C270 CarbonylContact C-O 3.58Å; L257-C270 WeakPolarHBondContact CA-O 3.41Å; L257-I271 HydrophobicContact CD1-CG1 4.14Å; L257-I271 HydrophobicContact CG-CG1 4.42Å
258	V	97.1	Very high	96.5	Very high	56 Å²	56	48.2 Å²	48.2	34%	0.339	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.2	-177.7	-178.2	0	0	0	0	109.5	C270 Y272	V258-C270 PolarHBondContact N-O 3.07Å; V258-C270 PolarHBondContact O-N 3.06Å; V258-Y272 HydrophobicContact CB-CE2 4.3Å; V258-Y272 HydrophobicContact CG2-CD2 4.44Å; V258-Y272 HydrophobicContact CG2-CE2 3.97Å
259	L	96.9	Very high	96.6	Very high	22 Å²	22	48.5 Å²	48.5	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.5	174.8	-175.7	68.5	0	0	0	109.7	L217 F218 L243 A269	L217-L259 HydrophobicContact CD1-CD2 3.47Å; L217-L259 VanDerWaalsContact CD1-CD2 3.47Å; F218-L259 HydrophobicContact CE2-CB 4.08Å; F218-L259 HydrophobicContact CZ-CB 4.07Å; L243-L259 HydrophobicContact CD1-CD2 4.47Å; L259-A269 HydrophobicContact CD1-CB 3.86Å
260	T	96.6	Very high	96.7	Very high	62 Å²	62	48.2 Å²	48.2	38%	0.38	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.9	170.1	-58.1	0	0	0	0	108.2	Y262 D268	T260-Y262 HydrophobicContact CG2-CE1 4.19Å; T260-Y262 HydrophobicContact CG2-CE2 4.22Å; T260-D268 PolarHBondContact N-O 3.27Å; T260-D268 PolarHBondContact O-N 3.16Å
261	S	96.3	Very high	96.7	Very high	14 Å²	14	48.2 Å²	48.2	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.1	-178.1	-177.6	0	0	0	0	111.8	G208 V209 S267	G208-S261 WeakPolarHBondContact CA-OG 3.49Å; V209-S261 PolarHBondContact N-OG 2.95Å; V209-S261 PolarHBondContact O-OG 2.9Å; S261-S267 PolarHBondContact OG-OG 3.42Å
262	Y	96.3	Very high	96.8	Very high	113 Å²	113	48 Å²	48	44%	0.443	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	98.7	179.3	-49.5	-82.5	0	0	0	108.1	T260 G264 H265 G266 D268	T260-Y262 HydrophobicContact CG2-CE1 4.19Å; T260-Y262 HydrophobicContact CG2-CE2 4.22Å; Y262-G264 PolarHBondContact O-N 2.95Å; Y262-H265 PolarHBondContact O-N 3.49Å; Y262-G266 PolarHBondContact N-O 2.71Å; Y262-G266 PolarHBondContact O-N 3.47Å; Y262-D268 HydrophobicContact CE2-CB 4.43Å
263	E	96.2	Very high	96.8	Very high	139 Å²	139	45.8 Å²	45.8	65%	0.65	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	131.5	179.8	-174.6	177.9	-176.6	0	0	111.3	G207 P210 H265	G207-E263 CarbonylContact O-C 3.56Å; P210-E263 WeakPolarHBondContact CA-OE2 3.16Å; P210-E263 WeakPolarHBondContact CB-OE2 3.42Å; P210-E263 HydrophobicContact CG-CG 4.36Å; E263-H265 VanDerWaalsContact C-N 3.32Å
264	G	95.7	Very high	96.8	Very high	48 Å²	48	45.8 Å²	45.8	50%	0.495	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-3.8	-172.6	0	0	0	0	0	115.1	Y174 G207 Y262	Y174-G264 PolarHBondContact OH-O 3.34Å; Y174-G264 VanDerWaalsContact OH-O 3.07Å; G207-G264 CarbonylContact O-C 3.56Å; G207-G264 WeakPolarHBondContact O-CA 3.3Å; G207-G264 PolarHBondContact O-N 3.01Å; Y262-G264 PolarHBondContact O-N 2.95Å
265	H	96.7	Very high	96.6	Very high	92 Å²	92	39.4 Å²	39.4	43%	0.426	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-127.2	-61.3	-176.9	-178.9	-81	0	0	0	113.3	R205 G207 Y262 E263	R205-H265 CarbonylContact C-O 3.54Å; R205-H265 WeakPolarHBondContact CA-O 3.27Å; G207-H265 PolarHBondContact N-O 2.8Å; G207-H265 PolarHBondContact O-N 3.26Å; Y262-H265 PolarHBondContact O-N 3.49Å; E263-H265 VanDerWaalsContact C-N 3.32Å
266	G	97.5	Very high	96	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.7	-170.8	-174.4	0	0	0	0	0	113.3	D204 Y262	D204-G266 WeakPolarHBondContact OD1-CA 3.42Å; Y262-G266 PolarHBondContact N-O 2.71Å; Y262-G266 PolarHBondContact O-N 3.47Å
267	S	98.2	Very high	94.9	Very high	13 Å²	13	47.1 Å²	47.1	9%	0.091	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.6	-177.2	-40.6	0	0	0	0	113.2	R203 D204 S261	R203-S267 WeakPolarHBondContact CA-O 3.37Å; D204-S267 PolarHBondContact N-O 2.9Å; D204-S267 PolarHBondContact OD1-N 3.4Å; D204-S267 WeakPolarHBondContact OD2-CB 3.29Å; S261-S267 PolarHBondContact OG-OG 3.42Å
268	D	98	Very high	93.7	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.032	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.9	170.7	-77.7	3.2	0	0	0	108.5	K201 R203 T260 Y262	K201-D268 WeakPolarHBondContact CE-OD2 3.47Å; K201-D268 IonicContact NZ-OD2 3.49Å; K201-D268 PolarHBondContact NZ-OD2 3.49Å; R203-D268 WeakPolarHBondContact CB-OD1 3.37Å; R203-D268 WeakPolarHBondContact CG-OD1 3.43Å; R203-D268 IonicContact CZ-OD1 2.63Å; R203-D268 IonicContact CZ-OD2 2.94Å; R203-D268 IonicContact NE-OD1 2.83Å; R203-D268 PolarHBondContact NE-OD1 3.5Å; R203-D268 IonicContact NE-OD2 2.69Å; R203-D268 PolarHBondContact NE-OD2 2.92Å; R203-D268 IonicContact NH2-OD1 2.7Å; R203-D268 IonicContact NH2-OD2 2.74Å; R203-D268 PolarHBondContact NH2-OD2 2.98Å; T260-D268 PolarHBondContact N-O 3.27Å; T260-D268 PolarHBondContact O-N 3.16Å; Y262-D268 HydrophobicContact CE2-CB 4.43Å
269	A	98.3	Very high	92.2	Very high	7 Å²	7	56.7 Å²	56.7	6%	0.058	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.9	171.8	0	0	0	0	0	110.1	L163 K201 I202 L259	L163-A269 HydrophobicContact CD1-CB 3.87Å; L163-A269 HydrophobicContact CD2-CB 3.79Å; L163-A269 HydrophobicContact CG-CB 4.38Å; K201-A269 CarbonylContact C-O 3.59Å; K201-A269 WeakPolarHBondContact CA-O 3.49Å; I202-A269 PolarHBondContact N-O 2.77Å; I202-A269 PolarHBondContact O-N 3.36Å; L259-A269 HydrophobicContact CD1-CB 3.86Å
270	C	98.3	Very high	90.2	Very high	15 Å²	15	64 Å²	64	10%	0.101	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.1	-179.8	-64.6	0	0	0	0	110.3	I200 L257 V258 Y272	I200-C270 CarbonylContact O-C 3.38Å; I200-C270 VanDerWaalsContact O-CA 3.32Å; I200-C270 WeakPolarHBondContact O-CA 3.4Å; L257-C270 CarbonylContact C-O 3.58Å; L257-C270 WeakPolarHBondContact CA-O 3.41Å; V258-C270 PolarHBondContact N-O 3.07Å; V258-C270 PolarHBondContact O-N 3.06Å; C270-Y272 HydrophobicContact CB-CE2 3.75Å
271	I	98.5	Very high	89.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.7	167.9	-53.7	170.3	0	0	0	107.7	M159 T160 L163 T199 I200 D256 L257 I273	M159-I271 HydrophobicContact CB-CD1 3.69Å; M159-I271 HydrophobicContact CE-CG2 3.91Å; M159-I271 HydrophobicContact SD-CG2 3.96Å; T160-I271 HydrophobicContact CG2-CD1 3.98Å; L163-I271 HydrophobicContact CD1-CD1 3.77Å; L163-I271 HydrophobicContact CD1-CG1 3.84Å; T199-I271 CarbonylContact C-O 3.55Å; T199-I271 WeakPolarHBondContact CA-O 3.42Å; I200-I271 HydrophobicContact CB-CB 4.3Å; I200-I271 PolarHBondContact N-O 2.94Å; I200-I271 PolarHBondContact O-N 2.76Å; D256-I271 CarbonylContact O-C 3.54Å; D256-I271 WeakPolarHBondContact O-CA 3.08Å; L257-I271 HydrophobicContact CD1-CG1 4.14Å; L257-I271 HydrophobicContact CG-CG1 4.42Å; I271-I273 HydrophobicContact CG2-CD1 4.16Å; I271-I273 HydrophobicContact CG2-CG1 4.02Å
272	Y	97.8	Very high	89.5	Confident	87 Å²	87	66.7 Å²	66.7	34%	0.341	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.8	172.4	-59.7	-83	0	0	0	109.2	T199 G255 D256 V258 C270	T199-Y272 HydrophobicContact CG2-CD1 4.06Å; T199-Y272 HydrophobicContact CG2-CE1 3.74Å; G255-Y272 CarbonylContact C-O 3.58Å; G255-Y272 WeakPolarHBondContact CA-O 3.35Å; D256-Y272 HydrophobicContact CB-CD2 4.33Å; D256-Y272 PolarHBondContact N-O 2.85Å; D256-Y272 VanDerWaalsContact N-O 3.09Å; D256-Y272 PolarHBondContact O-N 2.74Å; V258-Y272 HydrophobicContact CB-CE2 4.3Å; V258-Y272 HydrophobicContact CG2-CD2 4.44Å; V258-Y272 HydrophobicContact CG2-CE2 3.97Å; C270-Y272 HydrophobicContact CB-CE2 3.75Å
273	I	96.6	Very high	89.1	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.015	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.3	178.3	-66.8	168.7	0	0	0	107.8	Y151 L156 M159 D197 L198 I271	Y151-I273 HydrophobicContact CD1-CD1 4.25Å; Y151-I273 HydrophobicContact CD2-CG2 3.48Å; Y151-I273 VanDerWaalsContact CD2-CG2 3.48Å; Y151-I273 HydrophobicContact CE1-CD1 3.87Å; Y151-I273 HydrophobicContact CE1-CG1 4.49Å; Y151-I273 HydrophobicContact CE2-CB 4.4Å; Y151-I273 HydrophobicContact CE2-CD1 4.34Å; Y151-I273 HydrophobicContact CE2-CG1 4.22Å; Y151-I273 HydrophobicContact CE2-CG2 3.37Å; Y151-I273 HydrophobicContact CG-CG2 4.2Å; L156-I273 HydrophobicContact CD1-CD1 4.12Å; M159-I273 HydrophobicContact CE-CD1 4.15Å; D197-I273 CarbonylContact C-O 3.55Å; D197-I273 WeakPolarHBondContact CA-O 3.49Å; L198-I273 HydrophobicContact CB-CB 4.25Å; L198-I273 HydrophobicContact CD2-CD1 4.31Å; L198-I273 PolarHBondContact N-O 2.82Å; L198-I273 PolarHBondContact O-N 2.96Å; I271-I273 HydrophobicContact CG2-CD1 4.16Å; I271-I273 HydrophobicContact CG2-CG1 4.02Å
274	K	94	Very high	88.7	Confident	61 Å²	61	59.8 Å²	59.8	27%	0.265	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.1	172.5	-66.6	-167.9	175.4	-173.1	0	110.7	H254 W276 D279	H254-K274 HydrophobicContact CB-CD 4.06Å; K274-W276 WeakPolarHBondContact CB-O 3.42Å; K274-D279 IonicContact NZ-OD1 3.79Å; K274-D279 PolarHBondContact NZ-OD1 2.99Å; K274-D279 IonicContact NZ-OD2 3.66Å
275	V	89.1	Confident	88.3	Confident	13 Å²	13	60.5 Å²	60.5	8%	0.079	30%	0.298	C	S	.	.	S	Bend	trans	-71.1	-36.3	175.5	178.2	0	0	0	0	110.9	L193 S196 D197 L198	L193-V275 HydrophobicContact CD1-CB 4.48Å; L193-V275 HydrophobicContact CD1-CG1 4.2Å; L193-V275 HydrophobicContact CD1-CG2 3.41Å; L193-V275 VanDerWaalsContact CD1-CG2 3.41Å; S196-V275 WeakPolarHBondContact O-CG2 3.39Å; S196-V275 PolarHBondContact O-N 2.93Å; D197-V275 VanDerWaalsContact C-CG2 3.48Å; L198-V275 HydrophobicContact CB-CG2 4.49Å
276	W	82.6	Confident	87.7	Confident	114 Å²	114	58.4 Å²	58.4	43%	0.432	29%	0.289	S	S	.	.	S	Bend	trans	-113.9	144.5	-178.2	-56.2	107.6	0	0	0	111.1	N195 K274 Y278	N195-W276 PolarHBondContact O-NE1 3.13Å; K274-W276 WeakPolarHBondContact CB-O 3.42Å; W276-Y278 HydrophobicContact CB-CE2 4.44Å; W276-Y278 PolarHBondContact O-N 2.89Å
277	P	73.6	Confident	87	Confident	120 Å²	120	62.5 Å²	62.5	78%	0.779	31%	0.309	S	S	*	.	S	Bend	trans	-74.3	-5.8	179.6	29.2	-32.8	0	0	0	113.7
278	Y	73.1	Confident	86.2	Confident	138 Å²	138	66.3 Å²	66.3	54%	0.541	33%	0.326	S	S	.	.	S	Bend	trans	-125.3	150.2	177.5	49.4	-93.9	0	0	0	109.8	W276	W276-Y278 HydrophobicContact CB-CE2 4.44Å; W276-Y278 PolarHBondContact O-N 2.89Å
279	D	65.1	Low	85.2	Confident	123 Å²	123	71.3 Å²	71.3	66%	0.658	35%	0.35	S	S	*	.			trans	-70.9	131.3	169.2	-64.2	-36.7	0	0	0	108.4	K274	K274-D279 IonicContact NZ-OD1 3.79Å; K274-D279 PolarHBondContact NZ-OD1 2.99Å; K274-D279 IonicContact NZ-OD2 3.66Å
280	N	55.3	Low	84	Confident	175 Å²	175	77.2 Å²	77.2	94%	0.936	38%	0.377	S	S	*	.			trans	-70.9	0	168.8	-79	-26.4	0	0	0	111.1

Retrieved 280 of 280 residues in 155.6 ms (Link to these results)

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