A0A077ZF32_TRITR Loading...

Sel1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF32, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 325 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	37.1	Very low	62.8	Low	211 Å²	211	104.1 Å²	104.1	100%	1.039	56%	0.564	S	S	*	*				0	105.9	0	-165.2	176.4	-102.9	0	0	105.8	F3	M1-F3 PolarHBondContact O-N 3.4Å; M1-F3 HydrophobicContact SD-CE1 4.4Å; M1-F3 HydrophobicContact SD-CZ 4.22Å
2	I	34.5	Very low	65.2	Low	156 Å²	156	100.2 Å²	100.2	80%	0.8	55%	0.55	S	S	*	*			trans	-76	106.7	172.2	-60.9	171	0	0	0	103.7	T4	I2-T4 VanDerWaalsContact C-N 3.25Å; I2-T4 HydrophobicContact CG2-CG2 4.37Å; I2-T4 PolarHBondContact O-N 3.24Å
3	F	37.1	Very low	67.2	Low	180 Å²	180	96.2 Å²	96.2	79%	0.789	53%	0.527	S	S	*	.			trans	-66.1	99.3	162.3	-69	-80.8	0	0	0	104.8	M1 S5	M1-F3 PolarHBondContact O-N 3.4Å; M1-F3 HydrophobicContact SD-CE1 4.4Å; M1-F3 HydrophobicContact SD-CZ 4.22Å; F3-S5 PolarHBondContact O-N 2.94Å
4	T	43.8	Very low	69.1	Low	123 Å²	123	98 Å²	98	76%	0.755	54%	0.536	S	S	*	.			trans	-62.4	108.9	164.2	46	0	0	0	0	104.9	I2 S6	I2-T4 VanDerWaalsContact C-N 3.25Å; I2-T4 HydrophobicContact CG2-CG2 4.37Å; I2-T4 PolarHBondContact O-N 3.24Å; T4-S6 PolarHBondContact O-N 2.82Å
5	S	54.6	Low	70.8	Confident	83 Å²	83	97.4 Å²	97.4	58%	0.58	53%	0.528	S	S	*	.			trans	-57.1	132.4	171.4	70.6	0	0	0	0	107.3	F3 D9	F3-S5 PolarHBondContact O-N 2.94Å; S5-D9 VanDerWaalsContact C-OD2 3.29Å; S5-D9 WeakPolarHBondContact CA-OD2 3.5Å; S5-D9 WeakPolarHBondContact CB-OD2 3.2Å
6	S	71.1	Confident	72.3	Confident	27 Å²	27	92.1 Å²	92.1	19%	0.189	50%	0.499	C	S	.	.			trans	-56.7	149.2	172	175.1	0	0	0	0	108.8	T4 C8 D9 E26	T4-S6 PolarHBondContact O-N 2.82Å; S6-C8 PolarHBondContact O-N 2.65Å; S6-C8 PolarHBondContact OG-N 3.38Å; S6-D9 WeakPolarHBondContact CB-OD1 3.37Å; S6-D9 VanDerWaalsContact N-CG 3.33Å; S6-D9 PolarHBondContact N-OD2 3.39Å; S6-D9 PolarHBondContact O-N 3.3Å; S6-D9 VanDerWaalsContact O-N 3.15Å; S6-E26 WeakPolarHBondContact OG-CG 3.47Å; S6-E26 PolarHBondContact OG-OE1 3.46Å
7	C	76	Confident	73.6	Confident	69 Å²	69	88.5 Å²	88.5	47%	0.466	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-10.3	173.8	61.9	0	0	0	0	112.5	R19	C7-R19 PolarHBondContact O-NH1 3.37Å
8	C	81	Confident	74.8	Confident	4 Å²	4	89.1 Å²	89.1	3%	0.027	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-7.8	-179.3	-65.4	0	0	0	0	115.1	S6 N10 L11 I16 I30	S6-C8 PolarHBondContact O-N 2.65Å; S6-C8 PolarHBondContact OG-N 3.38Å; C8-N10 PolarHBondContact O-N 3.27Å; C8-L11 PolarHBondContact O-N 2.77Å; C8-L11 VanDerWaalsContact O-N 3.12Å; C8-I16 HydrophobicContact CB-CD1 4.4Å; C8-I16 HydrophobicContact CB-CG1 4.33Å; C8-I30 HydrophobicContact CB-CD1 3.37Å
9	D	80.4	Confident	75.9	Confident	99 Å²	99	89.1 Å²	89.1	53%	0.529	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.6	-169	-78.9	-13.7	0	0	0	115.2	S5 S6	S5-D9 VanDerWaalsContact C-OD2 3.29Å; S5-D9 WeakPolarHBondContact CA-OD2 3.5Å; S5-D9 WeakPolarHBondContact CB-OD2 3.2Å; S6-D9 WeakPolarHBondContact CB-OD1 3.37Å; S6-D9 VanDerWaalsContact N-CG 3.33Å; S6-D9 PolarHBondContact N-OD2 3.39Å; S6-D9 PolarHBondContact O-N 3.3Å; S6-D9 VanDerWaalsContact O-N 3.15Å
10	N	85.9	Confident	76.9	Confident	151 Å²	151	84.7 Å²	84.7	81%	0.807	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	14.4	-177.2	-64.8	-49.2	0	0	0	113.6	C8	C8-N10 PolarHBondContact O-N 3.27Å
11	L	89.2	Confident	77.9	Confident	42 Å²	42	87.1 Å²	87.1	22%	0.22	46%	0.456	C	S	.	.			trans	-98.2	145.7	-178.7	-60.9	178.9	0	0	0	111.1	C8 E15 I16	C8-L11 PolarHBondContact O-N 2.77Å; C8-L11 VanDerWaalsContact O-N 3.12Å; L11-E15 HydrophobicContact CB-CB 4.02Å; L11-E15 HydrophobicContact CD2-CB 4.28Å; L11-I16 HydrophobicContact CB-CD1 4.23Å; L11-I16 HydrophobicContact CB-CG1 3.61Å; L11-I16 HydrophobicContact CD1-CG1 4.23Å
12	S	92	Very high	80.7	Confident	57 Å²	57	84.3 Å²	84.3	40%	0.399	44%	0.438	S	S	.	.			trans	-65.8	158.7	165	64.2	0	0	0	0	110.9	D14 E15 I16	S12-D14 PolarHBondContact O-N 3.28Å; S12-E15 WeakPolarHBondContact CB-OE2 3.41Å; S12-E15 PolarHBondContact N-OE2 3.27Å; S12-E15 PolarHBondContact O-N 3.13Å; S12-E15 VanDerWaalsContact O-N 3.14Å; S12-E15 VanDerWaalsContact OG-CG 3.3Å; S12-E15 WeakPolarHBondContact OG-CG 3.25Å; S12-E15 PolarHBondContact OG-N 2.89Å; S12-E15 PolarHBondContact OG-OE2 3.47Å; S12-I16 WeakPolarHBondContact O-CG1 3.3Å; S12-I16 PolarHBondContact O-N 2.94Å
13	I	90.6	Very high	83.5	Confident	49 Å²	49	78.3 Å²	78.3	25%	0.251	42%	0.415	S	S	.	.	H	α-helix	trans	-57.7	-36	178.5	-171.2	59.5	0	0	0	112.3	I16 I17 Y34	I13-I16 PolarHBondContact O-N 3.34Å; I13-I17 HydrophobicContact CG1-CD1 4.14Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.35Å; I13-I17 PolarHBondContact O-N 2.9Å; I13-Y34 HydrophobicContact CD1-CD1 3.86Å; I13-Y34 HydrophobicContact CD1-CD2 3.95Å; I13-Y34 HydrophobicContact CD1-CE1 4.29Å; I13-Y34 HydrophobicContact CD1-CE2 4.37Å; I13-Y34 HydrophobicContact CD1-CG 3.68Å; I13-Y34 HydrophobicContact CG1-CD1 4.08Å; I13-Y34 HydrophobicContact CG1-CD2 4.35Å; I13-Y34 HydrophobicContact CG1-CE1 3.99Å; I13-Y34 HydrophobicContact CG1-CE2 4.27Å; I13-Y34 HydrophobicContact CG1-CG 4.26Å
14	D	93.6	Very high	86.3	Confident	121 Å²	121	72.1 Å²	72.1	65%	0.647	39%	0.39	S	S	*	.	H	α-helix	trans	-66.4	-40.5	178.6	-64.8	-25.9	0	0	0	111.8	S12 I16 I17 E18	S12-D14 PolarHBondContact O-N 3.28Å; D14-I16 VanDerWaalsContact C-N 3.34Å; D14-I17 PolarHBondContact O-N 2.71Å; D14-E18 PolarHBondContact O-N 3.14Å
15	E	94.9	Very high	88.8	Confident	89 Å²	89	67.7 Å²	67.7	42%	0.416	36%	0.364	S	S	.	.	H	α-helix	trans	-67.5	-34.6	175	-71.4	166.5	132.1	0	0	112.1	L11 S12 R19	L11-E15 HydrophobicContact CB-CB 4.02Å; L11-E15 HydrophobicContact CD2-CB 4.28Å; S12-E15 WeakPolarHBondContact CB-OE2 3.41Å; S12-E15 PolarHBondContact N-OE2 3.27Å; S12-E15 PolarHBondContact O-N 3.13Å; S12-E15 VanDerWaalsContact O-N 3.14Å; S12-E15 VanDerWaalsContact OG-CG 3.3Å; S12-E15 WeakPolarHBondContact OG-CG 3.25Å; S12-E15 PolarHBondContact OG-N 2.89Å; S12-E15 PolarHBondContact OG-OE2 3.47Å; E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 2.98Å; E15-R19 VanDerWaalsContact O-N 3.14Å
16	I	94.3	Very high	90.8	Very high	13 Å²	13	66.7 Å²	66.7	7%	0.067	35%	0.35	C	S	.	.	H	α-helix	trans	-68.4	-42.2	174.7	-59.6	169.5	0	0	0	109.7	C8 L11 S12 I13 D14 E18 R19 A20 A27 I30 V31	C8-I16 HydrophobicContact CB-CD1 4.4Å; C8-I16 HydrophobicContact CB-CG1 4.33Å; L11-I16 HydrophobicContact CB-CD1 4.23Å; L11-I16 HydrophobicContact CB-CG1 3.61Å; L11-I16 HydrophobicContact CD1-CG1 4.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.3Å; S12-I16 PolarHBondContact O-N 2.94Å; I13-I16 PolarHBondContact O-N 3.34Å; D14-I16 VanDerWaalsContact C-N 3.34Å; I16-E18 VanDerWaalsContact C-N 3.35Å; I16-E18 PolarHBondContact O-N 2.95Å; I16-R19 PolarHBondContact O-N 3.49Å; I16-A20 WeakPolarHBondContact O-CB 3.47Å; I16-A20 PolarHBondContact O-N 3.15Å; I16-A27 HydrophobicContact CG2-CB 3.85Å; I16-I30 HydrophobicContact CD1-CG2 4.1Å; I16-I30 HydrophobicContact CG2-CB 4.15Å; I16-I30 HydrophobicContact CG2-CG2 4.02Å; I16-V31 HydrophobicContact CB-CG2 4.47Å; I16-V31 HydrophobicContact CG2-CG2 3.74Å
17	I	95	Very high	91.9	Very high	31 Å²	31	65.4 Å²	65.4	16%	0.159	34%	0.341	C	S	.	.	H	α-helix	trans	-58.9	-46.2	174.7	-69.9	165.4	0	0	0	110.5	I13 D14 R19 A20 E21 V31	I13-I17 HydrophobicContact CG1-CD1 4.14Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.35Å; I13-I17 PolarHBondContact O-N 2.9Å; D14-I17 PolarHBondContact O-N 2.71Å; I17-R19 VanDerWaalsContact C-N 3.27Å; I17-R19 PolarHBondContact O-N 3.31Å; I17-A20 WeakPolarHBondContact O-CB 3.33Å; I17-A20 PolarHBondContact O-N 2.97Å; I17-A20 VanDerWaalsContact O-N 3.12Å; I17-E21 HydrophobicContact CG2-CG 4.42Å; I17-E21 WeakPolarHBondContact O-CG 3.23Å; I17-E21 PolarHBondContact O-N 3.42Å; I17-V31 HydrophobicContact CG1-CG1 4.1Å; I17-V31 HydrophobicContact CG1-CG2 3.81Å
18	E	96	Very high	93	Very high	98 Å²	98	62.6 Å²	62.6	46%	0.458	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-36.9	178.2	-165.3	-168.2	161.7	0	0	112.2	D14 I16 K22	D14-E18 PolarHBondContact O-N 3.14Å; I16-E18 VanDerWaalsContact C-N 3.35Å; I16-E18 PolarHBondContact O-N 2.95Å; E18-K22 WeakPolarHBondContact O-CG 3.26Å; E18-K22 PolarHBondContact O-N 2.99Å; E18-K22 WeakPolarHBondContact OE1-CE 3.26Å; E18-K22 IonicContact OE1-NZ 3.49Å; E18-K22 PolarHBondContact OE1-NZ 3.27Å
19	R	95.4	Very high	93.7	Very high	90 Å²	90	64.1 Å²	64.1	34%	0.34	33%	0.326	S	S	.	.	H	α-helix	trans	-70.5	-41.1	174	-74.4	-169.7	178.5	-173.9	8.3	112.7	C7 E15 I16 I17 E21 K22 G23 D24 A27	C7-R19 PolarHBondContact O-NH1 3.37Å; E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 2.98Å; E15-R19 VanDerWaalsContact O-N 3.14Å; I16-R19 PolarHBondContact O-N 3.49Å; I17-R19 VanDerWaalsContact C-N 3.27Å; I17-R19 PolarHBondContact O-N 3.31Å; R19-E21 VanDerWaalsContact C-N 3.28Å; R19-E21 PolarHBondContact O-N 3.31Å; R19-K22 CarbonylContact O-C 3.53Å; R19-K22 WeakPolarHBondContact O-CA 3.31Å; R19-K22 WeakPolarHBondContact O-CB 3.37Å; R19-K22 PolarHBondContact O-N 3.28Å; R19-G23 PolarHBondContact O-N 3.46Å; R19-D24 HydrophobicContact CB-CB 4.05Å; R19-D24 WeakPolarHBondContact O-CB 3.32Å; R19-D24 PolarHBondContact O-N 2.84Å; R19-D24 VanDerWaalsContact O-N 3.07Å; R19-A27 HydrophobicContact CB-CB 3.75Å
20	A	96.2	Very high	94.4	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-41.4	177.4	0	0	0	0	0	111	I16 I17 K22 G23 A27 Q28 V31 W52	I16-A20 WeakPolarHBondContact O-CB 3.47Å; I16-A20 PolarHBondContact O-N 3.15Å; I17-A20 WeakPolarHBondContact O-CB 3.33Å; I17-A20 PolarHBondContact O-N 2.97Å; I17-A20 VanDerWaalsContact O-N 3.12Å; A20-K22 VanDerWaalsContact C-N 3.29Å; A20-K22 PolarHBondContact O-N 2.98Å; A20-G23 PolarHBondContact O-N 3.3Å; A20-A27 HydrophobicContact CB-CB 3.99Å; A20-Q28 HydrophobicContact CB-CB 4.43Å; A20-Q28 HydrophobicContact CB-CG 3.81Å; A20-Q28 WeakPolarHBondContact O-CG 3.37Å; A20-Q28 PolarHBondContact O-NE2 3.49Å; A20-Q28 VanDerWaalsContact O-NE2 3.09Å; A20-V31 HydrophobicContact CB-CG2 3.98Å; A20-W52 HydrophobicContact CB-CE3 4.05Å; A20-W52 HydrophobicContact CB-CH2 3.9Å; A20-W52 HydrophobicContact CB-CZ3 3.63Å
21	E	96.4	Very high	94.9	Very high	136 Å²	136	54.2 Å²	54.2	64%	0.636	27%	0.273	S	S	*	.	H	α-helix	trans	-63.2	-31.8	173.5	-72	178.5	171.3	0	0	112.9	I17 R19 G23 W52	I17-E21 HydrophobicContact CG2-CG 4.42Å; I17-E21 WeakPolarHBondContact O-CG 3.23Å; I17-E21 PolarHBondContact O-N 3.42Å; R19-E21 VanDerWaalsContact C-N 3.28Å; R19-E21 PolarHBondContact O-N 3.31Å; E21-G23 PolarHBondContact O-N 3.02Å; E21-W52 HydrophobicContact CG-CH2 3.78Å; E21-W52 HydrophobicContact CG-CZ2 4.32Å
22	K	96.4	Very high	95.2	Very high	151 Å²	151	52.2 Å²	52.2	66%	0.657	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	1.5	173.5	-70	171	-172	167.9	0	113.8	E18 R19 A20	E18-K22 WeakPolarHBondContact O-CG 3.26Å; E18-K22 PolarHBondContact O-N 2.99Å; E18-K22 WeakPolarHBondContact OE1-CE 3.26Å; E18-K22 IonicContact OE1-NZ 3.49Å; E18-K22 PolarHBondContact OE1-NZ 3.27Å; R19-K22 CarbonylContact O-C 3.53Å; R19-K22 WeakPolarHBondContact O-CA 3.31Å; R19-K22 WeakPolarHBondContact O-CB 3.37Å; R19-K22 PolarHBondContact O-N 3.28Å; A20-K22 VanDerWaalsContact C-N 3.29Å; A20-K22 PolarHBondContact O-N 2.98Å
23	G	94.5	Very high	95.3	Very high	30 Å²	30	54.7 Å²	54.7	31%	0.309	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	6.4	175.8	0	0	0	0	0	115.1	R19 A20 E21 C25 Q59	R19-G23 PolarHBondContact O-N 3.46Å; A20-G23 PolarHBondContact O-N 3.3Å; E21-G23 PolarHBondContact O-N 3.02Å; G23-C25 PolarHBondContact O-N 3.48Å; G23-C25 VanDerWaalsContact O-N 3.1Å; G23-Q59 PolarHBondContact O-NE2 2.94Å; G23-Q59 VanDerWaalsContact O-NE2 3.12Å; G23-Q59 PolarHBondContact O-OE1 3.05Å
24	D	95.6	Very high	95.4	Very high	51 Å²	51	58.4 Å²	58.4	27%	0.273	28%	0.278	S	S	.	.			trans	-65.4	112.4	176.9	-173.9	-55.9	0	0	0	110.2	R19 E26 A27 Q28	R19-D24 HydrophobicContact CB-CB 4.05Å; R19-D24 WeakPolarHBondContact O-CB 3.32Å; R19-D24 PolarHBondContact O-N 2.84Å; R19-D24 VanDerWaalsContact O-N 3.07Å; D24-E26 PolarHBondContact O-N 3.16Å; D24-E26 PolarHBondContact OD1-N 3.08Å; D24-E26 VanDerWaalsContact OD1-N 3.1Å; D24-A27 HydrophobicContact CB-CB 3.84Å; D24-A27 PolarHBondContact O-N 3.37Å; D24-A27 PolarHBondContact OD1-N 2.93Å; D24-Q28 VanDerWaalsContact O-CG 3.25Å; D24-Q28 WeakPolarHBondContact O-CG 3.44Å; D24-Q28 PolarHBondContact O-N 3.11Å
25	C	95.9	Very high	95.4	Very high	29 Å²	29	54.7 Å²	54.7	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-38.9	-173.2	-174.7	0	0	0	0	113.6	G23 Q28 Y29 Q59	G23-C25 PolarHBondContact O-N 3.48Å; G23-C25 VanDerWaalsContact O-N 3.1Å; C25-Q28 PolarHBondContact O-N 3.36Å; C25-Y29 PolarHBondContact O-N 3.37Å; C25-Y29 VanDerWaalsContact O-N 3.1Å; C25-Q59 HydrophobicContact CB-CB 4.19Å; C25-Q59 WeakPolarHBondContact SG-CB 3.44Å
26	E	95.5	Very high	95.2	Very high	63 Å²	63	52.8 Å²	52.8	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-69.6	-44.4	177.7	179.5	68.2	-161.6	0	0	109.9	S6 D24 Q28 Y29 I30 H61	S6-E26 WeakPolarHBondContact OG-CG 3.47Å; S6-E26 PolarHBondContact OG-OE1 3.46Å; D24-E26 PolarHBondContact O-N 3.16Å; D24-E26 PolarHBondContact OD1-N 3.08Å; D24-E26 VanDerWaalsContact OD1-N 3.1Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 2.88Å; E26-Y29 PolarHBondContact O-N 2.95Å; E26-I30 HydrophobicContact CG-CD1 3.98Å; E26-I30 WeakPolarHBondContact O-CG1 3.27Å; E26-I30 PolarHBondContact O-N 3.05Å; E26-H61 IonicContact OE2-CD2 2.94Å; E26-H61 IonicContact OE2-NE2 2.82Å; E26-H61 PolarHBondContact OE2-NE2 3.48Å; E26-H61 VanDerWaalsContact OE2-NE2 3.13Å
27	A	96.1	Very high	94.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-40.8	175.7	0	0	0	0	0	111.8	I16 R19 A20 D24 I30 V31	I16-A27 HydrophobicContact CG2-CB 3.85Å; R19-A27 HydrophobicContact CB-CB 3.75Å; A20-A27 HydrophobicContact CB-CB 3.99Å; D24-A27 HydrophobicContact CB-CB 3.84Å; D24-A27 PolarHBondContact O-N 3.37Å; D24-A27 PolarHBondContact OD1-N 2.93Å; A27-I30 PolarHBondContact O-N 3.4Å; A27-V31 WeakPolarHBondContact O-CB 3.22Å; A27-V31 WeakPolarHBondContact O-CG2 3.48Å; A27-V31 PolarHBondContact O-N 2.96Å
28	Q	97.8	Very high	94.3	Very high	10 Å²	10	66.2 Å²	66.2	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-45.3	174.6	-71.5	173.8	-3.5	0	0	112	A20 D24 C25 E26 V31 G32 W52 L55 A56	A20-Q28 HydrophobicContact CB-CB 4.43Å; A20-Q28 HydrophobicContact CB-CG 3.81Å; A20-Q28 WeakPolarHBondContact O-CG 3.37Å; A20-Q28 PolarHBondContact O-NE2 3.49Å; A20-Q28 VanDerWaalsContact O-NE2 3.09Å; D24-Q28 VanDerWaalsContact O-CG 3.25Å; D24-Q28 WeakPolarHBondContact O-CG 3.44Å; D24-Q28 PolarHBondContact O-N 3.11Å; C25-Q28 PolarHBondContact O-N 3.36Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 2.88Å; Q28-V31 PolarHBondContact O-N 3.46Å; Q28-G32 PolarHBondContact O-N 3.28Å; Q28-W52 HydrophobicContact CB-CE3 4.17Å; Q28-W52 HydrophobicContact CG-CE3 3.75Å; Q28-W52 HydrophobicContact CG-CZ3 3.87Å; Q28-W52 WeakPolarHBondContact O-CB 3.19Å; Q28-L55 VanDerWaalsContact OE1-C 3.31Å; Q28-L55 VanDerWaalsContact OE1-CB 3.31Å; Q28-A56 HydrophobicContact CB-CB 3.88Å
29	Y	96.5	Very high	93.8	Very high	36 Å²	36	63 Å²	63	14%	0.141	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-46.8	175.1	167.1	-112.3	0	0	0	111.6	C25 E26 V31 G32 F33 L53 H61 E63 A64	C25-Y29 PolarHBondContact O-N 3.37Å; C25-Y29 VanDerWaalsContact O-N 3.1Å; E26-Y29 PolarHBondContact O-N 2.95Å; Y29-V31 PolarHBondContact O-N 3.15Å; Y29-G32 PolarHBondContact O-N 2.89Å; Y29-F33 WeakPolarHBondContact O-CB 3.36Å; Y29-F33 PolarHBondContact O-N 3.32Å; Y29-L53 HydrophobicContact CD2-CD2 3.87Å; Y29-L53 HydrophobicContact CE2-CD2 4.27Å; Y29-H61 AromaticContact CD1-CE1 3.42Å; Y29-H61 VanDerWaalsContact CD1-CE1 3.42Å; Y29-H61 WeakPolarHBondContact CD1-CE1 3.47Å; Y29-H61 AromaticContact CD1-NE2 3.58Å; Y29-H61 AromaticContact CG-CE1 3.45Å; Y29-H61 VanDerWaalsContact CG-CE1 3.45Å; Y29-H61 AromaticContact CG-NE2 3.65Å; Y29-E63 HydrophobicContact CD2-CB 4.22Å; Y29-E63 HydrophobicContact CE1-CB 4.1Å; Y29-E63 HydrophobicContact CE2-CB 3.61Å; Y29-A64 HydrophobicContact CD2-CB 3.89Å
30	I	95	Very high	93.6	Very high	41 Å²	41	62 Å²	62	21%	0.21	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-43	-179.9	-67.2	166.5	0	0	0	111.3	C8 I16 E26 A27 F33 Y34	C8-I30 HydrophobicContact CB-CD1 3.37Å; I16-I30 HydrophobicContact CD1-CG2 4.1Å; I16-I30 HydrophobicContact CG2-CB 4.15Å; I16-I30 HydrophobicContact CG2-CG2 4.02Å; E26-I30 HydrophobicContact CG-CD1 3.98Å; E26-I30 WeakPolarHBondContact O-CG1 3.27Å; E26-I30 PolarHBondContact O-N 3.05Å; A27-I30 PolarHBondContact O-N 3.4Å; I30-F33 PolarHBondContact O-N 3.36Å; I30-Y34 VanDerWaalsContact O-CB 3.31Å; I30-Y34 WeakPolarHBondContact O-CB 3.39Å; I30-Y34 PolarHBondContact O-N 3.48Å
31	V	95.9	Very high	93.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-41.9	176.4	176.6	0	0	0	0	110.7	I16 I17 A20 A27 Q28 Y29 Y34 Y35 W52	I16-V31 HydrophobicContact CB-CG2 4.47Å; I16-V31 HydrophobicContact CG2-CG2 3.74Å; I17-V31 HydrophobicContact CG1-CG1 4.1Å; I17-V31 HydrophobicContact CG1-CG2 3.81Å; A20-V31 HydrophobicContact CB-CG2 3.98Å; A27-V31 WeakPolarHBondContact O-CB 3.22Å; A27-V31 WeakPolarHBondContact O-CG2 3.48Å; A27-V31 PolarHBondContact O-N 2.96Å; Q28-V31 PolarHBondContact O-N 3.46Å; Y29-V31 PolarHBondContact O-N 3.15Å; V31-Y34 PolarHBondContact O-N 3.29Å; V31-Y35 HydrophobicContact CG1-CD2 3.66Å; V31-Y35 HydrophobicContact CG1-CE2 3.41Å; V31-Y35 VanDerWaalsContact CG1-CE2 3.41Å; V31-Y35 VanDerWaalsContact O-CD2 3.23Å; V31-Y35 WeakPolarHBondContact O-CD2 3.34Å; V31-Y35 PolarHBondContact O-N 3.01Å; V31-W52 HydrophobicContact CB-CD2 4.43Å; V31-W52 HydrophobicContact CB-CG 4.22Å; V31-W52 HydrophobicContact CG1-CB 4.5Å; V31-W52 HydrophobicContact CG1-CD2 4Å; V31-W52 HydrophobicContact CG1-CG 3.75Å
32	G	95.8	Very high	93.1	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-47.1	174.6	0	0	0	0	0	112.5	Q28 Y29 Y35 N36 A49	Q28-G32 PolarHBondContact O-N 3.28Å; Y29-G32 PolarHBondContact O-N 2.89Å; G32-Y35 PolarHBondContact O-N 3.27Å; G32-N36 WeakPolarHBondContact O-CB 3.48Å; G32-N36 PolarHBondContact O-N 2.94Å; G32-A49 VanDerWaalsContact O-CB 3.27Å; G32-A49 WeakPolarHBondContact O-CB 3.49Å
33	F	93.3	Very high	93	Very high	110 Å²	110	56 Å²	56	48%	0.482	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-40.8	176.1	-175.7	-94.1	0	0	0	112.4	Y29 I30 N36 R37	Y29-F33 WeakPolarHBondContact O-CB 3.36Å; Y29-F33 PolarHBondContact O-N 3.32Å; I30-F33 PolarHBondContact O-N 3.36Å; F33-N36 PolarHBondContact O-N 3.46Å; F33-R37 PolarHBondContact O-N 2.81Å
34	Y	93.2	Very high	93.1	Very high	127 Å²	127	59.4 Å²	59.4	50%	0.498	30%	0.303	S	S	.	.	H	α-helix	trans	-58.5	-49.1	176.9	174	-97.3	0	0	0	111.6	I13 I30 V31 N36 R37	I13-Y34 HydrophobicContact CD1-CD1 3.86Å; I13-Y34 HydrophobicContact CD1-CD2 3.95Å; I13-Y34 HydrophobicContact CD1-CE1 4.29Å; I13-Y34 HydrophobicContact CD1-CE2 4.37Å; I13-Y34 HydrophobicContact CD1-CG 3.68Å; I13-Y34 HydrophobicContact CG1-CD1 4.08Å; I13-Y34 HydrophobicContact CG1-CD2 4.35Å; I13-Y34 HydrophobicContact CG1-CE1 3.99Å; I13-Y34 HydrophobicContact CG1-CE2 4.27Å; I13-Y34 HydrophobicContact CG1-CG 4.26Å; I30-Y34 VanDerWaalsContact O-CB 3.31Å; I30-Y34 WeakPolarHBondContact O-CB 3.39Å; I30-Y34 PolarHBondContact O-N 3.48Å; V31-Y34 PolarHBondContact O-N 3.29Å; Y34-N36 VanDerWaalsContact C-N 3.33Å; Y34-R37 PolarHBondContact O-N 3.01Å
35	Y	93.7	Very high	93	Very high	43 Å²	43	60.3 Å²	60.3	17%	0.169	31%	0.308	C	S	.	.	H	α-helix	trans	-70.5	-28.9	177.9	-74.8	-58.9	0	0	0	113.2	V31 G32 R37 S39 D45 K48 W52	V31-Y35 HydrophobicContact CG1-CD2 3.66Å; V31-Y35 HydrophobicContact CG1-CE2 3.41Å; V31-Y35 VanDerWaalsContact CG1-CE2 3.41Å; V31-Y35 VanDerWaalsContact O-CD2 3.23Å; V31-Y35 WeakPolarHBondContact O-CD2 3.34Å; V31-Y35 PolarHBondContact O-N 3.01Å; G32-Y35 PolarHBondContact O-N 3.27Å; Y35-R37 VanDerWaalsContact C-N 3.3Å; Y35-R37 PolarHBondContact O-N 3.4Å; Y35-S39 WeakPolarHBondContact O-CB 3.44Å; Y35-D45 WeakPolarHBondContact CB-O 3.39Å; Y35-D45 HydrophobicContact CD1-CB 4.12Å; Y35-K48 HydrophobicContact CD1-CB 4.27Å; Y35-K48 HydrophobicContact CD1-CD 3.96Å; Y35-K48 HydrophobicContact CD2-CB 3.6Å; Y35-K48 HydrophobicContact CD2-CD 4.23Å; Y35-K48 HydrophobicContact CE1-CD 3.62Å; Y35-K48 HydrophobicContact CE2-CB 3.94Å; Y35-K48 HydrophobicContact CE2-CD 3.87Å; Y35-K48 HydrophobicContact CE2-CG 4.49Å; Y35-K48 HydrophobicContact CG-CB 3.79Å; Y35-K48 HydrophobicContact CG-CD 4.27Å; Y35-W52 AromaticContact CD2-CD1 3.88Å; Y35-W52 AromaticContact CE2-CD1 3.97Å; Y35-W52 AromaticContact CE2-NE1 3.87Å
36	N	89.9	Confident	93	Very high	49 Å²	49	58.9 Å²	58.9	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-67	-34.4	178.5	-173	39.7	0	0	0	112	G32 F33 Y34 D38 S39 A49 K71	G32-N36 WeakPolarHBondContact O-CB 3.48Å; G32-N36 PolarHBondContact O-N 2.94Å; F33-N36 PolarHBondContact O-N 3.46Å; Y34-N36 VanDerWaalsContact C-N 3.33Å; N36-D38 PolarHBondContact O-N 3.39Å; N36-D38 VanDerWaalsContact O-N 3.16Å; N36-S39 PolarHBondContact O-N 3.46Å; N36-S39 VanDerWaalsContact O-N 3.12Å; N36-S39 PolarHBondContact O-OG 3.09Å; N36-A49 HydrophobicContact CB-CB 3.85Å; N36-K71 WeakPolarHBondContact OD1-CE 3.43Å; N36-K71 PolarHBondContact OD1-NZ 3.38Å
37	R	86	Confident	93	Very high	179 Å²	179	57.6 Å²	57.6	68%	0.675	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	120.1	-174.3	179.4	178.7	164.5	176.6	-2.5	110.9	F33 Y34 Y35 S39	F33-R37 PolarHBondContact O-N 2.81Å; Y34-R37 PolarHBondContact O-N 3.01Å; Y35-R37 VanDerWaalsContact C-N 3.3Å; Y35-R37 PolarHBondContact O-N 3.4Å; R37-S39 PolarHBondContact O-N 3.42Å
38	D	84.6	Confident	93	Very high	147 Å²	147	61.6 Å²	61.6	79%	0.786	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	13	178.2	-52.3	-45.5	0	0	0	114.5	N36	N36-D38 PolarHBondContact O-N 3.39Å; N36-D38 VanDerWaalsContact O-N 3.16Å
39	S	86.1	Confident	92.9	Very high	30 Å²	30	61.1 Å²	61.1	21%	0.21	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-71.2	139.4	177	65.3	0	0	0	0	111.3	Y35 N36 R37	Y35-S39 WeakPolarHBondContact O-CB 3.44Å; N36-S39 PolarHBondContact O-N 3.46Å; N36-S39 VanDerWaalsContact O-N 3.12Å; N36-S39 PolarHBondContact O-OG 3.09Å; R37-S39 PolarHBondContact O-N 3.42Å
40	A	91.9	Very high	93	Very high	69 Å²	69	60.3 Å²	60.3	57%	0.57	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-75.5	144.5	168.9	0	0	0	0	0	109.5	D42 S43 D46	A40-D42 PolarHBondContact O-N 2.89Å; A40-S43 WeakPolarHBondContact O-CB 3.39Å; A40-S43 PolarHBondContact O-N 3.07Å; A40-S43 PolarHBondContact O-OG 3.04Å; A40-D46 WeakPolarHBondContact O-CB 3.47Å
41	I	90.6	Very high	93.1	Very high	78 Å²	78	64.6 Å²	64.6	40%	0.4	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	132.4	175.9	-60.9	177	0	0	0	110.3	S43 K76	I41-S43 PolarHBondContact O-N 3.38Å; I41-S43 VanDerWaalsContact O-N 3.14Å; I41-K76 HydrophobicContact CD1-CB 4.04Å
42	D	91.3	Very high	93.2	Very high	57 Å²	57	65.7 Å²	65.7	31%	0.305	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	15	179.8	-55.7	-20.4	0	0	0	114.7	A40 D46 S77 R78	A40-D42 PolarHBondContact O-N 2.89Å; D42-D46 PolarHBondContact N-OD2 3.29Å; D42-S77 WeakPolarHBondContact OD1-CA 3.35Å; D42-S77 PolarHBondContact OD1-OG 2.8Å; D42-R78 WeakPolarHBondContact OD1-CG 3.29Å; D42-R78 PolarHBondContact OD1-N 2.93Å; D42-R78 PolarHBondContact OD2-N 3.39Å; D42-R78 VanDerWaalsContact OD2-N 3.1Å
43	S	94.6	Very high	93.3	Very high	26 Å²	26	65.8 Å²	65.8	18%	0.182	32%	0.324	C	S	.	.			trans	-70.3	160.8	172.6	70.1	0	0	0	0	111.7	A40 I41 D45 D46 E47	A40-S43 WeakPolarHBondContact O-CB 3.39Å; A40-S43 PolarHBondContact O-N 3.07Å; A40-S43 PolarHBondContact O-OG 3.04Å; I41-S43 PolarHBondContact O-N 3.38Å; I41-S43 VanDerWaalsContact O-N 3.14Å; S43-D45 PolarHBondContact O-N 3.38Å; S43-D45 VanDerWaalsContact O-N 3.1Å; S43-D46 WeakPolarHBondContact O-CB 3.26Å; S43-D46 PolarHBondContact O-N 3.37Å; S43-D46 PolarHBondContact OG-N 3.45Å; S43-E47 WeakPolarHBondContact O-CG 3.37Å; S43-E47 PolarHBondContact O-N 3.48Å
44	P	95.2	Very high	93.6	Very high	102 Å²	102	64.1 Å²	64.1	66%	0.662	32%	0.317	S	S	*	.	H	α-helix	trans	-54.9	-31	176.9	-28.3	36.2	0	0	0	114.6	K48	P44-K48 WeakPolarHBondContact O-CG 3Å; P44-K48 PolarHBondContact O-N 2.89Å
45	D	94.9	Very high	93.8	Very high	70 Å²	70	60.2 Å²	60.2	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-80.4	-37.6	176.6	-69.5	-26.7	0	0	0	111.6	Y35 S43 E47 K48 A49	Y35-D45 WeakPolarHBondContact CB-O 3.39Å; Y35-D45 HydrophobicContact CD1-CB 4.12Å; S43-D45 PolarHBondContact O-N 3.38Å; S43-D45 VanDerWaalsContact O-N 3.1Å; D45-E47 PolarHBondContact O-N 2.97Å; D45-K48 PolarHBondContact O-N 3.17Å; D45-K48 VanDerWaalsContact O-N 3.13Å; D45-K48 IonicContact OD1-NZ 2.64Å; D45-K48 PolarHBondContact OD1-NZ 3.49Å; D45-A49 WeakPolarHBondContact O-CB 3.38Å; D45-A49 PolarHBondContact O-N 2.89Å
46	D	95	Very high	94	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.1	-37.1	170.6	-174	40.6	0	0	0	111.9	A40 D42 S43 A49 F50 K71	A40-D46 WeakPolarHBondContact O-CB 3.47Å; D42-D46 PolarHBondContact N-OD2 3.29Å; S43-D46 WeakPolarHBondContact O-CB 3.26Å; S43-D46 PolarHBondContact O-N 3.37Å; S43-D46 PolarHBondContact OG-N 3.45Å; D46-A49 VanDerWaalsContact O-CB 3.32Å; D46-A49 WeakPolarHBondContact O-CB 3.14Å; D46-A49 PolarHBondContact O-N 2.92Å; D46-F50 WeakPolarHBondContact O-CB 3.4Å; D46-F50 PolarHBondContact O-N 2.87Å; D46-K71 VanDerWaalsContact OD1-CE 3.26Å; D46-K71 WeakPolarHBondContact OD1-CE 3.34Å; D46-K71 IonicContact OD1-NZ 2.67Å; D46-K71 PolarHBondContact OD1-NZ 3.29Å
47	E	96.2	Very high	94.4	Very high	36 Å²	36	55.8 Å²	55.8	17%	0.168	28%	0.283	C	S	.	.	H	α-helix	trans	-71	-36.8	176.3	-68.8	-55	148.2	0	0	114.3	S43 D45 A49 Y51 R78 H79	S43-E47 WeakPolarHBondContact O-CG 3.37Å; S43-E47 PolarHBondContact O-N 3.48Å; D45-E47 PolarHBondContact O-N 2.97Å; E47-A49 VanDerWaalsContact C-N 3.31Å; E47-Y51 WeakPolarHBondContact O-CB 3.38Å; E47-Y51 PolarHBondContact O-N 3.03Å; E47-R78 IonicContact OE1-CZ 3.53Å; E47-R78 IonicContact OE1-NE 3.73Å; E47-R78 PolarHBondContact OE1-NE 3.28Å; E47-R78 IonicContact OE1-NH2 3.13Å; E47-R78 PolarHBondContact OE1-NH2 3.17Å; E47-R78 VanDerWaalsContact OE1-NH2 3.16Å; E47-R78 IonicContact OE2-CZ 3.48Å; E47-R78 IonicContact OE2-NE 3Å; E47-R78 PolarHBondContact OE2-NE 3.17Å; E47-R78 IonicContact OE2-NH2 3.95Å; E47-R78 PolarHBondContact OE2-NH2 3.43Å; E47-H79 VanDerWaalsContact CD-NE2 3.26Å; E47-H79 IonicContact OE1-CD2 3.72Å; E47-H79 IonicContact OE1-CE1 3.48Å; E47-H79 IonicContact OE1-NE2 3.43Å; E47-H79 PolarHBondContact OE1-NE2 3.24Å; E47-H79 IonicContact OE2-CE1 3.12Å; E47-H79 PolarHBondContact OE2-CE1 2.89Å; E47-H79 IonicContact OE2-NE2 2.94Å; E47-H79 PolarHBondContact OE2-NE2 2.99Å
48	K	95.8	Very high	95	Very high	84 Å²	84	52.6 Å²	52.6	37%	0.365	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-41.6	169.5	-69.2	173.8	-157.9	154	0	110.3	Y35 P44 D45 Y51 W52	Y35-K48 HydrophobicContact CD1-CB 4.27Å; Y35-K48 HydrophobicContact CD1-CD 3.96Å; Y35-K48 HydrophobicContact CD2-CB 3.6Å; Y35-K48 HydrophobicContact CD2-CD 4.23Å; Y35-K48 HydrophobicContact CE1-CD 3.62Å; Y35-K48 HydrophobicContact CE2-CB 3.94Å; Y35-K48 HydrophobicContact CE2-CD 3.87Å; Y35-K48 HydrophobicContact CE2-CG 4.49Å; Y35-K48 HydrophobicContact CG-CB 3.79Å; Y35-K48 HydrophobicContact CG-CD 4.27Å; P44-K48 WeakPolarHBondContact O-CG 3Å; P44-K48 PolarHBondContact O-N 2.89Å; D45-K48 PolarHBondContact O-N 3.17Å; D45-K48 VanDerWaalsContact O-N 3.13Å; D45-K48 IonicContact OD1-NZ 2.64Å; D45-K48 PolarHBondContact OD1-NZ 3.49Å; K48-Y51 PolarHBondContact O-N 3.42Å; K48-W52 PolarHBondContact O-N 3.42Å
49	A	96.4	Very high	95.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.1	-52.1	176.6	0	0	0	0	0	110.5	G32 N36 D45 D46 E47 Y51 W52 L53	G32-A49 VanDerWaalsContact O-CB 3.27Å; G32-A49 WeakPolarHBondContact O-CB 3.49Å; N36-A49 HydrophobicContact CB-CB 3.85Å; D45-A49 WeakPolarHBondContact O-CB 3.38Å; D45-A49 PolarHBondContact O-N 2.89Å; D46-A49 VanDerWaalsContact O-CB 3.32Å; D46-A49 WeakPolarHBondContact O-CB 3.14Å; D46-A49 PolarHBondContact O-N 2.92Å; E47-A49 VanDerWaalsContact C-N 3.31Å; A49-Y51 PolarHBondContact O-N 3.43Å; A49-W52 PolarHBondContact O-N 2.88Å; A49-L53 VanDerWaalsContact O-CB 3.27Å; A49-L53 WeakPolarHBondContact O-CB 3.21Å; A49-L53 WeakPolarHBondContact O-CG 3.36Å; A49-L53 PolarHBondContact O-N 3.05Å
50	F	97.6	Very high	96.2	Very high	19 Å²	19	50.7 Å²	50.7	8%	0.083	27%	0.267	C	S	.	.	H	α-helix	trans	-56.2	-47.2	176.8	-174.8	-88.3	0	0	0	112.2	D46 K54 L68 K71 Y72 H79	D46-F50 WeakPolarHBondContact O-CB 3.4Å; D46-F50 PolarHBondContact O-N 2.87Å; F50-K54 HydrophobicContact CE1-CD 4.25Å; F50-K54 VanDerWaalsContact O-CB 3.26Å; F50-K54 WeakPolarHBondContact O-CB 3.37Å; F50-K54 PolarHBondContact O-N 3.46Å; F50-L68 HydrophobicContact CD2-CD1 3.87Å; F50-L68 HydrophobicContact CE2-CD1 3.64Å; F50-L68 HydrophobicContact CG-CD1 4.46Å; F50-L68 HydrophobicContact CZ-CD1 4.07Å; F50-K71 HydrophobicContact CD2-CB 4.05Å; F50-K71 HydrophobicContact CD2-CG 4.39Å; F50-K71 HydrophobicContact CE2-CB 4.37Å; F50-Y72 HydrophobicContact CE2-CE1 4.05Å; F50-Y72 HydrophobicContact CE2-CE2 4.2Å; F50-Y72 AromaticContact CE2-CZ 3.83Å; F50-Y72 AromaticContact CZ-CE1 3.92Å; F50-Y72 HydrophobicContact CZ-CE1 3.92Å; F50-Y72 HydrophobicContact CZ-CE2 4.28Å; F50-Y72 AromaticContact CZ-CZ 3.58Å; F50-Y72 VanDerWaalsContact CZ-OH 3.32Å; F50-Y72 WeakPolarHBondContact CZ-OH 3.31Å; F50-H79 AromaticContact CD1-CE1 3.83Å; F50-H79 AromaticContact CD1-NE2 3.95Å; F50-H79 HydrophobicContact CD2-CB 4.24Å; F50-H79 AromaticContact CD2-CD2 3.64Å; F50-H79 AromaticContact CD2-CG 3.77Å; F50-H79 AromaticContact CD2-NE2 3.98Å; F50-H79 AromaticContact CE1-CE1 3.76Å; F50-H79 AromaticContact CE1-ND1 3.78Å; F50-H79 HydrophobicContact CE2-CB 3.68Å; F50-H79 AromaticContact CE2-CD2 3.86Å; F50-H79 AromaticContact CE2-CG 3.48Å; F50-H79 VanDerWaalsContact CE2-CG 3.48Å; F50-H79 AromaticContact CE2-ND1 3.76Å; F50-H79 AromaticContact CG-CD2 3.93Å; F50-H79 AromaticContact CG-NE2 3.78Å; F50-H79 HydrophobicContact CZ-CB 4.18Å; F50-H79 AromaticContact CZ-CE1 3.94Å; F50-H79 AromaticContact CZ-CG 3.75Å; F50-H79 AromaticContact CZ-ND1 3.5Å
51	Y	97.6	Very high	96.5	Very high	130 Å²	130	48.8 Å²	48.8	51%	0.51	25%	0.246	S	C	.	.	H	α-helix	trans	-57.8	-52.2	178.2	171.8	-99.2	0	0	0	112.5	E47 K48 A49 K54 L55	E47-Y51 WeakPolarHBondContact O-CB 3.38Å; E47-Y51 PolarHBondContact O-N 3.03Å; K48-Y51 PolarHBondContact O-N 3.42Å; A49-Y51 PolarHBondContact O-N 3.43Å; Y51-K54 PolarHBondContact O-N 3.17Å; Y51-L55 HydrophobicContact CD1-CD1 4.25Å; Y51-L55 HydrophobicContact CE1-CD1 3.55Å; Y51-L55 HydrophobicContact CE2-CD1 4.21Å; Y51-L55 PolarHBondContact O-N 3.23Å; Y51-L55 VanDerWaalsContact O-N 3.11Å
52	W	97.8	Very high	96.8	Very high	24 Å²	24	46.4 Å²	46.4	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-69	-40.3	-177.1	-73.5	118.6	0	0	0	112.6	A20 E21 Q28 V31 Y35 K48 A49 K54 L55 A56	A20-W52 HydrophobicContact CB-CE3 4.05Å; A20-W52 HydrophobicContact CB-CH2 3.9Å; A20-W52 HydrophobicContact CB-CZ3 3.63Å; E21-W52 HydrophobicContact CG-CH2 3.78Å; E21-W52 HydrophobicContact CG-CZ2 4.32Å; Q28-W52 HydrophobicContact CB-CE3 4.17Å; Q28-W52 HydrophobicContact CG-CE3 3.75Å; Q28-W52 HydrophobicContact CG-CZ3 3.87Å; Q28-W52 WeakPolarHBondContact O-CB 3.19Å; V31-W52 HydrophobicContact CB-CD2 4.43Å; V31-W52 HydrophobicContact CB-CG 4.22Å; V31-W52 HydrophobicContact CG1-CB 4.5Å; V31-W52 HydrophobicContact CG1-CD2 4Å; V31-W52 HydrophobicContact CG1-CG 3.75Å; Y35-W52 AromaticContact CD2-CD1 3.88Å; Y35-W52 AromaticContact CE2-CD1 3.97Å; Y35-W52 AromaticContact CE2-NE1 3.87Å; K48-W52 PolarHBondContact O-N 3.42Å; A49-W52 PolarHBondContact O-N 2.88Å; W52-K54 VanDerWaalsContact C-N 3.28Å; W52-K54 PolarHBondContact O-N 3.28Å; W52-L55 HydrophobicContact CE3-CD1 3.84Å; W52-L55 HydrophobicContact CZ3-CD1 3.91Å; W52-L55 PolarHBondContact O-N 2.78Å; W52-A56 PolarHBondContact O-N 2.8Å; W52-A56 VanDerWaalsContact O-N 3.08Å
53	L	98.1	Very high	97.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-39.8	173.2	-71.4	174.6	0	0	0	111.4	Y29 A49 A56 A57 A64 L68	Y29-L53 HydrophobicContact CD2-CD2 3.87Å; Y29-L53 HydrophobicContact CE2-CD2 4.27Å; A49-L53 VanDerWaalsContact O-CB 3.27Å; A49-L53 WeakPolarHBondContact O-CB 3.21Å; A49-L53 WeakPolarHBondContact O-CG 3.36Å; A49-L53 PolarHBondContact O-N 3.05Å; L53-A56 PolarHBondContact O-N 3.01Å; L53-A57 WeakPolarHBondContact O-CB 3.08Å; L53-A57 PolarHBondContact O-N 2.85Å; L53-A64 HydrophobicContact CD2-CB 4.32Å; L53-L68 HydrophobicContact CB-CB 4.46Å
54	K	98.4	Very high	97.3	Very high	76 Å²	76	46.2 Å²	46.2	33%	0.33	23%	0.231	S	C	.	.	H	α-helix	trans	-62.7	-46.2	177	-174.1	172.9	177.8	176.7	0	112.3	F50 Y51 W52 A56 A57 E58 L68	F50-K54 HydrophobicContact CE1-CD 4.25Å; F50-K54 VanDerWaalsContact O-CB 3.26Å; F50-K54 WeakPolarHBondContact O-CB 3.37Å; F50-K54 PolarHBondContact O-N 3.46Å; Y51-K54 PolarHBondContact O-N 3.17Å; W52-K54 VanDerWaalsContact C-N 3.28Å; W52-K54 PolarHBondContact O-N 3.28Å; K54-A56 PolarHBondContact O-N 2.9Å; K54-A57 PolarHBondContact O-N 3.19Å; K54-E58 WeakPolarHBondContact CE-OE1 3.49Å; K54-E58 HydrophobicContact CG-CG 4.44Å; K54-E58 WeakPolarHBondContact O-CB 2.96Å; K54-E58 VanDerWaalsContact O-CG 3.28Å; K54-E58 WeakPolarHBondContact O-CG 3.43Å; K54-E58 PolarHBondContact O-N 3.01Å; K54-L68 HydrophobicContact CB-CD1 4.23Å; K54-L68 HydrophobicContact CB-CD2 4.23Å; K54-L68 HydrophobicContact CG-CD2 4.31Å
55	L	98.3	Very high	97.5	Very high	44 Å²	44	41.8 Å²	41.8	23%	0.23	20%	0.201	C	C	.	.	H	α-helix	trans	-59.3	-47.6	176.4	-70.6	177.3	0	0	0	112.1	Q28 Y51 W52 A57 E58 Q59	Q28-L55 VanDerWaalsContact OE1-C 3.31Å; Q28-L55 VanDerWaalsContact OE1-CB 3.31Å; Y51-L55 HydrophobicContact CD1-CD1 4.25Å; Y51-L55 HydrophobicContact CE1-CD1 3.55Å; Y51-L55 HydrophobicContact CE2-CD1 4.21Å; Y51-L55 PolarHBondContact O-N 3.23Å; Y51-L55 VanDerWaalsContact O-N 3.11Å; W52-L55 HydrophobicContact CE3-CD1 3.84Å; W52-L55 HydrophobicContact CZ3-CD1 3.91Å; W52-L55 PolarHBondContact O-N 2.78Å; L55-A57 PolarHBondContact O-N 3.21Å; L55-E58 PolarHBondContact O-N 3.49Å; L55-Q59 WeakPolarHBondContact O-CG 3.23Å; L55-Q59 PolarHBondContact O-N 3.5Å
56	A	98.3	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-40.7	177.9	0	0	0	0	0	112.2	Q28 W52 L53 K54 E58 Q59 G60 H61 A64	Q28-A56 HydrophobicContact CB-CB 3.88Å; W52-A56 PolarHBondContact O-N 2.8Å; W52-A56 VanDerWaalsContact O-N 3.08Å; L53-A56 PolarHBondContact O-N 3.01Å; K54-A56 PolarHBondContact O-N 2.9Å; A56-E58 PolarHBondContact O-N 3.35Å; A56-Q59 PolarHBondContact O-N 2.73Å; A56-G60 PolarHBondContact O-N 2.88Å; A56-H61 HydrophobicContact CB-CB 4.1Å; A56-H61 WeakPolarHBondContact O-CB 3.3Å; A56-H61 PolarHBondContact O-N 3.03Å; A56-H61 VanDerWaalsContact O-N 3.07Å; A56-A64 HydrophobicContact CB-CB 3.54Å
57	A	98.5	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-39.8	179	0	0	0	0	0	112.3	L53 K54 L55 Q59 G60 A64 Q65 L68 W88	L53-A57 WeakPolarHBondContact O-CB 3.08Å; L53-A57 PolarHBondContact O-N 2.85Å; K54-A57 PolarHBondContact O-N 3.19Å; L55-A57 PolarHBondContact O-N 3.21Å; A57-Q59 VanDerWaalsContact C-N 3.26Å; A57-Q59 PolarHBondContact O-N 2.94Å; A57-G60 PolarHBondContact O-N 3.42Å; A57-A64 HydrophobicContact CB-CB 4.16Å; A57-Q65 HydrophobicContact CB-CB 4.41Å; A57-Q65 HydrophobicContact CB-CG 3.77Å; A57-Q65 PolarHBondContact O-NE2 3.48Å; A57-L68 HydrophobicContact CB-CB 4.43Å; A57-L68 HydrophobicContact CB-CD2 3.74Å; A57-W88 HydrophobicContact CB-CE3 4.01Å; A57-W88 HydrophobicContact CB-CH2 4.22Å; A57-W88 HydrophobicContact CB-CZ3 3.76Å; A57-W88 WeakPolarHBondContact O-CZ3 3.38Å
58	E	98.3	Very high	97.8	Very high	111 Å²	111	39 Å²	39	52%	0.519	19%	0.187	S	C	.	.	H	α-helix	trans	-63.6	-31.5	175.1	-76.1	174.3	178.6	0	0	112.2	K54 L55 A56 G60 W88	K54-E58 WeakPolarHBondContact CE-OE1 3.49Å; K54-E58 HydrophobicContact CG-CG 4.44Å; K54-E58 WeakPolarHBondContact O-CB 2.96Å; K54-E58 VanDerWaalsContact O-CG 3.28Å; K54-E58 WeakPolarHBondContact O-CG 3.43Å; K54-E58 PolarHBondContact O-N 3.01Å; L55-E58 PolarHBondContact O-N 3.49Å; A56-E58 PolarHBondContact O-N 3.35Å; E58-G60 PolarHBondContact O-N 2.88Å; E58-W88 HydrophobicContact CG-CH2 3.76Å; E58-W88 HydrophobicContact CG-CZ2 4.31Å
59	Q	97.9	Very high	97.9	Very high	106 Å²	106	35 Å²	35	50%	0.495	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-1.8	172.5	-67.4	-166.3	71.9	0	0	114.2	G23 C25 L55 A56 A57	G23-Q59 PolarHBondContact O-NE2 2.94Å; G23-Q59 VanDerWaalsContact O-NE2 3.12Å; G23-Q59 PolarHBondContact O-OE1 3.05Å; C25-Q59 HydrophobicContact CB-CB 4.19Å; C25-Q59 WeakPolarHBondContact SG-CB 3.44Å; L55-Q59 WeakPolarHBondContact O-CG 3.23Å; L55-Q59 PolarHBondContact O-N 3.5Å; A56-Q59 PolarHBondContact O-N 2.73Å; A57-Q59 VanDerWaalsContact C-N 3.26Å; A57-Q59 PolarHBondContact O-N 2.94Å
60	G	97.3	Very high	97.9	Very high	31 Å²	31	38.7 Å²	38.7	32%	0.32	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	0.9	176.6	0	0	0	0	0	115.2	A56 A57 E58 C62 Q95	A56-G60 PolarHBondContact O-N 2.88Å; A57-G60 PolarHBondContact O-N 3.42Å; E58-G60 PolarHBondContact O-N 2.88Å; G60-C62 PolarHBondContact O-N 2.95Å; G60-C62 VanDerWaalsContact O-N 3.14Å; G60-Q95 PolarHBondContact O-NE2 3.49Å; G60-Q95 VanDerWaalsContact O-NE2 3.14Å
61	H	97.7	Very high	97.8	Very high	29 Å²	29	38.2 Å²	38.2	13%	0.134	18%	0.184	C	C	.	.			trans	-62.2	115.4	-177	-164.8	-61.4	0	0	0	111.9	E26 Y29 A56 E63 A64 Q65	E26-H61 IonicContact OE2-CD2 2.94Å; E26-H61 IonicContact OE2-NE2 2.82Å; E26-H61 PolarHBondContact OE2-NE2 3.48Å; E26-H61 VanDerWaalsContact OE2-NE2 3.13Å; Y29-H61 AromaticContact CD1-CE1 3.42Å; Y29-H61 VanDerWaalsContact CD1-CE1 3.42Å; Y29-H61 WeakPolarHBondContact CD1-CE1 3.47Å; Y29-H61 AromaticContact CD1-NE2 3.58Å; Y29-H61 AromaticContact CG-CE1 3.45Å; Y29-H61 VanDerWaalsContact CG-CE1 3.45Å; Y29-H61 AromaticContact CG-NE2 3.65Å; A56-H61 HydrophobicContact CB-CB 4.1Å; A56-H61 WeakPolarHBondContact O-CB 3.3Å; A56-H61 PolarHBondContact O-N 3.03Å; A56-H61 VanDerWaalsContact O-N 3.07Å; H61-E63 PolarHBondContact ND1-N 2.94Å; H61-E63 PolarHBondContact O-N 3.28Å; H61-A64 HydrophobicContact CB-CB 3.83Å; H61-A64 PolarHBondContact ND1-N 3.46Å; H61-A64 PolarHBondContact O-N 3.42Å; H61-Q65 VanDerWaalsContact O-CG 3.31Å; H61-Q65 WeakPolarHBondContact O-CG 3.12Å; H61-Q65 PolarHBondContact O-N 3.21Å
62	C	98.2	Very high	97.7	Very high	28 Å²	28	32.9 Å²	32.9	19%	0.189	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-50.2	-171.9	-170.1	0	0	0	0	113.3	G60 A64 Q65 Y66 Q95	G60-C62 PolarHBondContact O-N 2.95Å; G60-C62 VanDerWaalsContact O-N 3.14Å; C62-A64 VanDerWaalsContact C-N 3.32Å; C62-A64 PolarHBondContact O-N 3.3Å; C62-Q65 WeakPolarHBondContact O-CB 3.39Å; C62-Q65 PolarHBondContact O-N 3.2Å; C62-Y66 PolarHBondContact O-N 3.5Å; C62-Q95 HydrophobicContact CB-CB 4.4Å
63	E	97.3	Very high	97.6	Very high	80 Å²	80	33 Å²	33	37%	0.374	17%	0.167	S	C	.	.	H	α-helix	trans	-64.6	-34.6	178.4	-62	-65.9	148.4	0	0	112.7	Y29 H61 Y66 S67 H97	Y29-E63 HydrophobicContact CD2-CB 4.22Å; Y29-E63 HydrophobicContact CE1-CB 4.1Å; Y29-E63 HydrophobicContact CE2-CB 3.61Å; H61-E63 PolarHBondContact ND1-N 2.94Å; H61-E63 PolarHBondContact O-N 3.28Å; E63-Y66 PolarHBondContact O-N 2.97Å; E63-S67 VanDerWaalsContact O-CB 3.31Å; E63-S67 WeakPolarHBondContact O-CB 3.31Å; E63-S67 PolarHBondContact O-N 3.16Å; E63-S67 PolarHBondContact O-OG 3.2Å; E63-H97 IonicContact OE1-CD2 3.28Å; E63-H97 IonicContact OE1-NE2 2.72Å; E63-H97 PolarHBondContact OE1-NE2 3.42Å; E63-H97 IonicContact OE2-NE2 3.53Å; E63-H97 PolarHBondContact OE2-NE2 3.13Å
64	A	98.2	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-70.6	-38.4	177.1	0	0	0	0	0	111.2	Y29 L53 A56 A57 H61 C62 S67 L68	Y29-A64 HydrophobicContact CD2-CB 3.89Å; L53-A64 HydrophobicContact CD2-CB 4.32Å; A56-A64 HydrophobicContact CB-CB 3.54Å; A57-A64 HydrophobicContact CB-CB 4.16Å; H61-A64 HydrophobicContact CB-CB 3.83Å; H61-A64 PolarHBondContact ND1-N 3.46Å; H61-A64 PolarHBondContact O-N 3.42Å; C62-A64 VanDerWaalsContact C-N 3.32Å; C62-A64 PolarHBondContact O-N 3.3Å; A64-S67 PolarHBondContact O-N 3.26Å; A64-L68 WeakPolarHBondContact O-CB 3.37Å; A64-L68 PolarHBondContact O-N 3.35Å
65	Q	98.7	Very high	96.9	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-43.4	173	-69.6	173.2	-3.9	0	0	111.5	A57 H61 C62 G69 W88 K91 A92	A57-Q65 HydrophobicContact CB-CB 4.41Å; A57-Q65 HydrophobicContact CB-CG 3.77Å; A57-Q65 PolarHBondContact O-NE2 3.48Å; H61-Q65 VanDerWaalsContact O-CG 3.31Å; H61-Q65 WeakPolarHBondContact O-CG 3.12Å; H61-Q65 PolarHBondContact O-N 3.21Å; C62-Q65 WeakPolarHBondContact O-CB 3.39Å; C62-Q65 PolarHBondContact O-N 3.2Å; Q65-G69 PolarHBondContact O-N 3.44Å; Q65-W88 HydrophobicContact CB-CE3 4.34Å; Q65-W88 HydrophobicContact CG-CE3 3.88Å; Q65-W88 HydrophobicContact CG-CZ3 4.11Å; Q65-K91 HydrophobicContact CG-CB 4.5Å; Q65-K91 VanDerWaalsContact OE1-C 3.27Å; Q65-K91 VanDerWaalsContact OE1-CB 3.25Å; Q65-A92 HydrophobicContact CB-CB 3.91Å
66	Y	98.3	Very high	96.6	Very high	34 Å²	34	44.3 Å²	44.3	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-52.9	174	167.4	-113.1	0	0	0	111.4	C62 E63 L68 G69 Q70 L89 H97 F99 A100 A103	C62-Y66 PolarHBondContact O-N 3.5Å; E63-Y66 PolarHBondContact O-N 2.97Å; Y66-L68 PolarHBondContact O-N 3.01Å; Y66-G69 CarbonylContact O-C 3.56Å; Y66-G69 WeakPolarHBondContact O-CA 3.48Å; Y66-G69 PolarHBondContact O-N 3.44Å; Y66-G69 VanDerWaalsContact O-N 3.1Å; Y66-Q70 HydrophobicContact CD2-CG 4.2Å; Y66-Q70 HydrophobicContact CE1-CG 4.35Å; Y66-Q70 VanDerWaalsContact CE1-OE1 3.26Å; Y66-Q70 HydrophobicContact CE2-CG 3.76Å; Y66-Q70 VanDerWaalsContact CZ-OE1 3.26Å; Y66-Q70 WeakPolarHBondContact O-CG 3.12Å; Y66-Q70 PolarHBondContact O-N 2.85Å; Y66-Q70 PolarHBondContact OH-NE2 2.93Å; Y66-Q70 PolarHBondContact OH-OE1 3.28Å; Y66-L89 HydrophobicContact CD2-CD2 3.8Å; Y66-L89 HydrophobicContact CE2-CD2 4.35Å; Y66-H97 WeakPolarHBondContact CB-NE2 3.46Å; Y66-H97 AromaticContact CD1-CE1 3.63Å; Y66-H97 AromaticContact CD1-NE2 3.44Å; Y66-H97 WeakPolarHBondContact CD1-NE2 3.24Å; Y66-H97 AromaticContact CG-CE1 3.64Å; Y66-H97 AromaticContact CG-NE2 3.43Å; Y66-F99 HydrophobicContact CE1-CB 4.33Å; Y66-F99 HydrophobicContact CE2-CB 3.79Å; Y66-A100 HydrophobicContact CD2-CB 3.73Å; Y66-A100 HydrophobicContact CG-CB 4.38Å; Y66-A103 HydrophobicContact CE2-CB 4.24Å
67	S	97.4	Very high	96.4	Very high	15 Å²	15	44.7 Å²	44.7	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-42.9	-178.1	-58.4	0	0	0	0	112.2	E63 A64 Q70 K71	E63-S67 VanDerWaalsContact O-CB 3.31Å; E63-S67 WeakPolarHBondContact O-CB 3.31Å; E63-S67 PolarHBondContact O-N 3.16Å; E63-S67 PolarHBondContact O-OG 3.2Å; A64-S67 PolarHBondContact O-N 3.26Å; S67-Q70 WeakPolarHBondContact O-CB 3.42Å; S67-Q70 PolarHBondContact O-N 3.47Å; S67-K71 PolarHBondContact O-N 3.06Å
68	L	97.8	Very high	96.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-43.1	174.2	-177.7	67.2	0	0	0	111.2	F50 L53 K54 A57 A64 Y66 Q70 K71 Y72 W88	F50-L68 HydrophobicContact CD2-CD1 3.87Å; F50-L68 HydrophobicContact CE2-CD1 3.64Å; F50-L68 HydrophobicContact CG-CD1 4.46Å; F50-L68 HydrophobicContact CZ-CD1 4.07Å; L53-L68 HydrophobicContact CB-CB 4.46Å; K54-L68 HydrophobicContact CB-CD1 4.23Å; K54-L68 HydrophobicContact CB-CD2 4.23Å; K54-L68 HydrophobicContact CG-CD2 4.31Å; A57-L68 HydrophobicContact CB-CB 4.43Å; A57-L68 HydrophobicContact CB-CD2 3.74Å; A64-L68 WeakPolarHBondContact O-CB 3.37Å; A64-L68 PolarHBondContact O-N 3.35Å; Y66-L68 PolarHBondContact O-N 3.01Å; L68-Q70 VanDerWaalsContact C-N 3.26Å; L68-Q70 PolarHBondContact O-N 3.31Å; L68-K71 WeakPolarHBondContact O-CB 3.46Å; L68-K71 PolarHBondContact O-N 3.42Å; L68-K71 VanDerWaalsContact O-N 3.14Å; L68-Y72 HydrophobicContact CD1-CD2 4.33Å; L68-Y72 HydrophobicContact CD1-CE2 3.75Å; L68-Y72 HydrophobicContact CD2-CE2 4.09Å; L68-Y72 HydrophobicContact CG-CD2 4.01Å; L68-Y72 HydrophobicContact CG-CE2 3.59Å; L68-Y72 WeakPolarHBondContact O-CD2 3.4Å; L68-Y72 PolarHBondContact O-N 2.98Å; L68-Y72 VanDerWaalsContact O-N 3.16Å; L68-W88 HydrophobicContact CD2-CD2 3.67Å; L68-W88 HydrophobicContact CD2-CE3 4.27Å; L68-W88 HydrophobicContact CD2-CG 3.88Å; L68-W88 HydrophobicContact CD2-CH2 4.5Å; L68-W88 HydrophobicContact CD2-CZ2 3.96Å; L68-W88 HydrophobicContact CG-CG 4.31Å
69	G	97.9	Very high	96	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56	-41.1	172.6	0	0	0	0	0	112.4	Q65 Y66 Y72 T73	Q65-G69 PolarHBondContact O-N 3.44Å; Y66-G69 CarbonylContact O-C 3.56Å; Y66-G69 WeakPolarHBondContact O-CA 3.48Å; Y66-G69 PolarHBondContact O-N 3.44Å; Y66-G69 VanDerWaalsContact O-N 3.1Å; G69-Y72 PolarHBondContact O-N 3.49Å; G69-T73 PolarHBondContact O-N 3.35Å
70	Q	96	Very high	95.8	Very high	77 Å²	77	46.8 Å²	46.8	36%	0.36	23%	0.225	S	C	.	.	H	α-helix	trans	-65	-41.2	174.7	-65	-162	-72.8	0	0	112.5	Y66 S67 L68 Y72 T73 E74	Y66-Q70 HydrophobicContact CD2-CG 4.2Å; Y66-Q70 HydrophobicContact CE1-CG 4.35Å; Y66-Q70 VanDerWaalsContact CE1-OE1 3.26Å; Y66-Q70 HydrophobicContact CE2-CG 3.76Å; Y66-Q70 VanDerWaalsContact CZ-OE1 3.26Å; Y66-Q70 WeakPolarHBondContact O-CG 3.12Å; Y66-Q70 PolarHBondContact O-N 2.85Å; Y66-Q70 PolarHBondContact OH-NE2 2.93Å; Y66-Q70 PolarHBondContact OH-OE1 3.28Å; S67-Q70 WeakPolarHBondContact O-CB 3.42Å; S67-Q70 PolarHBondContact O-N 3.47Å; L68-Q70 VanDerWaalsContact C-N 3.26Å; L68-Q70 PolarHBondContact O-N 3.31Å; Q70-Y72 VanDerWaalsContact C-N 3.26Å; Q70-Y72 PolarHBondContact O-N 3.22Å; Q70-T73 WeakPolarHBondContact O-CA 3.35Å; Q70-T73 WeakPolarHBondContact O-CB 3.5Å; Q70-T73 PolarHBondContact O-N 2.98Å; Q70-T73 PolarHBondContact O-OG1 3.47Å; Q70-E74 PolarHBondContact O-N 3.48Å
71	K	95.5	Very high	95.7	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.039	23%	0.226	C	C	.	.	H	α-helix	trans	-55.1	-44.1	175.2	-73.2	-74.5	168.8	-161.2	0	111.9	N36 D46 F50 S67 L68 T73 E74	N36-K71 WeakPolarHBondContact OD1-CE 3.43Å; N36-K71 PolarHBondContact OD1-NZ 3.38Å; D46-K71 VanDerWaalsContact OD1-CE 3.26Å; D46-K71 WeakPolarHBondContact OD1-CE 3.34Å; D46-K71 IonicContact OD1-NZ 2.67Å; D46-K71 PolarHBondContact OD1-NZ 3.29Å; F50-K71 HydrophobicContact CD2-CB 4.05Å; F50-K71 HydrophobicContact CD2-CG 4.39Å; F50-K71 HydrophobicContact CE2-CB 4.37Å; S67-K71 PolarHBondContact O-N 3.06Å; L68-K71 WeakPolarHBondContact O-CB 3.46Å; L68-K71 PolarHBondContact O-N 3.42Å; L68-K71 VanDerWaalsContact O-N 3.14Å; K71-T73 PolarHBondContact O-N 2.88Å; K71-E74 IonicContact NZ-OE1 3.74Å; K71-E74 PolarHBondContact NZ-OE1 3.44Å; K71-E74 PolarHBondContact O-N 3.09Å
72	Y	96.9	Very high	95.6	Very high	17 Å²	17	49.2 Å²	49.2	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-18.6	175.8	-74.1	-66.8	0	0	0	114	F50 L68 G69 Q70 H79 K80 D81 Q84 W88	F50-Y72 HydrophobicContact CE2-CE1 4.05Å; F50-Y72 HydrophobicContact CE2-CE2 4.2Å; F50-Y72 AromaticContact CE2-CZ 3.83Å; F50-Y72 AromaticContact CZ-CE1 3.92Å; F50-Y72 HydrophobicContact CZ-CE1 3.92Å; F50-Y72 HydrophobicContact CZ-CE2 4.28Å; F50-Y72 AromaticContact CZ-CZ 3.58Å; F50-Y72 VanDerWaalsContact CZ-OH 3.32Å; F50-Y72 WeakPolarHBondContact CZ-OH 3.31Å; L68-Y72 HydrophobicContact CD1-CD2 4.33Å; L68-Y72 HydrophobicContact CD1-CE2 3.75Å; L68-Y72 HydrophobicContact CD2-CE2 4.09Å; L68-Y72 HydrophobicContact CG-CD2 4.01Å; L68-Y72 HydrophobicContact CG-CE2 3.59Å; L68-Y72 WeakPolarHBondContact O-CD2 3.4Å; L68-Y72 PolarHBondContact O-N 2.98Å; L68-Y72 VanDerWaalsContact O-N 3.16Å; G69-Y72 PolarHBondContact O-N 3.49Å; Q70-Y72 VanDerWaalsContact C-N 3.26Å; Q70-Y72 PolarHBondContact O-N 3.22Å; Y72-H79 HydrophobicContact CD1-CB 4.44Å; Y72-H79 WeakPolarHBondContact CD1-O 3.48Å; Y72-H79 HydrophobicContact CE1-CB 4.46Å; Y72-K80 WeakPolarHBondContact O-CD 3.29Å; Y72-D81 WeakPolarHBondContact CB-O 3.41Å; Y72-D81 HydrophobicContact CD1-CB 3.87Å; Y72-D81 HydrophobicContact CE1-CB 4.42Å; Y72-D81 PolarHBondContact O-N 3.48Å; Y72-Q84 HydrophobicContact CD1-CB 3.43Å; Y72-Q84 VanDerWaalsContact CD1-CB 3.43Å; Y72-Q84 HydrophobicContact CD1-CG 4.16Å; Y72-Q84 HydrophobicContact CD2-CB 3.74Å; Y72-Q84 HydrophobicContact CE1-CB 3.56Å; Y72-Q84 HydrophobicContact CE1-CG 3.86Å; Y72-Q84 HydrophobicContact CE2-CB 3.82Å; Y72-Q84 HydrophobicContact CG-CB 3.57Å; Y72-W88 AromaticContact CD2-CD1 3.68Å; Y72-W88 AromaticContact CE2-CD1 3.38Å; Y72-W88 HydrophobicContact CE2-CG 4.48Å; Y72-W88 AromaticContact CE2-NE1 3.59Å
73	T	94.8	Very high	95.5	Very high	27 Å²	27	55.2 Å²	55.2	17%	0.166	26%	0.257	C	S	.	.	H	α-helix	trans	-84.7	-17	176.4	63.6	0	0	0	0	114.4	G69 Q70 K71 D75 K80 A85 L89 T107	G69-T73 PolarHBondContact O-N 3.35Å; Q70-T73 WeakPolarHBondContact O-CA 3.35Å; Q70-T73 WeakPolarHBondContact O-CB 3.5Å; Q70-T73 PolarHBondContact O-N 2.98Å; Q70-T73 PolarHBondContact O-OG1 3.47Å; K71-T73 PolarHBondContact O-N 2.88Å; T73-D75 PolarHBondContact O-N 3.09Å; T73-D75 VanDerWaalsContact O-N 3.16Å; T73-K80 PolarHBondContact O-NZ 3.49Å; T73-A85 HydrophobicContact CG2-CB 3.62Å; T73-L89 HydrophobicContact CG2-CD1 4.33Å; T73-T107 HydrophobicContact CG2-CG2 4.46Å
74	E	92.4	Very high	95.5	Very high	55 Å²	55	54.6 Å²	54.6	26%	0.257	25%	0.254	S	S	.	.			trans	-68.9	107.8	-173.9	-66.4	-179.7	-159.2	0	0	112	Q70 K71 K76 S77	Q70-E74 PolarHBondContact O-N 3.48Å; K71-E74 IonicContact NZ-OE1 3.74Å; K71-E74 PolarHBondContact NZ-OE1 3.44Å; K71-E74 PolarHBondContact O-N 3.09Å; E74-K76 PolarHBondContact O-N 3.11Å; E74-S77 PolarHBondContact O-N 3.33Å
75	D	90.3	Very high	95.4	Very high	124 Å²	124	54.6 Å²	54.6	66%	0.663	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.6	-171.7	-68.9	-26.8	0	0	0	115.3	T73 K80	T73-D75 PolarHBondContact O-N 3.09Å; T73-D75 VanDerWaalsContact O-N 3.16Å; D75-K80 WeakPolarHBondContact OD1-CE 3.34Å; D75-K80 IonicContact OD1-NZ 2.79Å; D75-K80 PolarHBondContact OD1-NZ 3.03Å
76	K	92.1	Very high	95.4	Very high	179 Å²	179	56.4 Å²	56.4	78%	0.778	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-8.7	-179.2	-66	-177.3	-178.6	177.5	0	113.7	I41 E74	I41-K76 HydrophobicContact CD1-CB 4.04Å; E74-K76 PolarHBondContact O-N 3.11Å
77	S	92.4	Very high	95.4	Very high	8 Å²	8	59.5 Å²	59.5	6%	0.056	28%	0.278	C	S	.	.	S	Bend	trans	-78.3	145.1	-178.5	178.5	0	0	0	0	110.7	D42 E74 H79 K80	D42-S77 WeakPolarHBondContact OD1-CA 3.35Å; D42-S77 PolarHBondContact OD1-OG 2.8Å; E74-S77 PolarHBondContact O-N 3.33Å; S77-H79 PolarHBondContact O-N 3.39Å; S77-H79 PolarHBondContact OG-N 3.27Å; S77-H79 VanDerWaalsContact OG-N 3.09Å; S77-K80 VanDerWaalsContact O-CB 3.23Å; S77-K80 WeakPolarHBondContact O-CB 3.47Å; S77-K80 PolarHBondContact O-N 3.08Å
78	R	94.2	Very high	95.5	Very high	161 Å²	161	59.3 Å²	59.3	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.8	168.6	73.1	-167.8	-172	168.7	9.5	113.6	D42 E47 K80	D42-R78 WeakPolarHBondContact OD1-CG 3.29Å; D42-R78 PolarHBondContact OD1-N 2.93Å; D42-R78 PolarHBondContact OD2-N 3.39Å; D42-R78 VanDerWaalsContact OD2-N 3.1Å; E47-R78 IonicContact OE1-CZ 3.53Å; E47-R78 IonicContact OE1-NE 3.73Å; E47-R78 PolarHBondContact OE1-NE 3.28Å; E47-R78 IonicContact OE1-NH2 3.13Å; E47-R78 PolarHBondContact OE1-NH2 3.17Å; E47-R78 VanDerWaalsContact OE1-NH2 3.16Å; E47-R78 IonicContact OE2-CZ 3.48Å; E47-R78 IonicContact OE2-NE 3Å; E47-R78 PolarHBondContact OE2-NE 3.17Å; E47-R78 IonicContact OE2-NH2 3.95Å; E47-R78 PolarHBondContact OE2-NH2 3.43Å; R78-K80 VanDerWaalsContact C-N 3.32Å
79	H	93.9	Very high	95.5	Very high	36 Å²	36	59.3 Å²	59.3	17%	0.167	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4	175.3	-58.6	-63.8	0	0	0	112.6	E47 F50 Y72 S77 D81	E47-H79 VanDerWaalsContact CD-NE2 3.26Å; E47-H79 IonicContact OE1-CD2 3.72Å; E47-H79 IonicContact OE1-CE1 3.48Å; E47-H79 IonicContact OE1-NE2 3.43Å; E47-H79 PolarHBondContact OE1-NE2 3.24Å; E47-H79 IonicContact OE2-CE1 3.12Å; E47-H79 PolarHBondContact OE2-CE1 2.89Å; E47-H79 IonicContact OE2-NE2 2.94Å; E47-H79 PolarHBondContact OE2-NE2 2.99Å; F50-H79 AromaticContact CD1-CE1 3.83Å; F50-H79 AromaticContact CD1-NE2 3.95Å; F50-H79 HydrophobicContact CD2-CB 4.24Å; F50-H79 AromaticContact CD2-CD2 3.64Å; F50-H79 AromaticContact CD2-CG 3.77Å; F50-H79 AromaticContact CD2-NE2 3.98Å; F50-H79 AromaticContact CE1-CE1 3.76Å; F50-H79 AromaticContact CE1-ND1 3.78Å; F50-H79 HydrophobicContact CE2-CB 3.68Å; F50-H79 AromaticContact CE2-CD2 3.86Å; F50-H79 AromaticContact CE2-CG 3.48Å; F50-H79 VanDerWaalsContact CE2-CG 3.48Å; F50-H79 AromaticContact CE2-ND1 3.76Å; F50-H79 AromaticContact CG-CD2 3.93Å; F50-H79 AromaticContact CG-NE2 3.78Å; F50-H79 HydrophobicContact CZ-CB 4.18Å; F50-H79 AromaticContact CZ-CE1 3.94Å; F50-H79 AromaticContact CZ-CG 3.75Å; F50-H79 AromaticContact CZ-ND1 3.5Å; Y72-H79 HydrophobicContact CD1-CB 4.44Å; Y72-H79 WeakPolarHBondContact CD1-O 3.48Å; Y72-H79 HydrophobicContact CE1-CB 4.46Å; S77-H79 PolarHBondContact O-N 3.39Å; S77-H79 PolarHBondContact OG-N 3.27Å; S77-H79 VanDerWaalsContact OG-N 3.09Å; H79-D81 PolarHBondContact O-N 2.95Å
80	K	94.9	Very high	95.5	Very high	65 Å²	65	62.9 Å²	62.9	28%	0.283	29%	0.291	S	S	.	.			trans	-53.7	113.5	178.1	176.3	53.1	169.2	-176.4	0	111.2	Y72 T73 D75 S77 R78 N82	Y72-K80 WeakPolarHBondContact O-CD 3.29Å; T73-K80 PolarHBondContact O-NZ 3.49Å; D75-K80 WeakPolarHBondContact OD1-CE 3.34Å; D75-K80 IonicContact OD1-NZ 2.79Å; D75-K80 PolarHBondContact OD1-NZ 3.03Å; S77-K80 VanDerWaalsContact O-CB 3.23Å; S77-K80 WeakPolarHBondContact O-CB 3.47Å; S77-K80 PolarHBondContact O-N 3.08Å; R78-K80 VanDerWaalsContact C-N 3.32Å; K80-N82 WeakPolarHBondContact CE-OD1 3.42Å; K80-N82 PolarHBondContact NZ-OD1 2.84Å
81	D	95.6	Very high	95.7	Very high	61 Å²	61	62.9 Å²	62.9	33%	0.326	29%	0.289	S	S	.	.			trans	-155.9	106.7	178.6	-176.1	-31.5	0	0	0	109.5	Y72 H79 E83 Q84 A85	Y72-D81 WeakPolarHBondContact CB-O 3.41Å; Y72-D81 HydrophobicContact CD1-CB 3.87Å; Y72-D81 HydrophobicContact CE1-CB 4.42Å; Y72-D81 PolarHBondContact O-N 3.48Å; H79-D81 PolarHBondContact O-N 2.95Å; D81-E83 VanDerWaalsContact C-N 3.29Å; D81-E83 PolarHBondContact O-N 3.17Å; D81-E83 WeakPolarHBondContact OD1-CA 3.4Å; D81-E83 WeakPolarHBondContact OD1-CB 3.46Å; D81-E83 PolarHBondContact OD1-N 3.27Å; D81-Q84 HydrophobicContact CB-CB 4.01Å; D81-Q84 HydrophobicContact CB-CG 4.06Å; D81-Q84 VanDerWaalsContact CG-CG 3.5Å; D81-Q84 PolarHBondContact O-N 3.11Å; D81-Q84 PolarHBondContact OD1-N 2.71Å; D81-Q84 WeakPolarHBondContact OD2-CG 3.46Å; D81-A85 WeakPolarHBondContact O-CB 3.45Å; D81-A85 PolarHBondContact O-N 2.79Å
82	N	94.6	Very high	95.8	Very high	49 Å²	49	62.4 Å²	62.4	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-66.7	-29.4	-177.2	-70.7	-24.6	0	0	0	112.8	K80 I86	K80-N82 WeakPolarHBondContact CE-OD1 3.42Å; K80-N82 PolarHBondContact NZ-OD1 2.84Å; N82-I86 WeakPolarHBondContact O-CB 3.47Å; N82-I86 WeakPolarHBondContact O-CD1 3.26Å; N82-I86 VanDerWaalsContact O-CG1 3.23Å; N82-I86 WeakPolarHBondContact O-CG1 3.36Å; N82-I86 PolarHBondContact O-N 3Å
83	E	95.7	Very high	95.9	Very high	154 Å²	154	61.9 Å²	61.9	72%	0.72	29%	0.287	S	S	*	.	H	α-helix	trans	-70.5	-43.3	178.3	-64	-171.9	173.2	0	0	110.5	D81 I86 F87	D81-E83 VanDerWaalsContact C-N 3.29Å; D81-E83 PolarHBondContact O-N 3.17Å; D81-E83 WeakPolarHBondContact OD1-CA 3.4Å; D81-E83 WeakPolarHBondContact OD1-CB 3.46Å; D81-E83 PolarHBondContact OD1-N 3.27Å; E83-I86 PolarHBondContact O-N 3.12Å; E83-F87 WeakPolarHBondContact O-CB 3.37Å; E83-F87 PolarHBondContact O-N 3.24Å
84	Q	97.2	Very high	96.1	Very high	67 Å²	67	66.6 Å²	66.6	31%	0.313	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-41	173.7	-67.3	-62.5	-39.1	0	0	111.8	Y72 D81 I86 F87 W88	Y72-Q84 HydrophobicContact CD1-CB 3.43Å; Y72-Q84 VanDerWaalsContact CD1-CB 3.43Å; Y72-Q84 HydrophobicContact CD1-CG 4.16Å; Y72-Q84 HydrophobicContact CD2-CB 3.74Å; Y72-Q84 HydrophobicContact CE1-CB 3.56Å; Y72-Q84 HydrophobicContact CE1-CG 3.86Å; Y72-Q84 HydrophobicContact CE2-CB 3.82Å; Y72-Q84 HydrophobicContact CG-CB 3.57Å; D81-Q84 HydrophobicContact CB-CB 4.01Å; D81-Q84 HydrophobicContact CB-CG 4.06Å; D81-Q84 VanDerWaalsContact CG-CG 3.5Å; D81-Q84 PolarHBondContact O-N 3.11Å; D81-Q84 PolarHBondContact OD1-N 2.71Å; D81-Q84 WeakPolarHBondContact OD2-CG 3.46Å; Q84-I86 PolarHBondContact O-N 2.86Å; Q84-F87 PolarHBondContact O-N 3.04Å; Q84-W88 PolarHBondContact O-N 2.73Å
85	A	97.6	Very high	96.3	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-55.9	-52.1	173.7	0	0	0	0	0	110.9	T73 D81 F87 W88 L89 T107	T73-A85 HydrophobicContact CG2-CB 3.62Å; D81-A85 WeakPolarHBondContact O-CB 3.45Å; D81-A85 PolarHBondContact O-N 2.79Å; A85-F87 VanDerWaalsContact C-N 3.32Å; A85-F87 PolarHBondContact O-N 3.5Å; A85-W88 PolarHBondContact O-N 3.48Å; A85-L89 HydrophobicContact CB-CD1 4.47Å; A85-L89 WeakPolarHBondContact O-CB 3.14Å; A85-L89 WeakPolarHBondContact O-CD1 3.17Å; A85-L89 WeakPolarHBondContact O-CG 3.39Å; A85-L89 PolarHBondContact O-N 2.8Å; A85-T107 HydrophobicContact CB-CG2 4.2Å
86	I	98	Very high	96.6	Very high	47 Å²	47	65.8 Å²	65.8	24%	0.241	32%	0.317	C	S	.	.	H	α-helix	trans	-57.8	-45.4	177.4	-72.5	164.4	0	0	0	110.8	N82 E83 Q84 K90 L104 T107 L108	N82-I86 WeakPolarHBondContact O-CB 3.47Å; N82-I86 WeakPolarHBondContact O-CD1 3.26Å; N82-I86 VanDerWaalsContact O-CG1 3.23Å; N82-I86 WeakPolarHBondContact O-CG1 3.36Å; N82-I86 PolarHBondContact O-N 3Å; E83-I86 PolarHBondContact O-N 3.12Å; Q84-I86 PolarHBondContact O-N 2.86Å; I86-K90 WeakPolarHBondContact O-CB 3.5Å; I86-K90 PolarHBondContact O-N 2.78Å; I86-L104 HydrophobicContact CB-CD1 4.22Å; I86-L104 HydrophobicContact CG1-CD1 4.16Å; I86-L104 HydrophobicContact CG2-CD1 3.98Å; I86-T107 HydrophobicContact CD1-CG2 4.34Å; I86-T107 HydrophobicContact CG1-CG2 3.83Å; I86-L108 HydrophobicContact CD1-CD2 3.74Å; I86-L108 HydrophobicContact CD1-CG 4.45Å; I86-L108 HydrophobicContact CG1-CD2 4.1Å; I86-L108 HydrophobicContact CG1-CG 4.42Å; I86-L108 HydrophobicContact CG2-CD2 4.4Å
87	F	98.3	Very high	96.8	Very high	99 Å²	99	58 Å²	58	43%	0.434	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-51	-179.4	175.8	-100.1	0	0	0	112.6	E83 Q84 A85 K91	E83-F87 WeakPolarHBondContact O-CB 3.37Å; E83-F87 PolarHBondContact O-N 3.24Å; Q84-F87 PolarHBondContact O-N 3.04Å; A85-F87 VanDerWaalsContact C-N 3.32Å; A85-F87 PolarHBondContact O-N 3.5Å; F87-K91 HydrophobicContact CE1-CD 4.17Å; F87-K91 HydrophobicContact CZ-CD 4.29Å; F87-K91 VanDerWaalsContact CZ-NZ 3.31Å; F87-K91 PolarHBondContact O-N 2.99Å
88	W	98.6	Very high	97	Very high	10 Å²	10	60 Å²	60	4%	0.038	30%	0.295	C	S	.	.	H	α-helix	trans	-74.2	-41.9	-176.9	-70.4	113.4	0	0	0	112.7	A57 E58 Q65 L68 Y72 Q84 A85 K90 K91 A92	A57-W88 HydrophobicContact CB-CE3 4.01Å; A57-W88 HydrophobicContact CB-CH2 4.22Å; A57-W88 HydrophobicContact CB-CZ3 3.76Å; A57-W88 WeakPolarHBondContact O-CZ3 3.38Å; E58-W88 HydrophobicContact CG-CH2 3.76Å; E58-W88 HydrophobicContact CG-CZ2 4.31Å; Q65-W88 HydrophobicContact CB-CE3 4.34Å; Q65-W88 HydrophobicContact CG-CE3 3.88Å; Q65-W88 HydrophobicContact CG-CZ3 4.11Å; L68-W88 HydrophobicContact CD2-CD2 3.67Å; L68-W88 HydrophobicContact CD2-CE3 4.27Å; L68-W88 HydrophobicContact CD2-CG 3.88Å; L68-W88 HydrophobicContact CD2-CH2 4.5Å; L68-W88 HydrophobicContact CD2-CZ2 3.96Å; L68-W88 HydrophobicContact CG-CG 4.31Å; Y72-W88 AromaticContact CD2-CD1 3.68Å; Y72-W88 AromaticContact CE2-CD1 3.38Å; Y72-W88 HydrophobicContact CE2-CG 4.48Å; Y72-W88 AromaticContact CE2-NE1 3.59Å; Q84-W88 PolarHBondContact O-N 2.73Å; A85-W88 PolarHBondContact O-N 3.48Å; W88-K90 VanDerWaalsContact C-N 3.29Å; W88-K90 PolarHBondContact O-N 3.41Å; W88-K91 HydrophobicContact CE3-CD 3.92Å; W88-K91 HydrophobicContact CZ3-CD 3.94Å; W88-K91 PolarHBondContact O-N 3.32Å; W88-A92 PolarHBondContact O-N 2.99Å; W88-A92 VanDerWaalsContact O-N 3.1Å
89	L	98.7	Very high	97.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-38.1	175.3	-67.5	172.1	0	0	0	111.5	Y66 T73 A85 A92 A93 A100 A103 L104	Y66-L89 HydrophobicContact CD2-CD2 3.8Å; Y66-L89 HydrophobicContact CE2-CD2 4.35Å; T73-L89 HydrophobicContact CG2-CD1 4.33Å; A85-L89 HydrophobicContact CB-CD1 4.47Å; A85-L89 WeakPolarHBondContact O-CB 3.14Å; A85-L89 WeakPolarHBondContact O-CD1 3.17Å; A85-L89 WeakPolarHBondContact O-CG 3.39Å; A85-L89 PolarHBondContact O-N 2.8Å; L89-A92 PolarHBondContact O-N 2.93Å; L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 3.39Å; L89-A100 HydrophobicContact CD2-CB 4.42Å; L89-A103 HydrophobicContact CD1-CB 3.97Å; L89-A103 HydrophobicContact CD2-CB 3.92Å; L89-L104 HydrophobicContact CB-CB 4.02Å; L89-L104 HydrophobicContact CB-CD1 4.32Å
90	K	98.6	Very high	97.3	Very high	76 Å²	76	55.8 Å²	55.8	33%	0.33	28%	0.281	S	S	.	.	H	α-helix	trans	-65.5	-39.2	176.5	-171.2	164.7	-175.8	163.6	0	112.5	I86 W88 A93 L94 L104 E118 W122	I86-K90 WeakPolarHBondContact O-CB 3.5Å; I86-K90 PolarHBondContact O-N 2.78Å; W88-K90 VanDerWaalsContact C-N 3.29Å; W88-K90 PolarHBondContact O-N 3.41Å; K90-A93 PolarHBondContact O-N 3.44Å; K90-L94 HydrophobicContact CG-CD1 4.15Å; K90-L94 HydrophobicContact CG-CG 4.48Å; K90-L94 WeakPolarHBondContact O-CB 3.48Å; K90-L94 WeakPolarHBondContact O-CG 3.45Å; K90-L94 PolarHBondContact O-N 3.42Å; K90-L104 HydrophobicContact CB-CD2 3.75Å; K90-L104 HydrophobicContact CG-CD2 4.12Å; K90-E118 IonicContact NZ-OE1 3.08Å; K90-E118 PolarHBondContact NZ-OE1 3.03Å; K90-W122 HydrophobicContact CG-CZ2 4.08Å
91	K	98.6	Very high	97.5	Very high	76 Å²	76	52.7 Å²	52.7	33%	0.33	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-46.4	173	-73.7	-177	170.6	-178.3	0	111.8	Q65 F87 W88 L94 Q95	Q65-K91 HydrophobicContact CG-CB 4.5Å; Q65-K91 VanDerWaalsContact OE1-C 3.27Å; Q65-K91 VanDerWaalsContact OE1-CB 3.25Å; F87-K91 HydrophobicContact CE1-CD 4.17Å; F87-K91 HydrophobicContact CZ-CD 4.29Å; F87-K91 VanDerWaalsContact CZ-NZ 3.31Å; F87-K91 PolarHBondContact O-N 2.99Å; W88-K91 HydrophobicContact CE3-CD 3.92Å; W88-K91 HydrophobicContact CZ3-CD 3.94Å; W88-K91 PolarHBondContact O-N 3.32Å; K91-L94 PolarHBondContact O-N 2.87Å; K91-Q95 WeakPolarHBondContact O-CG 3.27Å; K91-Q95 PolarHBondContact O-N 3.39Å
92	A	98.7	Very high	97.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-44.1	177.3	0	0	0	0	0	112.2	Q65 W88 L89 L94 Q95 H97 A100	Q65-A92 HydrophobicContact CB-CB 3.91Å; W88-A92 PolarHBondContact O-N 2.99Å; W88-A92 VanDerWaalsContact O-N 3.1Å; L89-A92 PolarHBondContact O-N 2.93Å; A92-L94 VanDerWaalsContact C-N 3.33Å; A92-L94 PolarHBondContact O-N 3.3Å; A92-Q95 WeakPolarHBondContact O-CB 3.41Å; A92-Q95 PolarHBondContact O-N 3.08Å; A92-H97 HydrophobicContact CB-CB 4.2Å; A92-H97 WeakPolarHBondContact O-CB 3.26Å; A92-H97 PolarHBondContact O-N 3.43Å; A92-A100 HydrophobicContact CB-CB 3.59Å
93	A	98.5	Very high	97.7	Very high	6 Å²	6	49.3 Å²	49.3	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-38.4	179.6	0	0	0	0	0	112.3	L89 K90 Q95 G96 A100 L104 W122	L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 3.39Å; K90-A93 PolarHBondContact O-N 3.44Å; A93-Q95 PolarHBondContact O-N 3.43Å; A93-G96 PolarHBondContact O-N 2.94Å; A93-A100 HydrophobicContact CB-CB 4.17Å; A93-L104 HydrophobicContact CB-CD2 4.28Å; A93-W122 HydrophobicContact CB-CE3 3.88Å; A93-W122 HydrophobicContact CB-CH2 3.94Å; A93-W122 HydrophobicContact CB-CZ3 3.47Å; A93-W122 VanDerWaalsContact CB-CZ3 3.47Å
94	L	98.3	Very high	97.8	Very high	126 Å²	126	42 Å²	42	66%	0.66	22%	0.218	S	C	*	.	H	α-helix	trans	-65	-19.5	174.3	-73.9	169.9	0	0	0	113.5	K90 K91 A92 G96 W122	K90-L94 HydrophobicContact CG-CD1 4.15Å; K90-L94 HydrophobicContact CG-CG 4.48Å; K90-L94 WeakPolarHBondContact O-CB 3.48Å; K90-L94 WeakPolarHBondContact O-CG 3.45Å; K90-L94 PolarHBondContact O-N 3.42Å; K91-L94 PolarHBondContact O-N 2.87Å; A92-L94 VanDerWaalsContact C-N 3.33Å; A92-L94 PolarHBondContact O-N 3.3Å; L94-G96 VanDerWaalsContact C-N 3.28Å; L94-W122 HydrophobicContact CD2-CH2 3.99Å; L94-W122 HydrophobicContact CG-CH2 4.15Å
95	Q	98	Very high	97.8	Very high	106 Å²	106	38.8 Å²	38.8	50%	0.495	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.2	171.4	-62.1	-173.1	69.7	0	0	112.9	G60 C62 K91 A92 A93	G60-Q95 PolarHBondContact O-NE2 3.49Å; G60-Q95 VanDerWaalsContact O-NE2 3.14Å; C62-Q95 HydrophobicContact CB-CB 4.4Å; K91-Q95 WeakPolarHBondContact O-CG 3.27Å; K91-Q95 PolarHBondContact O-N 3.39Å; A92-Q95 WeakPolarHBondContact O-CB 3.41Å; A92-Q95 PolarHBondContact O-N 3.08Å; A93-Q95 PolarHBondContact O-N 3.43Å
96	G	96.4	Very high	97.8	Very high	55 Å²	55	43.2 Å²	43.2	57%	0.567	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.6	10.9	-179.8	0	0	0	0	0	114.4	A93 L94 T98	A93-G96 PolarHBondContact O-N 2.94Å; L94-G96 VanDerWaalsContact C-N 3.28Å; G96-T98 PolarHBondContact O-N 3.45Å; G96-T98 VanDerWaalsContact O-N 3.13Å
97	H	97.1	Very high	97.7	Very high	16 Å²	16	41.1 Å²	41.1	7%	0.074	21%	0.209	C	C	.	.			trans	-70.2	109.5	177.1	-163.1	-40.4	0	0	0	110.7	E63 Y66 A92 F99 A100 S101	E63-H97 IonicContact OE1-CD2 3.28Å; E63-H97 IonicContact OE1-NE2 2.72Å; E63-H97 PolarHBondContact OE1-NE2 3.42Å; E63-H97 IonicContact OE2-NE2 3.53Å; E63-H97 PolarHBondContact OE2-NE2 3.13Å; Y66-H97 WeakPolarHBondContact CB-NE2 3.46Å; Y66-H97 AromaticContact CD1-CE1 3.63Å; Y66-H97 AromaticContact CD1-NE2 3.44Å; Y66-H97 WeakPolarHBondContact CD1-NE2 3.24Å; Y66-H97 AromaticContact CG-CE1 3.64Å; Y66-H97 AromaticContact CG-NE2 3.43Å; A92-H97 HydrophobicContact CB-CB 4.2Å; A92-H97 WeakPolarHBondContact O-CB 3.26Å; A92-H97 PolarHBondContact O-N 3.43Å; H97-F99 AromaticContact CE1-CD2 3.93Å; H97-F99 PolarHBondContact ND1-N 3.02Å; H97-A100 HydrophobicContact CB-CB 3.81Å; H97-A100 PolarHBondContact ND1-N 3.18Å; H97-A100 PolarHBondContact O-N 2.98Å; H97-S101 PolarHBondContact O-N 2.97Å; H97-S101 PolarHBondContact O-OG 2.98Å; H97-S101 VanDerWaalsContact O-OG 3.11Å
98	T	95.1	Very high	97.7	Very high	50 Å²	50	36.9 Å²	36.9	31%	0.307	19%	0.191	S	C	.	.	H	α-helix	trans	-68.3	-43.8	-173.2	53.1	0	0	0	0	112.5	G96 A100 S101 N102 S129	G96-T98 PolarHBondContact O-N 3.45Å; G96-T98 VanDerWaalsContact O-N 3.13Å; T98-A100 VanDerWaalsContact C-N 3.32Å; T98-A100 PolarHBondContact O-N 2.79Å; T98-S101 WeakPolarHBondContact O-CB 3.31Å; T98-S101 PolarHBondContact O-N 3.46Å; T98-S101 VanDerWaalsContact O-N 3.14Å; T98-N102 PolarHBondContact O-N 3.01Å; T98-S129 WeakPolarHBondContact CG2-OG 3.47Å
99	F	96.4	Very high	97.5	Very high	108 Å²	108	36.9 Å²	36.9	47%	0.474	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-39.1	174.4	-62.1	-79.5	0	0	0	112.6	Y66 H97 S101 N102 A103 M131	Y66-F99 HydrophobicContact CE1-CB 4.33Å; Y66-F99 HydrophobicContact CE2-CB 3.79Å; H97-F99 AromaticContact CE1-CD2 3.93Å; H97-F99 PolarHBondContact ND1-N 3.02Å; F99-S101 VanDerWaalsContact C-N 3.32Å; F99-S101 PolarHBondContact O-N 3.12Å; F99-N102 PolarHBondContact O-N 2.96Å; F99-A103 WeakPolarHBondContact O-CB 3.37Å; F99-A103 PolarHBondContact O-N 2.84Å; F99-M131 HydrophobicContact CD1-CE 3.59Å; F99-M131 HydrophobicContact CD1-SD 4.34Å; F99-M131 HydrophobicContact CE1-CE 3.94Å
100	A	98.2	Very high	97.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-38.5	174.3	0	0	0	0	0	112	Y66 L89 A92 A93 H97 T98 A103 L104	Y66-A100 HydrophobicContact CD2-CB 3.73Å; Y66-A100 HydrophobicContact CG-CB 4.38Å; L89-A100 HydrophobicContact CD2-CB 4.42Å; A92-A100 HydrophobicContact CB-CB 3.59Å; A93-A100 HydrophobicContact CB-CB 4.17Å; H97-A100 HydrophobicContact CB-CB 3.81Å; H97-A100 PolarHBondContact ND1-N 3.18Å; H97-A100 PolarHBondContact O-N 2.98Å; T98-A100 VanDerWaalsContact C-N 3.32Å; T98-A100 PolarHBondContact O-N 2.79Å; A100-A103 PolarHBondContact O-N 3.35Å; A100-L104 WeakPolarHBondContact O-CB 3.07Å; A100-L104 PolarHBondContact O-N 2.9Å
101	S	98.4	Very high	96.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-46.4	174.5	-58.1	0	0	0	0	111.4	H97 T98 F99 L104 G105 W122	H97-S101 PolarHBondContact O-N 2.97Å; H97-S101 PolarHBondContact O-OG 2.98Å; H97-S101 VanDerWaalsContact O-OG 3.11Å; T98-S101 WeakPolarHBondContact O-CB 3.31Å; T98-S101 PolarHBondContact O-N 3.46Å; T98-S101 VanDerWaalsContact O-N 3.14Å; F99-S101 VanDerWaalsContact C-N 3.32Å; F99-S101 PolarHBondContact O-N 3.12Å; S101-L104 PolarHBondContact O-N 2.75Å; S101-G105 PolarHBondContact O-N 3.03Å; S101-W122 WeakPolarHBondContact O-CB 3.32Å
102	N	97.7	Very high	95.8	Very high	22 Å²	22	46.6 Å²	46.6	12%	0.118	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-44.9	176	176	73.3	0	0	0	112.6	T98 F99 L104 G105 W106 A126 M131 A134	T98-N102 PolarHBondContact O-N 3.01Å; F99-N102 PolarHBondContact O-N 2.96Å; N102-L104 VanDerWaalsContact C-N 3.31Å; N102-L104 PolarHBondContact O-N 2.97Å; N102-G105 PolarHBondContact O-N 2.84Å; N102-W106 WeakPolarHBondContact O-CB 3.13Å; N102-W106 PolarHBondContact O-N 3.38Å; N102-A126 HydrophobicContact CB-CB 3.87Å; N102-M131 HydrophobicContact CB-CE 4Å; N102-M131 HydrophobicContact CB-SD 3.41Å; N102-M131 WeakPolarHBondContact CB-SD 3.43Å; N102-A134 HydrophobicContact CB-CB 4.41Å; N102-A134 WeakPolarHBondContact OD1-CA 3.4Å; N102-A134 WeakPolarHBondContact OD1-CB 3.28Å; N102-A134 PolarHBondContact OD1-N 3.36Å
103	A	97.4	Very high	95.4	Very high	16 Å²	16	51.1 Å²	51.1	13%	0.132	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-37.6	178.9	0	0	0	0	0	111.9	Y66 L89 F99 A100 W106 T107	Y66-A103 HydrophobicContact CE2-CB 4.24Å; L89-A103 HydrophobicContact CD1-CB 3.97Å; L89-A103 HydrophobicContact CD2-CB 3.92Å; F99-A103 WeakPolarHBondContact O-CB 3.37Å; F99-A103 PolarHBondContact O-N 2.84Å; A100-A103 PolarHBondContact O-N 3.35Å; A103-W106 PolarHBondContact O-N 3Å; A103-T107 WeakPolarHBondContact O-CB 3.44Å; A103-T107 PolarHBondContact O-N 2.87Å; A103-T107 PolarHBondContact O-OG1 3.49Å
104	L	98	Very high	95.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-47.5	174.2	179.5	54.9	0	0	0	111.1	I86 L89 K90 A93 A100 S101 N102 W106 T107 L108 W122	I86-L104 HydrophobicContact CB-CD1 4.22Å; I86-L104 HydrophobicContact CG1-CD1 4.16Å; I86-L104 HydrophobicContact CG2-CD1 3.98Å; L89-L104 HydrophobicContact CB-CB 4.02Å; L89-L104 HydrophobicContact CB-CD1 4.32Å; K90-L104 HydrophobicContact CB-CD2 3.75Å; K90-L104 HydrophobicContact CG-CD2 4.12Å; A93-L104 HydrophobicContact CB-CD2 4.28Å; A100-L104 WeakPolarHBondContact O-CB 3.07Å; A100-L104 PolarHBondContact O-N 2.9Å; S101-L104 PolarHBondContact O-N 2.75Å; N102-L104 VanDerWaalsContact C-N 3.31Å; N102-L104 PolarHBondContact O-N 2.97Å; L104-W106 VanDerWaalsContact C-N 3.27Å; L104-W106 PolarHBondContact O-N 2.61Å; L104-T107 PolarHBondContact O-N 3.06Å; L104-L108 HydrophobicContact CD1-CD1 3.79Å; L104-L108 HydrophobicContact CD1-CG 4.04Å; L104-L108 HydrophobicContact CG-CD1 3.83Å; L104-L108 WeakPolarHBondContact O-CB 3.42Å; L104-L108 WeakPolarHBondContact O-CD1 3.31Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.21Å; L104-W122 HydrophobicContact CB-CG 4.43Å; L104-W122 HydrophobicContact CD2-CD2 3.58Å; L104-W122 HydrophobicContact CD2-CE3 4.26Å; L104-W122 HydrophobicContact CD2-CG 3.78Å; L104-W122 HydrophobicContact CD2-CH2 4.47Å; L104-W122 HydrophobicContact CD2-CZ2 3.83Å; L104-W122 HydrophobicContact CG-CD2 4.29Å; L104-W122 HydrophobicContact CG-CG 3.95Å
105	G	97.9	Very high	95.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.1	-44.6	173.8	0	0	0	0	0	112	S101 N102 L108 D109 A119 Y123	S101-G105 PolarHBondContact O-N 3.03Å; N102-G105 PolarHBondContact O-N 2.84Å; G105-L108 PolarHBondContact O-N 3.12Å; G105-D109 VanDerWaalsContact O-CB 3.26Å; G105-D109 WeakPolarHBondContact O-CB 3.17Å; G105-D109 PolarHBondContact O-N 2.9Å; G105-A119 WeakPolarHBondContact O-CB 3.39Å; G105-Y123 VanDerWaalsContact C-CE1 3.46Å
106	W	96.6	Very high	95.2	Very high	93 Å²	93	49 Å²	49	35%	0.352	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-44	177.2	-175.2	93.2	0	0	0	113.5	N102 A103 L104 D109 R110 Y123	N102-W106 WeakPolarHBondContact O-CB 3.13Å; N102-W106 PolarHBondContact O-N 3.38Å; A103-W106 PolarHBondContact O-N 3Å; L104-W106 VanDerWaalsContact C-N 3.27Å; L104-W106 PolarHBondContact O-N 2.61Å; W106-D109 PolarHBondContact O-N 3.16Å; W106-R110 VanDerWaalsContact CE2-CD 3.47Å; W106-R110 PolarHBondContact O-N 3.16Å; W106-R110 VanDerWaalsContact O-N 3.11Å; W106-Y123 WeakPolarHBondContact CA-OH 3.35Å; W106-Y123 HydrophobicContact CB-CE1 4.35Å; W106-Y123 PolarHBondContact N-OH 3.41Å
107	T	96.3	Very high	95.3	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-39.8	179.6	-52.7	0	0	0	0	111.2	T73 A85 I86 A103 L104 D109 G111	T73-T107 HydrophobicContact CG2-CG2 4.46Å; A85-T107 HydrophobicContact CB-CG2 4.2Å; I86-T107 HydrophobicContact CD1-CG2 4.34Å; I86-T107 HydrophobicContact CG1-CG2 3.83Å; A103-T107 WeakPolarHBondContact O-CB 3.44Å; A103-T107 PolarHBondContact O-N 2.87Å; A103-T107 PolarHBondContact O-OG1 3.49Å; L104-T107 PolarHBondContact O-N 3.06Å; T107-D109 VanDerWaalsContact C-N 3.33Å; T107-D109 PolarHBondContact O-N 3.17Å; T107-G111 PolarHBondContact O-N 3.08Å
108	L	97.7	Very high	95.4	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-69.9	-27.6	176.6	-69.3	164.4	0	0	0	113.2	I86 L104 G105 P114 N115 E118 A119	I86-L108 HydrophobicContact CD1-CD2 3.74Å; I86-L108 HydrophobicContact CD1-CG 4.45Å; I86-L108 HydrophobicContact CG1-CD2 4.1Å; I86-L108 HydrophobicContact CG1-CG 4.42Å; I86-L108 HydrophobicContact CG2-CD2 4.4Å; L104-L108 HydrophobicContact CD1-CD1 3.79Å; L104-L108 HydrophobicContact CD1-CG 4.04Å; L104-L108 HydrophobicContact CG-CD1 3.83Å; L104-L108 WeakPolarHBondContact O-CB 3.42Å; L104-L108 WeakPolarHBondContact O-CD1 3.31Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.21Å; G105-L108 PolarHBondContact O-N 3.12Å; L108-P114 CarbonylContact O-C 3.47Å; L108-P114 WeakPolarHBondContact O-CA 3.45Å; L108-N115 HydrophobicContact CD2-CB 4.09Å; L108-N115 PolarHBondContact O-N 3.43Å; L108-E118 HydrophobicContact CD1-CB 4.02Å; L108-E118 HydrophobicContact CD1-CG 3.68Å; L108-A119 HydrophobicContact CB-CB 3.83Å
109	D	96	Very high	95.5	Very high	10 Å²	10	53 Å²	53	5%	0.053	26%	0.263	C	S	.	.	H	α-helix	trans	-80.7	-35.2	-179.8	174.6	36.8	0	0	0	112.9	G105 W106 T107 P114 Y116 A119 Y123	G105-D109 VanDerWaalsContact O-CB 3.26Å; G105-D109 WeakPolarHBondContact O-CB 3.17Å; G105-D109 PolarHBondContact O-N 2.9Å; W106-D109 PolarHBondContact O-N 3.16Å; T107-D109 VanDerWaalsContact C-N 3.33Å; T107-D109 PolarHBondContact O-N 3.17Å; D109-P114 WeakPolarHBondContact O-CB 3.3Å; D109-Y116 WeakPolarHBondContact O-CE1 3.48Å; D109-Y116 WeakPolarHBondContact OD1-CE1 3.23Å; D109-A119 HydrophobicContact CB-CB 4.17Å; D109-Y123 HydrophobicContact CB-CE2 4.11Å; D109-Y123 PolarHBondContact OD2-OH 3.19Å; D109-Y123 VanDerWaalsContact OD2-OH 3.08Å
110	R	89.8	Confident	95.6	Very high	136 Å²	136	48.4 Å²	48.4	51%	0.513	24%	0.244	S	C	.	.	H	α-helix	trans	-110.3	2.4	-171.7	-72.5	178.4	172	70.3	4.1	115.9	W106	W106-R110 VanDerWaalsContact CE2-CD 3.47Å; W106-R110 PolarHBondContact O-N 3.16Å; W106-R110 VanDerWaalsContact O-N 3.11Å
111	G	84.7	Confident	95.6	Very high	18 Å²	18	52.2 Å²	52.2	19%	0.186	27%	0.267	C	S	.	.	S	Bend	trans	-65.3	169.2	174.9	0	0	0	0	0	113.3	T107 A113 P114	T107-G111 PolarHBondContact O-N 3.08Å; G111-A113 PolarHBondContact O-N 3.23Å; G111-P114 VanDerWaalsContact O-CD 3.27Å; G111-P114 WeakPolarHBondContact O-CD 3.18Å; G111-P114 VanDerWaalsContact O-CG 3.32Å; G111-P114 WeakPolarHBondContact O-CG 3.44Å
112	E	85.3	Confident	95.6	Very high	202 Å²	202	53.2 Å²	53.2	94%	0.944	27%	0.27	S	S	*	.	S	Bend	trans	-59.9	-30.6	176.9	-63.7	-177.1	176.5	0	0	112.9
113	A	90.5	Very high	95.7	Very high	94 Å²	94	52.1 Å²	52.1	78%	0.777	27%	0.265	S	S	*	.	S	Bend	trans	-124.7	84.3	172.8	0	0	0	0	0	110	G111 N115	G111-A113 PolarHBondContact O-N 3.23Å; A113-N115 PolarHBondContact O-N 3.38Å
114	P	94.6	Very high	95.7	Very high	48 Å²	48	53.2 Å²	53.2	31%	0.312	27%	0.267	S	S	.	.			trans	-61.6	135.3	-175.5	-25.9	35.4	0	0	0	113.4	L108 D109 G111 Y116	L108-P114 CarbonylContact O-C 3.47Å; L108-P114 WeakPolarHBondContact O-CA 3.45Å; D109-P114 WeakPolarHBondContact O-CB 3.3Å; G111-P114 VanDerWaalsContact O-CD 3.27Å; G111-P114 WeakPolarHBondContact O-CD 3.18Å; G111-P114 VanDerWaalsContact O-CG 3.32Å; G111-P114 WeakPolarHBondContact O-CG 3.44Å; P114-Y116 HydrophobicContact CB-CD1 3.81Å; P114-Y116 HydrophobicContact CB-CD2 4.37Å; P114-Y116 HydrophobicContact CB-CE1 3.35Å; P114-Y116 HydrophobicContact CB-CE2 3.96Å; P114-Y116 HydrophobicContact CB-CG 4.3Å; P114-Y116 VanDerWaalsContact CB-CZ 3.43Å; P114-Y116 HydrophobicContact CG-CE1 4.05Å
115	N	97.3	Very high	95.7	Very high	67 Å²	67	56.7 Å²	56.7	36%	0.358	29%	0.285	S	S	.	.			trans	-104.4	75.4	168.6	-174.3	-5.8	0	0	0	109.7	L108 A113 K117 E118 A119	L108-N115 HydrophobicContact CD2-CB 4.09Å; L108-N115 PolarHBondContact O-N 3.43Å; A113-N115 PolarHBondContact O-N 3.38Å; N115-K117 VanDerWaalsContact C-N 3.26Å; N115-K117 PolarHBondContact O-N 3.22Å; N115-E118 HydrophobicContact CB-CB 4.4Å; N115-E118 WeakPolarHBondContact ND2-CB 3.17Å; N115-E118 PolarHBondContact ND2-OE2 2.9Å; N115-E118 PolarHBondContact O-N 3.27Å; N115-E118 PolarHBondContact OD1-N 2.91Å; N115-A119 WeakPolarHBondContact O-CB 3.15Å; N115-A119 PolarHBondContact O-N 3.21Å
116	Y	98.3	Very high	95.8	Very high	80 Å²	80	56.7 Å²	56.7	31%	0.314	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-33.6	-175.2	-61.5	-49.8	0	0	0	114.1	D109 P114 A119 V120 M141 N146	D109-Y116 WeakPolarHBondContact O-CE1 3.48Å; D109-Y116 WeakPolarHBondContact OD1-CE1 3.23Å; P114-Y116 HydrophobicContact CB-CD1 3.81Å; P114-Y116 HydrophobicContact CB-CD2 4.37Å; P114-Y116 HydrophobicContact CB-CE1 3.35Å; P114-Y116 HydrophobicContact CB-CE2 3.96Å; P114-Y116 HydrophobicContact CB-CG 4.3Å; P114-Y116 VanDerWaalsContact CB-CZ 3.43Å; P114-Y116 HydrophobicContact CG-CE1 4.05Å; Y116-A119 PolarHBondContact O-N 3.46Å; Y116-V120 VanDerWaalsContact O-CG2 3.31Å; Y116-V120 WeakPolarHBondContact O-CG2 3.28Å; Y116-V120 PolarHBondContact O-N 2.91Å; Y116-M141 HydrophobicContact CD1-CE 3.71Å; Y116-M141 HydrophobicContact CG-CE 4.08Å; Y116-N146 HydrophobicContact CD1-CB 4.13Å; Y116-N146 HydrophobicContact CD2-CB 4.22Å; Y116-N146 HydrophobicContact CE1-CB 4.49Å; Y116-N146 HydrophobicContact CG-CB 3.98Å
117	K	98.3	Very high	95.9	Very high	157 Å²	157	52.3 Å²	52.3	68%	0.683	27%	0.268	S	S	*	.	H	α-helix	trans	-64.7	-44.7	179.1	-72.2	-176.4	178.4	179.1	0	111.1	N115	N115-K117 VanDerWaalsContact C-N 3.26Å; N115-K117 PolarHBondContact O-N 3.22Å
118	E	98.1	Very high	95.9	Very high	46 Å²	46	58.4 Å²	58.4	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-72.2	-38.1	176.6	-168.4	175.6	-176.9	0	0	111.4	K90 L108 N115 V120 V121 W122	K90-E118 IonicContact NZ-OE1 3.08Å; K90-E118 PolarHBondContact NZ-OE1 3.03Å; L108-E118 HydrophobicContact CD1-CB 4.02Å; L108-E118 HydrophobicContact CD1-CG 3.68Å; N115-E118 HydrophobicContact CB-CB 4.4Å; N115-E118 WeakPolarHBondContact ND2-CB 3.17Å; N115-E118 PolarHBondContact ND2-OE2 2.9Å; N115-E118 PolarHBondContact O-N 3.27Å; N115-E118 PolarHBondContact OD1-N 2.91Å; E118-V120 VanDerWaalsContact C-N 3.3Å; E118-V120 PolarHBondContact O-N 3.09Å; E118-V121 WeakPolarHBondContact O-CB 3.49Å; E118-V121 PolarHBondContact O-N 3.16Å; E118-V121 VanDerWaalsContact O-N 3.11Å; E118-W122 PolarHBondContact O-N 2.84Å; E118-W122 PolarHBondContact OE1-NE1 2.96Å
119	A	98.5	Very high	95.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-55.9	-44.4	175.9	0	0	0	0	0	112.2	G105 L108 D109 N115 Y116 V121 W122 Y123 M141	G105-A119 WeakPolarHBondContact O-CB 3.39Å; L108-A119 HydrophobicContact CB-CB 3.83Å; D109-A119 HydrophobicContact CB-CB 4.17Å; N115-A119 WeakPolarHBondContact O-CB 3.15Å; N115-A119 PolarHBondContact O-N 3.21Å; Y116-A119 PolarHBondContact O-N 3.46Å; A119-V121 VanDerWaalsContact C-N 3.32Å; A119-V121 PolarHBondContact O-N 2.94Å; A119-W122 PolarHBondContact O-N 3.01Å; A119-Y123 HydrophobicContact CB-CD2 4.4Å; A119-Y123 HydrophobicContact CB-CE2 4.25Å; A119-Y123 WeakPolarHBondContact O-CB 3.34Å; A119-Y123 VanDerWaalsContact O-CD2 3.29Å; A119-Y123 WeakPolarHBondContact O-CD2 3.44Å; A119-Y123 PolarHBondContact O-N 3.38Å; A119-M141 HydrophobicContact CB-CE 4.32Å
120	V	98.6	Very high	96	Very high	13 Å²	13	61.8 Å²	61.8	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-42.5	176.7	166.9	0	0	0	0	111.9	Y116 E118 W122 Y123 Q124 L138 M141 V148	Y116-V120 VanDerWaalsContact O-CG2 3.31Å; Y116-V120 WeakPolarHBondContact O-CG2 3.28Å; Y116-V120 PolarHBondContact O-N 2.91Å; E118-V120 VanDerWaalsContact C-N 3.3Å; E118-V120 PolarHBondContact O-N 3.09Å; V120-W122 VanDerWaalsContact C-N 3.33Å; V120-W122 PolarHBondContact O-N 3.31Å; V120-Y123 PolarHBondContact O-N 3.03Å; V120-Q124 VanDerWaalsContact O-CB 3.27Å; V120-Q124 WeakPolarHBondContact O-CB 3.35Å; V120-Q124 PolarHBondContact O-N 2.85Å; V120-L138 HydrophobicContact CG1-CD1 4.02Å; V120-M141 HydrophobicContact CG2-CB 3.86Å; V120-M141 HydrophobicContact CG2-CE 3.71Å; V120-M141 HydrophobicContact CG2-CG 3.89Å; V120-V148 HydrophobicContact CB-CG1 4.3Å; V120-V148 HydrophobicContact CG1-CG1 3.67Å; V120-V148 HydrophobicContact CG2-CG1 3.99Å; V120-V148 HydrophobicContact CG2-CG2 4.35Å
121	V	98.4	Very high	96.4	Very high	80 Å²	80	56.8 Å²	56.8	49%	0.485	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-45.8	179.7	174.6	0	0	0	0	110.6	E118 A119 Q124 I125	E118-V121 WeakPolarHBondContact O-CB 3.49Å; E118-V121 PolarHBondContact O-N 3.16Å; E118-V121 VanDerWaalsContact O-N 3.11Å; A119-V121 VanDerWaalsContact C-N 3.32Å; A119-V121 PolarHBondContact O-N 2.94Å; V121-Q124 WeakPolarHBondContact O-CB 3.37Å; V121-Q124 PolarHBondContact O-N 2.99Å; V121-I125 HydrophobicContact CG1-CD1 4.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 3Å; V121-I125 VanDerWaalsContact O-N 3.15Å
122	W	98.4	Very high	97	Very high	21 Å²	21	57 Å²	57	8%	0.08	31%	0.308	C	S	.	.	H	α-helix	trans	-73.2	-36.9	-179.1	-67.1	115.5	0	0	0	113.3	K90 A93 L94 S101 L104 E118 A119 V120 Q124 I125 A126	K90-W122 HydrophobicContact CG-CZ2 4.08Å; A93-W122 HydrophobicContact CB-CE3 3.88Å; A93-W122 HydrophobicContact CB-CH2 3.94Å; A93-W122 HydrophobicContact CB-CZ3 3.47Å; A93-W122 VanDerWaalsContact CB-CZ3 3.47Å; L94-W122 HydrophobicContact CD2-CH2 3.99Å; L94-W122 HydrophobicContact CG-CH2 4.15Å; S101-W122 WeakPolarHBondContact O-CB 3.32Å; L104-W122 HydrophobicContact CB-CG 4.43Å; L104-W122 HydrophobicContact CD2-CD2 3.58Å; L104-W122 HydrophobicContact CD2-CE3 4.26Å; L104-W122 HydrophobicContact CD2-CG 3.78Å; L104-W122 HydrophobicContact CD2-CH2 4.47Å; L104-W122 HydrophobicContact CD2-CZ2 3.83Å; L104-W122 HydrophobicContact CG-CD2 4.29Å; L104-W122 HydrophobicContact CG-CG 3.95Å; E118-W122 PolarHBondContact O-N 2.84Å; E118-W122 PolarHBondContact OE1-NE1 2.96Å; A119-W122 PolarHBondContact O-N 3.01Å; V120-W122 VanDerWaalsContact C-N 3.33Å; V120-W122 PolarHBondContact O-N 3.31Å; W122-Q124 VanDerWaalsContact C-N 3.32Å; W122-I125 HydrophobicContact CE3-CD1 3.7Å; W122-I125 HydrophobicContact CZ3-CD1 3.82Å; W122-I125 PolarHBondContact O-N 3.24Å; W122-A126 PolarHBondContact O-N 3.01Å; W122-A126 VanDerWaalsContact O-N 3.15Å
123	Y	98.6	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-39	169.8	-72.3	-40.2	0	0	0	111.9	G105 W106 D109 A119 V120 A126 A127 N137 M141	G105-Y123 VanDerWaalsContact C-CE1 3.46Å; W106-Y123 WeakPolarHBondContact CA-OH 3.35Å; W106-Y123 HydrophobicContact CB-CE1 4.35Å; W106-Y123 PolarHBondContact N-OH 3.41Å; D109-Y123 HydrophobicContact CB-CE2 4.11Å; D109-Y123 PolarHBondContact OD2-OH 3.19Å; D109-Y123 VanDerWaalsContact OD2-OH 3.08Å; A119-Y123 HydrophobicContact CB-CD2 4.4Å; A119-Y123 HydrophobicContact CB-CE2 4.25Å; A119-Y123 WeakPolarHBondContact O-CB 3.34Å; A119-Y123 VanDerWaalsContact O-CD2 3.29Å; A119-Y123 WeakPolarHBondContact O-CD2 3.44Å; A119-Y123 PolarHBondContact O-N 3.38Å; V120-Y123 PolarHBondContact O-N 3.03Å; Y123-A126 PolarHBondContact O-N 3.25Å; Y123-A127 WeakPolarHBondContact O-CB 3.39Å; Y123-A127 PolarHBondContact O-N 2.9Å; Y123-N137 HydrophobicContact CD1-CB 3.94Å; Y123-N137 HydrophobicContact CD2-CB 4.13Å; Y123-N137 HydrophobicContact CE1-CB 3.64Å; Y123-N137 WeakPolarHBondContact CE1-ND2 3.41Å; Y123-N137 HydrophobicContact CE2-CB 3.84Å; Y123-N137 HydrophobicContact CG-CB 4.16Å; Y123-M141 HydrophobicContact CD2-CG 4.13Å; Y123-M141 HydrophobicContact CE2-CG 4.31Å; Y123-M141 HydrophobicContact CE2-SD 4.42Å
124	Q	98.5	Very high	98	Very high	38 Å²	38	49.6 Å²	49.6	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-49.1	176.9	-173.9	66	55	0	0	111.2	V120 V121 W122 A126 A127 E128 L138	V120-Q124 VanDerWaalsContact O-CB 3.27Å; V120-Q124 WeakPolarHBondContact O-CB 3.35Å; V120-Q124 PolarHBondContact O-N 2.85Å; V121-Q124 WeakPolarHBondContact O-CB 3.37Å; V121-Q124 PolarHBondContact O-N 2.99Å; W122-Q124 VanDerWaalsContact C-N 3.32Å; Q124-A126 VanDerWaalsContact C-N 3.35Å; Q124-A126 PolarHBondContact O-N 3.22Å; Q124-A127 PolarHBondContact O-N 3.07Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.27Å; Q124-E128 PolarHBondContact NE2-OE1 3.46Å; Q124-E128 WeakPolarHBondContact O-CB 3.42Å; Q124-E128 VanDerWaalsContact O-CG 3.3Å; Q124-E128 WeakPolarHBondContact O-CG 3.48Å; Q124-E128 PolarHBondContact O-N 3.24Å; Q124-L138 HydrophobicContact CB-CD2 4.49Å; Q124-L138 VanDerWaalsContact OE1-CD2 3.25Å
125	I	98.3	Very high	98.2	Very high	73 Å²	73	47.7 Å²	47.7	37%	0.374	24%	0.239	S	C	.	.	H	α-helix	trans	-57.3	-47.5	177.7	-67.3	164.6	0	0	0	111.1	V121 W122 S129	V121-I125 HydrophobicContact CG1-CD1 4.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 3Å; V121-I125 VanDerWaalsContact O-N 3.15Å; W122-I125 HydrophobicContact CE3-CD1 3.7Å; W122-I125 HydrophobicContact CZ3-CD1 3.82Å; W122-I125 PolarHBondContact O-N 3.24Å; I125-S129 PolarHBondContact O-N 3.35Å
126	A	98.3	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.6	-32.8	179.1	0	0	0	0	0	113.3	N102 W122 Y123 Q124 S129 M131 A134	N102-A126 HydrophobicContact CB-CB 3.87Å; W122-A126 PolarHBondContact O-N 3.01Å; W122-A126 VanDerWaalsContact O-N 3.15Å; Y123-A126 PolarHBondContact O-N 3.25Å; Q124-A126 VanDerWaalsContact C-N 3.35Å; Q124-A126 PolarHBondContact O-N 3.22Å; A126-S129 PolarHBondContact O-N 3.5Å; A126-S129 PolarHBondContact O-OG 3.11Å; A126-M131 VanDerWaalsContact O-CB 3.23Å; A126-M131 WeakPolarHBondContact O-CB 3.17Å; A126-M131 PolarHBondContact O-N 3.2Å; A126-M131 VanDerWaalsContact O-N 3.13Å; A126-A134 HydrophobicContact CB-CB 3.46Å; A126-A134 VanDerWaalsContact CB-CB 3.46Å
127	A	98.6	Very high	98.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-69.7	-39.5	178.5	0	0	0	0	0	111.6	Y123 Q124 S129 G130 A134 Q135 L138 W158	Y123-A127 WeakPolarHBondContact O-CB 3.39Å; Y123-A127 PolarHBondContact O-N 2.9Å; Q124-A127 PolarHBondContact O-N 3.07Å; A127-S129 VanDerWaalsContact C-N 3.29Å; A127-S129 PolarHBondContact O-N 3.3Å; A127-G130 PolarHBondContact O-N 3.21Å; A127-A134 HydrophobicContact CB-CB 4.14Å; A127-Q135 HydrophobicContact CB-CB 4.4Å; A127-Q135 HydrophobicContact CB-CG 3.7Å; A127-Q135 PolarHBondContact O-NE2 2.85Å; A127-L138 HydrophobicContact CB-CD2 3.82Å; A127-W158 HydrophobicContact CB-CE3 4.2Å; A127-W158 HydrophobicContact CB-CH2 4.44Å; A127-W158 HydrophobicContact CB-CZ3 3.96Å
128	E	98.2	Very high	98.3	Very high	133 Å²	133	34.8 Å²	34.8	62%	0.621	18%	0.183	S	C	*	.	H	α-helix	trans	-66.2	-29.7	174.6	-74.5	173.5	-179.7	0	0	112.4	Q124 G130 W158	Q124-E128 WeakPolarHBondContact CG-OE1 3.27Å; Q124-E128 PolarHBondContact NE2-OE1 3.46Å; Q124-E128 WeakPolarHBondContact O-CB 3.42Å; Q124-E128 VanDerWaalsContact O-CG 3.3Å; Q124-E128 WeakPolarHBondContact O-CG 3.48Å; Q124-E128 PolarHBondContact O-N 3.24Å; E128-G130 PolarHBondContact O-N 3.35Å; E128-W158 HydrophobicContact CG-CH2 4.33Å
129	S	97.1	Very high	98.3	Very high	62 Å²	62	32.6 Å²	32.6	43%	0.434	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	3.6	171.6	85.4	0	0	0	0	113.6	T98 I125 A126 A127	T98-S129 WeakPolarHBondContact CG2-OG 3.47Å; I125-S129 PolarHBondContact O-N 3.35Å; A126-S129 PolarHBondContact O-N 3.5Å; A126-S129 PolarHBondContact O-OG 3.11Å; A127-S129 VanDerWaalsContact C-N 3.29Å; A127-S129 PolarHBondContact O-N 3.3Å
130	G	97.6	Very high	98.3	Very high	29 Å²	29	36.9 Å²	36.9	30%	0.299	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	4.8	177.7	0	0	0	0	0	115.1	A127 E128 S132 Q165	A127-G130 PolarHBondContact O-N 3.21Å; E128-G130 PolarHBondContact O-N 3.35Å; G130-S132 PolarHBondContact O-N 3.38Å; G130-S132 VanDerWaalsContact O-N 3.17Å; G130-Q165 PolarHBondContact O-NE2 2.89Å; G130-Q165 PolarHBondContact O-OE1 2.96Å
131	M	98.2	Very high	98.3	Very high	31 Å²	31	36.3 Å²	36.3	15%	0.153	19%	0.185	C	C	.	.			trans	-71.7	113.2	-177	-168.2	175.9	-172.2	0	0	111.4	F99 N102 A126 Y133 A134 Q135	F99-M131 HydrophobicContact CD1-CE 3.59Å; F99-M131 HydrophobicContact CD1-SD 4.34Å; F99-M131 HydrophobicContact CE1-CE 3.94Å; N102-M131 HydrophobicContact CB-CE 4Å; N102-M131 HydrophobicContact CB-SD 3.41Å; N102-M131 WeakPolarHBondContact CB-SD 3.43Å; A126-M131 VanDerWaalsContact O-CB 3.23Å; A126-M131 WeakPolarHBondContact O-CB 3.17Å; A126-M131 PolarHBondContact O-N 3.2Å; A126-M131 VanDerWaalsContact O-N 3.13Å; M131-Y133 VanDerWaalsContact C-N 3.31Å; M131-Y133 HydrophobicContact CE-CD2 3.9Å; M131-Y133 HydrophobicContact CG-CD2 4.46Å; M131-Y133 PolarHBondContact O-N 3.23Å; M131-A134 HydrophobicContact CB-CB 4.12Å; M131-A134 HydrophobicContact CG-CB 4.45Å; M131-A134 PolarHBondContact O-N 3.27Å; M131-A134 VanDerWaalsContact O-N 3.13Å; M131-Q135 WeakPolarHBondContact O-CG 3.42Å; M131-Q135 PolarHBondContact O-N 2.93Å
132	S	98.4	Very high	98.3	Very high	21 Å²	21	34.1 Å²	34.1	15%	0.147	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-35.5	-175.8	63	0	0	0	0	113.8	G130 Q135 N136 A162	G130-S132 PolarHBondContact O-N 3.38Å; G130-S132 VanDerWaalsContact O-N 3.17Å; S132-Q135 PolarHBondContact O-N 2.99Å; S132-N136 WeakPolarHBondContact O-CB 3.46Å; S132-N136 PolarHBondContact O-N 3.44Å; S132-A162 WeakPolarHBondContact O-CB 3.44Å
133	Y	97.7	Very high	98.3	Very high	141 Å²	141	35.6 Å²	35.6	55%	0.553	17%	0.174	S	C	*	.	H	α-helix	trans	-60.8	-46.9	174	-64	-76.8	0	0	0	112	M131 N136 N137 H167	M131-Y133 VanDerWaalsContact C-N 3.31Å; M131-Y133 HydrophobicContact CE-CD2 3.9Å; M131-Y133 HydrophobicContact CG-CD2 4.46Å; M131-Y133 PolarHBondContact O-N 3.23Å; Y133-N136 PolarHBondContact O-N 2.87Å; Y133-N137 WeakPolarHBondContact O-CB 3.36Å; Y133-N137 VanDerWaalsContact O-CG 3.22Å; Y133-N137 PolarHBondContact O-N 2.98Å; Y133-N137 PolarHBondContact O-ND2 3.32Å; Y133-H167 AromaticContact CD1-CD2 3.88Å; Y133-H167 AromaticContact CD1-NE2 3.4Å; Y133-H167 WeakPolarHBondContact CD1-NE2 3.31Å; Y133-H167 AromaticContact CE1-NE2 3.87Å
134	A	98.5	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-39.9	178.9	0	0	0	0	0	111.5	N102 A126 A127 M131 N137 L138	N102-A134 HydrophobicContact CB-CB 4.41Å; N102-A134 WeakPolarHBondContact OD1-CA 3.4Å; N102-A134 WeakPolarHBondContact OD1-CB 3.28Å; N102-A134 PolarHBondContact OD1-N 3.36Å; A126-A134 HydrophobicContact CB-CB 3.46Å; A126-A134 VanDerWaalsContact CB-CB 3.46Å; A127-A134 HydrophobicContact CB-CB 4.14Å; M131-A134 HydrophobicContact CB-CB 4.12Å; M131-A134 HydrophobicContact CG-CB 4.45Å; M131-A134 PolarHBondContact O-N 3.27Å; M131-A134 VanDerWaalsContact O-N 3.13Å; A134-N137 PolarHBondContact O-N 3.06Å; A134-L138 WeakPolarHBondContact O-CB 3.38Å; A134-L138 PolarHBondContact O-N 3.14Å
135	Q	98.8	Very high	98.3	Very high	8 Å²	8	38 Å²	38	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-44.9	173.6	-69.8	172.3	-3.7	0	0	111.7	A127 M131 S132 L138 G139 W158 Q161 A162	A127-Q135 HydrophobicContact CB-CB 4.4Å; A127-Q135 HydrophobicContact CB-CG 3.7Å; A127-Q135 PolarHBondContact O-NE2 2.85Å; M131-Q135 WeakPolarHBondContact O-CG 3.42Å; M131-Q135 PolarHBondContact O-N 2.93Å; S132-Q135 PolarHBondContact O-N 2.99Å; Q135-L138 PolarHBondContact O-N 3.3Å; Q135-G139 PolarHBondContact O-N 2.98Å; Q135-W158 HydrophobicContact CB-CE3 4.38Å; Q135-W158 HydrophobicContact CG-CE3 3.95Å; Q135-W158 HydrophobicContact CG-CZ3 4.29Å; Q135-W158 WeakPolarHBondContact O-CB 3.42Å; Q135-Q161 HydrophobicContact CG-CB 4.48Å; Q135-Q161 VanDerWaalsContact OE1-CB 3.31Å; Q135-A162 HydrophobicContact CB-CB 3.82Å; Q135-A162 VanDerWaalsContact OE1-N 3.07Å
136	N	98.7	Very high	98.3	Very high	14 Å²	14	36.1 Å²	36.1	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-46.7	174.9	177.6	67.9	0	0	0	112	S132 Y133 L138 G139 W140 Y159 A162 A170 N173	S132-N136 WeakPolarHBondContact O-CB 3.46Å; S132-N136 PolarHBondContact O-N 3.44Å; Y133-N136 PolarHBondContact O-N 2.87Å; N136-L138 PolarHBondContact O-N 3.2Å; N136-G139 PolarHBondContact O-N 3.11Å; N136-W140 PolarHBondContact O-N 3.47Å; N136-Y159 VanDerWaalsContact O-CE1 3.26Å; N136-Y159 WeakPolarHBondContact O-CE1 3.27Å; N136-Y159 WeakPolarHBondContact OD1-CE1 3.24Å; N136-A162 HydrophobicContact CB-CB 4.3Å; N136-A170 HydrophobicContact CB-CB 4.14Å; N136-A170 WeakPolarHBondContact OD1-CA 3.36Å; N136-A170 PolarHBondContact OD1-N 3.15Å; N136-N173 PolarHBondContact OD1-ND2 2.84Å; N136-N173 VanDerWaalsContact OD1-ND2 3.08Å
137	N	98.4	Very high	98.2	Very high	20 Å²	20	37.5 Å²	37.5	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-44.4	179.6	-68.6	-22.4	0	0	0	111.4	Y123 Y133 A134 G139 W140 M141	Y123-N137 HydrophobicContact CD1-CB 3.94Å; Y123-N137 HydrophobicContact CD2-CB 4.13Å; Y123-N137 HydrophobicContact CE1-CB 3.64Å; Y123-N137 WeakPolarHBondContact CE1-ND2 3.41Å; Y123-N137 HydrophobicContact CE2-CB 3.84Å; Y123-N137 HydrophobicContact CG-CB 4.16Å; Y133-N137 WeakPolarHBondContact O-CB 3.36Å; Y133-N137 VanDerWaalsContact O-CG 3.22Å; Y133-N137 PolarHBondContact O-N 2.98Å; Y133-N137 PolarHBondContact O-ND2 3.32Å; A134-N137 PolarHBondContact O-N 3.06Å; N137-G139 VanDerWaalsContact C-N 3.34Å; N137-G139 PolarHBondContact O-N 3.17Å; N137-W140 WeakPolarHBondContact O-CA 3.24Å; N137-W140 WeakPolarHBondContact O-CB 3.27Å; N137-W140 PolarHBondContact O-N 2.9Å; N137-W140 VanDerWaalsContact O-N 3.07Å; N137-M141 WeakPolarHBondContact O-CG 3.5Å; N137-M141 PolarHBondContact O-N 3.4Å
138	L	98.5	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-41.4	176.1	-174.8	61.8	0	0	0	111.9	V120 Q124 A127 A134 Q135 N136 W140 M141 Y142 W158	V120-L138 HydrophobicContact CG1-CD1 4.02Å; Q124-L138 HydrophobicContact CB-CD2 4.49Å; Q124-L138 VanDerWaalsContact OE1-CD2 3.25Å; A127-L138 HydrophobicContact CB-CD2 3.82Å; A134-L138 WeakPolarHBondContact O-CB 3.38Å; A134-L138 PolarHBondContact O-N 3.14Å; Q135-L138 PolarHBondContact O-N 3.3Å; N136-L138 PolarHBondContact O-N 3.2Å; L138-W140 VanDerWaalsContact C-N 3.26Å; L138-W140 PolarHBondContact O-N 3.06Å; L138-M141 WeakPolarHBondContact O-CB 3.4Å; L138-M141 PolarHBondContact O-N 2.87Å; L138-Y142 HydrophobicContact CD1-CD2 4.18Å; L138-Y142 HydrophobicContact CD1-CE2 3.68Å; L138-Y142 HydrophobicContact CD2-CE2 4.4Å; L138-Y142 HydrophobicContact CG-CD2 4.08Å; L138-Y142 HydrophobicContact CG-CE2 3.78Å; L138-Y142 VanDerWaalsContact O-CD2 3.24Å; L138-Y142 WeakPolarHBondContact O-CD2 3.32Å; L138-Y142 PolarHBondContact O-N 3.18Å; L138-Y142 VanDerWaalsContact O-N 3.11Å; L138-W158 HydrophobicContact CD2-CD2 3.68Å; L138-W158 HydrophobicContact CD2-CE3 4.28Å; L138-W158 HydrophobicContact CD2-CG 3.99Å; L138-W158 HydrophobicContact CD2-CH2 4.36Å; L138-W158 HydrophobicContact CD2-CZ2 3.8Å; L138-W158 HydrophobicContact CG-CD2 4.4Å; L138-W158 HydrophobicContact CG-CG 4.2Å
139	G	98.7	Very high	98.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-39.4	172.2	0	0	0	0	0	112.4	Q135 N136 N137 Y142 R143 A155 Y159	Q135-G139 PolarHBondContact O-N 2.98Å; N136-G139 PolarHBondContact O-N 3.11Å; N137-G139 VanDerWaalsContact C-N 3.34Å; N137-G139 PolarHBondContact O-N 3.17Å; G139-Y142 PolarHBondContact O-N 3.37Å; G139-R143 WeakPolarHBondContact O-CB 3.33Å; G139-R143 PolarHBondContact O-N 3.33Å; G139-A155 VanDerWaalsContact O-CB 3.3Å; G139-A155 WeakPolarHBondContact O-CB 3.45Å; G139-Y159 VanDerWaalsContact C-CZ 3.4Å
140	W	98.5	Very high	98.3	Very high	90 Å²	90	39.7 Å²	39.7	34%	0.341	22%	0.218	S	C	.	.	H	α-helix	trans	-66.8	-38.6	175.3	-173.5	97.2	0	0	0	112.9	N136 N137 L138 Y142 R143 N144 N146 Y159	N136-W140 PolarHBondContact O-N 3.47Å; N137-W140 WeakPolarHBondContact O-CA 3.24Å; N137-W140 WeakPolarHBondContact O-CB 3.27Å; N137-W140 PolarHBondContact O-N 2.9Å; N137-W140 VanDerWaalsContact O-N 3.07Å; L138-W140 VanDerWaalsContact C-N 3.26Å; L138-W140 PolarHBondContact O-N 3.06Å; W140-Y142 VanDerWaalsContact C-N 3.35Å; W140-Y142 PolarHBondContact O-N 2.9Å; W140-R143 PolarHBondContact O-N 3.23Å; W140-N144 VanDerWaalsContact CD2-ND2 3.27Å; W140-N144 WeakPolarHBondContact CZ2-ND2 3.49Å; W140-N144 PolarHBondContact NE1-ND2 2.82Å; W140-N144 VanDerWaalsContact NE1-ND2 3.16Å; W140-N144 PolarHBondContact O-N 3Å; W140-N144 VanDerWaalsContact O-N 3.12Å; W140-N144 PolarHBondContact O-ND2 2.94Å; W140-N144 VanDerWaalsContact O-ND2 3.17Å; W140-N146 VanDerWaalsContact CH2-ND2 3.27Å; W140-N146 WeakPolarHBondContact CH2-ND2 3.35Å; W140-N146 HydrophobicContact CZ3-CB 4.29Å; W140-N146 WeakPolarHBondContact CZ3-ND2 3.19Å; W140-Y159 WeakPolarHBondContact CA-OH 3.46Å; W140-Y159 WeakPolarHBondContact CB-OH 3.3Å; W140-Y159 PolarHBondContact N-OH 3.32Å
141	M	98.6	Very high	98.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-46.3	173.8	-60.5	-54.3	-88.8	0	0	111.2	Y116 A119 V120 Y123 N137 L138 G145 N146 V148	Y116-M141 HydrophobicContact CD1-CE 3.71Å; Y116-M141 HydrophobicContact CG-CE 4.08Å; A119-M141 HydrophobicContact CB-CE 4.32Å; V120-M141 HydrophobicContact CG2-CB 3.86Å; V120-M141 HydrophobicContact CG2-CE 3.71Å; V120-M141 HydrophobicContact CG2-CG 3.89Å; Y123-M141 HydrophobicContact CD2-CG 4.13Å; Y123-M141 HydrophobicContact CE2-CG 4.31Å; Y123-M141 HydrophobicContact CE2-SD 4.42Å; N137-M141 WeakPolarHBondContact O-CG 3.5Å; N137-M141 PolarHBondContact O-N 3.4Å; L138-M141 WeakPolarHBondContact O-CB 3.4Å; L138-M141 PolarHBondContact O-N 2.87Å; M141-G145 WeakPolarHBondContact O-CA 3.11Å; M141-G145 PolarHBondContact O-N 3.38Å; M141-N146 HydrophobicContact CE-CB 3.72Å; M141-N146 VanDerWaalsContact CE-O 3.27Å; M141-N146 WeakPolarHBondContact CE-O 3.43Å; M141-N146 PolarHBondContact O-N 3.43Å; M141-N146 HydrophobicContact SD-CB 3.87Å; M141-V148 HydrophobicContact CB-CG2 4.31Å
142	Y	98.8	Very high	98.4	Very high	34 Å²	34	43 Å²	43	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-69	-37.7	176.8	-76	-67	0	0	0	113.4	L138 G139 W140 N144 V148 K150 D151 L154 W158	L138-Y142 HydrophobicContact CD1-CD2 4.18Å; L138-Y142 HydrophobicContact CD1-CE2 3.68Å; L138-Y142 HydrophobicContact CD2-CE2 4.4Å; L138-Y142 HydrophobicContact CG-CD2 4.08Å; L138-Y142 HydrophobicContact CG-CE2 3.78Å; L138-Y142 VanDerWaalsContact O-CD2 3.24Å; L138-Y142 WeakPolarHBondContact O-CD2 3.32Å; L138-Y142 PolarHBondContact O-N 3.18Å; L138-Y142 VanDerWaalsContact O-N 3.11Å; G139-Y142 PolarHBondContact O-N 3.37Å; W140-Y142 VanDerWaalsContact C-N 3.35Å; W140-Y142 PolarHBondContact O-N 2.9Å; Y142-N144 VanDerWaalsContact C-N 3.29Å; Y142-N144 PolarHBondContact O-N 3.14Å; Y142-V148 HydrophobicContact CD1-CB 4.2Å; Y142-V148 HydrophobicContact CD1-CG2 3.62Å; Y142-V148 HydrophobicContact CE1-CB 3.95Å; Y142-V148 HydrophobicContact CE1-CG1 4.16Å; Y142-V148 HydrophobicContact CE1-CG2 3.79Å; Y142-V148 HydrophobicContact CG-CG2 4.16Å; Y142-K150 CarbonylContact O-C 3.58Å; Y142-K150 WeakPolarHBondContact O-CA 3.33Å; Y142-D151 WeakPolarHBondContact CB-O 3.29Å; Y142-D151 HydrophobicContact CD1-CB 4.07Å; Y142-D151 PolarHBondContact O-N 2.81Å; Y142-L154 HydrophobicContact CD1-CB 3.93Å; Y142-L154 HydrophobicContact CD1-CD1 3.87Å; Y142-L154 HydrophobicContact CD2-CB 3.93Å; Y142-L154 HydrophobicContact CE1-CB 4.23Å; Y142-L154 HydrophobicContact CE1-CD1 3.43Å; Y142-L154 VanDerWaalsContact CE1-CD1 3.43Å; Y142-L154 HydrophobicContact CE1-CG 4.47Å; Y142-L154 HydrophobicContact CE2-CB 4.23Å; Y142-L154 HydrophobicContact CE2-CD1 4.35Å; Y142-L154 HydrophobicContact CG-CB 3.78Å; Y142-L154 HydrophobicContact CG-CD1 4.5Å; Y142-W158 AromaticContact CD2-CD1 3.78Å; Y142-W158 AromaticContact CE2-CD1 3.84Å; Y142-W158 AromaticContact CE2-NE1 3.66Å
143	R	98.5	Very high	98.4	Very high	52 Å²	52	44.5 Å²	44.5	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-40.8	177.2	-177.7	-177.2	177.2	169.5	3.7	111.5	G139 W140 K150 Y152 A155 Y159 N173 D176	G139-R143 WeakPolarHBondContact O-CB 3.33Å; G139-R143 PolarHBondContact O-N 3.33Å; W140-R143 PolarHBondContact O-N 3.23Å; R143-K150 WeakPolarHBondContact O-CE 3.32Å; R143-K150 WeakPolarHBondContact O-CG 3.27Å; R143-Y152 HydrophobicContact CG-CD1 4.41Å; R143-Y152 HydrophobicContact CG-CE1 3.98Å; R143-A155 HydrophobicContact CB-CB 4.06Å; R143-Y159 HydrophobicContact CB-CE2 4.42Å; R143-N173 PolarHBondContact NH1-OD1 3.3Å; R143-N173 VanDerWaalsContact NH1-OD1 3.16Å; R143-D176 IonicContact CZ-OD2 2.85Å; R143-D176 IonicContact NH1-OD2 2.73Å; R143-D176 PolarHBondContact NH1-OD2 3.27Å; R143-D176 VanDerWaalsContact NH1-OD2 3.08Å; R143-D176 IonicContact NH2-OD2 2.71Å; R143-D176 PolarHBondContact NH2-OD2 3.49Å
144	N	97.9	Very high	98.4	Very high	63 Å²	63	40.7 Å²	40.7	34%	0.337	23%	0.227	S	C	.	.	H	α-helix	trans	-96.7	-21.1	-174.7	-64.8	-49.7	0	0	0	113.7	W140 Y142 K150	W140-N144 VanDerWaalsContact CD2-ND2 3.27Å; W140-N144 WeakPolarHBondContact CZ2-ND2 3.49Å; W140-N144 PolarHBondContact NE1-ND2 2.82Å; W140-N144 VanDerWaalsContact NE1-ND2 3.16Å; W140-N144 PolarHBondContact O-N 3Å; W140-N144 VanDerWaalsContact O-N 3.12Å; W140-N144 PolarHBondContact O-ND2 2.94Å; W140-N144 VanDerWaalsContact O-ND2 3.17Å; Y142-N144 VanDerWaalsContact C-N 3.29Å; Y142-N144 PolarHBondContact O-N 3.14Å; N144-K150 VanDerWaalsContact O-CE 3.26Å; N144-K150 WeakPolarHBondContact O-CE 3.45Å
145	G	98	Very high	98.4	Very high	27 Å²	27	40.7 Å²	40.7	28%	0.278	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	32.2	-173.5	0	0	0	0	0	112.7	M141 V148	M141-G145 WeakPolarHBondContact O-CA 3.11Å; M141-G145 PolarHBondContact O-N 3.38Å; G145-V148 CarbonylContact C-O 3.55Å; G145-V148 WeakPolarHBondContact CA-O 3.45Å
146	N	97.5	Very high	98.4	Very high	33 Å²	33	41.7 Å²	41.7	18%	0.176	23%	0.231	C	C	.	.	S	Bend	trans	-85.4	116.9	178.1	-72.4	20.5	0	0	0	108.6	Y116 W140 M141 V148	Y116-N146 HydrophobicContact CD1-CB 4.13Å; Y116-N146 HydrophobicContact CD2-CB 4.22Å; Y116-N146 HydrophobicContact CE1-CB 4.49Å; Y116-N146 HydrophobicContact CG-CB 3.98Å; W140-N146 VanDerWaalsContact CH2-ND2 3.27Å; W140-N146 WeakPolarHBondContact CH2-ND2 3.35Å; W140-N146 HydrophobicContact CZ3-CB 4.29Å; W140-N146 WeakPolarHBondContact CZ3-ND2 3.19Å; M141-N146 HydrophobicContact CE-CB 3.72Å; M141-N146 VanDerWaalsContact CE-O 3.27Å; M141-N146 WeakPolarHBondContact CE-O 3.43Å; M141-N146 PolarHBondContact O-N 3.43Å; M141-N146 HydrophobicContact SD-CB 3.87Å; N146-V148 PolarHBondContact O-N 3.06Å
147	G	97.4	Very high	98.4	Very high	29 Å²	29	45.6 Å²	45.6	30%	0.299	25%	0.247	S	C	.	.	S	Bend	trans	73	-15.1	-179.7	0	0	0	0	0	115.4
148	V	98.4	Very high	98.5	Very high	38 Å²	38	45.8 Å²	45.8	23%	0.23	25%	0.247	C	C	.	.	S	Bend	trans	-135.7	165.1	178	-75.1	0	0	0	0	111	V120 M141 Y142 G145 N146	V120-V148 HydrophobicContact CB-CG1 4.3Å; V120-V148 HydrophobicContact CG1-CG1 3.67Å; V120-V148 HydrophobicContact CG2-CG1 3.99Å; V120-V148 HydrophobicContact CG2-CG2 4.35Å; M141-V148 HydrophobicContact CB-CG2 4.31Å; Y142-V148 HydrophobicContact CD1-CB 4.2Å; Y142-V148 HydrophobicContact CD1-CG2 3.62Å; Y142-V148 HydrophobicContact CE1-CB 3.95Å; Y142-V148 HydrophobicContact CE1-CG1 4.16Å; Y142-V148 HydrophobicContact CE1-CG2 3.79Å; Y142-V148 HydrophobicContact CG-CG2 4.16Å; G145-V148 CarbonylContact C-O 3.55Å; G145-V148 WeakPolarHBondContact CA-O 3.45Å; N146-V148 PolarHBondContact O-N 3.06Å
149	A	98.4	Very high	98.5	Very high	83 Å²	83	45.8 Å²	45.8	69%	0.686	25%	0.247	S	C	*	.			trans	-62	141	168.2	0	0	0	0	0	110	D151	A149-D151 PolarHBondContact O-N 3.3Å
150	K	98.5	Very high	98.5	Very high	121 Å²	121	49.6 Å²	49.6	53%	0.526	26%	0.263	S	S	.	.			trans	-61.8	123.6	174.6	-178	176.3	-67.7	176.9	0	109.7	Y142 R143 N144 Y152	Y142-K150 CarbonylContact O-C 3.58Å; Y142-K150 WeakPolarHBondContact O-CA 3.33Å; R143-K150 WeakPolarHBondContact O-CE 3.32Å; R143-K150 WeakPolarHBondContact O-CG 3.27Å; N144-K150 VanDerWaalsContact O-CE 3.26Å; N144-K150 WeakPolarHBondContact O-CE 3.45Å; K150-Y152 HydrophobicContact CD-CE2 4.11Å; K150-Y152 HydrophobicContact CG-CE2 4.42Å
151	D	98.7	Very high	98.5	Very high	59 Å²	59	48.8 Å²	48.8	32%	0.316	26%	0.263	S	S	.	.			trans	-146	103	-178	-171.3	-31.3	0	0	0	110.1	Y142 A149 A153 L154 A155	Y142-D151 WeakPolarHBondContact CB-O 3.29Å; Y142-D151 HydrophobicContact CD1-CB 4.07Å; Y142-D151 PolarHBondContact O-N 2.81Å; A149-D151 PolarHBondContact O-N 3.3Å; D151-A153 VanDerWaalsContact C-N 3.3Å; D151-A153 PolarHBondContact O-N 2.86Å; D151-A153 WeakPolarHBondContact OD1-CA 3.48Å; D151-A153 WeakPolarHBondContact OD1-CB 3.43Å; D151-A153 PolarHBondContact OD1-N 3.43Å; D151-L154 HydrophobicContact CB-CB 4.13Å; D151-L154 HydrophobicContact CB-CD1 4.21Å; D151-L154 HydrophobicContact CB-CG 4.39Å; D151-L154 PolarHBondContact OD1-N 3.06Å; D151-L154 WeakPolarHBondContact OD2-CD1 3.44Å; D151-A155 WeakPolarHBondContact O-CB 3.47Å; D151-A155 PolarHBondContact O-N 2.92Å
152	Y	98.7	Very high	98.5	Very high	71 Å²	71	48.8 Å²	48.8	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-70	-25.4	179.5	-68.8	-66.9	0	0	0	113.3	R143 K150 F156 L177 K182	R143-Y152 HydrophobicContact CG-CD1 4.41Å; R143-Y152 HydrophobicContact CG-CE1 3.98Å; K150-Y152 HydrophobicContact CD-CE2 4.11Å; K150-Y152 HydrophobicContact CG-CE2 4.42Å; Y152-F156 VanDerWaalsContact O-CB 3.25Å; Y152-F156 WeakPolarHBondContact O-CB 3.05Å; Y152-F156 PolarHBondContact O-N 3.37Å; Y152-L177 HydrophobicContact CD1-CD2 3.9Å; Y152-L177 HydrophobicContact CE1-CD2 4.49Å; Y152-K182 HydrophobicContact CD1-CB 3.86Å; Y152-K182 HydrophobicContact CD1-CD 4.36Å; Y152-K182 HydrophobicContact CD1-CG 4.49Å; Y152-K182 HydrophobicContact CD2-CB 4.26Å; Y152-K182 HydrophobicContact CD2-CG 4.47Å; Y152-K182 HydrophobicContact CE1-CB 4.27Å; Y152-K182 HydrophobicContact CE1-CD 3.91Å; Y152-K182 HydrophobicContact CE1-CG 4.46Å; Y152-K182 HydrophobicContact CE2-CD 4.37Å; Y152-K182 HydrophobicContact CE2-CG 4.43Å; Y152-K182 HydrophobicContact CG-CB 3.86Å
153	A	98.7	Very high	98.5	Very high	51 Å²	51	47.3 Å²	47.3	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-72.6	-40.1	178.6	0	0	0	0	0	110.7	D151 F156 F157	D151-A153 VanDerWaalsContact C-N 3.3Å; D151-A153 PolarHBondContact O-N 2.86Å; D151-A153 WeakPolarHBondContact OD1-CA 3.48Å; D151-A153 WeakPolarHBondContact OD1-CB 3.43Å; D151-A153 PolarHBondContact OD1-N 3.43Å; A153-F156 WeakPolarHBondContact O-CB 3.25Å; A153-F156 PolarHBondContact O-N 3.45Å; A153-F157 PolarHBondContact O-N 3.26Å
154	L	98.6	Very high	98.5	Very high	61 Å²	61	50.1 Å²	50.1	32%	0.319	28%	0.276	S	S	.	.	H	α-helix	trans	-68.9	-39.8	171.3	-73	175.7	0	0	0	112.1	Y142 D151 F156 F157 W158	Y142-L154 HydrophobicContact CD1-CB 3.93Å; Y142-L154 HydrophobicContact CD1-CD1 3.87Å; Y142-L154 HydrophobicContact CD2-CB 3.93Å; Y142-L154 HydrophobicContact CE1-CB 4.23Å; Y142-L154 HydrophobicContact CE1-CD1 3.43Å; Y142-L154 VanDerWaalsContact CE1-CD1 3.43Å; Y142-L154 HydrophobicContact CE1-CG 4.47Å; Y142-L154 HydrophobicContact CE2-CB 4.23Å; Y142-L154 HydrophobicContact CE2-CD1 4.35Å; Y142-L154 HydrophobicContact CG-CB 3.78Å; Y142-L154 HydrophobicContact CG-CD1 4.5Å; D151-L154 HydrophobicContact CB-CB 4.13Å; D151-L154 HydrophobicContact CB-CD1 4.21Å; D151-L154 HydrophobicContact CB-CG 4.39Å; D151-L154 PolarHBondContact OD1-N 3.06Å; D151-L154 WeakPolarHBondContact OD2-CD1 3.44Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-F156 PolarHBondContact O-N 3.2Å; L154-F157 PolarHBondContact O-N 3.23Å; L154-W158 PolarHBondContact O-N 3.43Å
155	A	98.9	Very high	98.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.7	-48.5	172.3	0	0	0	0	0	111.3	G139 R143 D151 F157 W158 Y159 L177	G139-A155 VanDerWaalsContact O-CB 3.3Å; G139-A155 WeakPolarHBondContact O-CB 3.45Å; R143-A155 HydrophobicContact CB-CB 4.06Å; D151-A155 WeakPolarHBondContact O-CB 3.47Å; D151-A155 PolarHBondContact O-N 2.92Å; A155-F157 PolarHBondContact O-N 3.07Å; A155-W158 PolarHBondContact O-N 3.2Å; A155-Y159 HydrophobicContact CB-CD2 4.28Å; A155-Y159 HydrophobicContact CB-CE2 4.02Å; A155-Y159 WeakPolarHBondContact O-CB 3.48Å; A155-Y159 WeakPolarHBondContact O-CD2 3.38Å; A155-Y159 VanDerWaalsContact O-CG 3.28Å; A155-Y159 PolarHBondContact O-N 3.03Å; A155-L177 HydrophobicContact CB-CD1 4.3Å
156	F	98.8	Very high	98.6	Very high	30 Å²	30	52.1 Å²	52.1	13%	0.132	28%	0.284	C	S	.	.	H	α-helix	trans	-56.7	-47.5	175.5	176.8	-90.7	0	0	0	112.3	Y152 A153 L154 W158 K160 L174 L177 Y178 V184	Y152-F156 VanDerWaalsContact O-CB 3.25Å; Y152-F156 WeakPolarHBondContact O-CB 3.05Å; Y152-F156 PolarHBondContact O-N 3.37Å; A153-F156 WeakPolarHBondContact O-CB 3.25Å; A153-F156 PolarHBondContact O-N 3.45Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-F156 PolarHBondContact O-N 3.2Å; F156-W158 PolarHBondContact O-N 2.94Å; F156-K160 HydrophobicContact CE1-CD 3.99Å; F156-K160 HydrophobicContact CZ-CD 4.13Å; F156-K160 VanDerWaalsContact O-CB 3.22Å; F156-K160 WeakPolarHBondContact O-CB 3.3Å; F156-K160 PolarHBondContact O-N 3.44Å; F156-L174 HydrophobicContact CD2-CD1 3.57Å; F156-L174 HydrophobicContact CE2-CD1 3.5Å; F156-L174 VanDerWaalsContact CE2-CD1 3.5Å; F156-L174 HydrophobicContact CG-CD1 4.39Å; F156-L174 HydrophobicContact CZ-CD1 4.27Å; F156-L177 HydrophobicContact CB-CD1 3.79Å; F156-L177 HydrophobicContact CD2-CB 4.45Å; F156-L177 HydrophobicContact CD2-CD1 4.36Å; F156-Y178 HydrophobicContact CE2-CD1 4.45Å; F156-Y178 HydrophobicContact CE2-CD2 4.49Å; F156-Y178 AromaticContact CE2-CE1 3.81Å; F156-Y178 HydrophobicContact CE2-CE1 3.81Å; F156-Y178 AromaticContact CE2-CE2 3.86Å; F156-Y178 HydrophobicContact CE2-CE2 3.86Å; F156-Y178 AromaticContact CE2-CZ 3.49Å; F156-Y178 VanDerWaalsContact CE2-CZ 3.49Å; F156-Y178 HydrophobicContact CZ-CE1 4.18Å; F156-Y178 HydrophobicContact CZ-CE2 4.43Å; F156-Y178 AromaticContact CZ-CZ 3.75Å; F156-Y178 WeakPolarHBondContact CZ-OH 3.41Å; F156-V184 HydrophobicContact CD2-CB 3.72Å; F156-V184 HydrophobicContact CD2-CG1 3.65Å; F156-V184 HydrophobicContact CD2-CG2 4.3Å; F156-V184 HydrophobicContact CE1-CG2 4.49Å; F156-V184 HydrophobicContact CE2-CB 3.64Å; F156-V184 HydrophobicContact CE2-CG1 3.63Å; F156-V184 HydrophobicContact CE2-CG2 3.71Å; F156-V184 HydrophobicContact CG-CB 4.27Å; F156-V184 HydrophobicContact CZ-CB 4.13Å; F156-V184 HydrophobicContact CZ-CG2 3.81Å
157	F	98.8	Very high	98.6	Very high	95 Å²	95	51.5 Å²	51.5	42%	0.417	28%	0.28	S	S	.	.	H	α-helix	trans	-55.9	-52.1	178.6	173.4	-96.3	0	0	0	111.5	A153 L154 A155 K160 Q161	A153-F157 PolarHBondContact O-N 3.26Å; L154-F157 PolarHBondContact O-N 3.23Å; A155-F157 PolarHBondContact O-N 3.07Å; F157-K160 PolarHBondContact O-N 3.07Å; F157-Q161 HydrophobicContact CE1-CG 4.37Å; F157-Q161 HydrophobicContact CZ-CG 4.31Å; F157-Q161 WeakPolarHBondContact O-CG 3.35Å; F157-Q161 PolarHBondContact O-N 3Å; F157-Q161 VanDerWaalsContact O-N 3.15Å
158	W	98.8	Very high	98.7	Very high	24 Å²	24	51.1 Å²	51.1	9%	0.091	27%	0.273	C	S	.	.	H	α-helix	trans	-70.8	-41.8	-176.7	-68.2	118.9	0	0	0	113.3	A127 E128 Q135 L138 Y142 L154 A155 F156 K160 Q161 A162	A127-W158 HydrophobicContact CB-CE3 4.2Å; A127-W158 HydrophobicContact CB-CH2 4.44Å; A127-W158 HydrophobicContact CB-CZ3 3.96Å; E128-W158 HydrophobicContact CG-CH2 4.33Å; Q135-W158 HydrophobicContact CB-CE3 4.38Å; Q135-W158 HydrophobicContact CG-CE3 3.95Å; Q135-W158 HydrophobicContact CG-CZ3 4.29Å; Q135-W158 WeakPolarHBondContact O-CB 3.42Å; L138-W158 HydrophobicContact CD2-CD2 3.68Å; L138-W158 HydrophobicContact CD2-CE3 4.28Å; L138-W158 HydrophobicContact CD2-CG 3.99Å; L138-W158 HydrophobicContact CD2-CH2 4.36Å; L138-W158 HydrophobicContact CD2-CZ2 3.8Å; L138-W158 HydrophobicContact CG-CD2 4.4Å; L138-W158 HydrophobicContact CG-CG 4.2Å; Y142-W158 AromaticContact CD2-CD1 3.78Å; Y142-W158 AromaticContact CE2-CD1 3.84Å; Y142-W158 AromaticContact CE2-NE1 3.66Å; L154-W158 PolarHBondContact O-N 3.43Å; A155-W158 PolarHBondContact O-N 3.2Å; F156-W158 PolarHBondContact O-N 2.94Å; W158-K160 VanDerWaalsContact C-N 3.27Å; W158-K160 PolarHBondContact O-N 3.18Å; W158-Q161 PolarHBondContact O-N 2.99Å; W158-A162 PolarHBondContact O-N 3.08Å; W158-A162 VanDerWaalsContact O-N 3.09Å
159	Y	98.9	Very high	98.7	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-39.7	173.6	-68.8	-41.7	0	0	0	111.7	N136 G139 W140 R143 A155 Q161 A162 A163 N173 L177	N136-Y159 VanDerWaalsContact O-CE1 3.26Å; N136-Y159 WeakPolarHBondContact O-CE1 3.27Å; N136-Y159 WeakPolarHBondContact OD1-CE1 3.24Å; G139-Y159 VanDerWaalsContact C-CZ 3.4Å; W140-Y159 WeakPolarHBondContact CA-OH 3.46Å; W140-Y159 WeakPolarHBondContact CB-OH 3.3Å; W140-Y159 PolarHBondContact N-OH 3.32Å; R143-Y159 HydrophobicContact CB-CE2 4.42Å; A155-Y159 HydrophobicContact CB-CD2 4.28Å; A155-Y159 HydrophobicContact CB-CE2 4.02Å; A155-Y159 WeakPolarHBondContact O-CB 3.48Å; A155-Y159 WeakPolarHBondContact O-CD2 3.38Å; A155-Y159 VanDerWaalsContact O-CG 3.28Å; A155-Y159 PolarHBondContact O-N 3.03Å; Y159-Q161 PolarHBondContact O-N 3.12Å; Y159-A162 PolarHBondContact O-N 2.82Å; Y159-A163 WeakPolarHBondContact O-CB 3.43Å; Y159-A163 PolarHBondContact O-N 3.43Å; Y159-N173 HydrophobicContact CD1-CB 3.75Å; Y159-N173 HydrophobicContact CD2-CB 3.83Å; Y159-N173 HydrophobicContact CE1-CB 3.6Å; Y159-N173 WeakPolarHBondContact CE1-ND2 3.4Å; Y159-N173 HydrophobicContact CE2-CB 3.7Å; Y159-N173 HydrophobicContact CG-CB 3.86Å; Y159-L177 HydrophobicContact CD2-CD1 3.73Å; Y159-L177 HydrophobicContact CD2-CG 4.49Å; Y159-L177 HydrophobicContact CE2-CD1 4.17Å
160	K	98.9	Very high	98.8	Very high	80 Å²	80	49 Å²	49	35%	0.348	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-42.2	176.9	-172.8	174.6	179.7	178.1	0	112.4	F156 F157 W158 A163 L164 L174	F156-K160 HydrophobicContact CE1-CD 3.99Å; F156-K160 HydrophobicContact CZ-CD 4.13Å; F156-K160 VanDerWaalsContact O-CB 3.22Å; F156-K160 WeakPolarHBondContact O-CB 3.3Å; F156-K160 PolarHBondContact O-N 3.44Å; F157-K160 PolarHBondContact O-N 3.07Å; W158-K160 VanDerWaalsContact C-N 3.27Å; W158-K160 PolarHBondContact O-N 3.18Å; K160-A163 PolarHBondContact O-N 2.77Å; K160-L164 HydrophobicContact CG-CD1 4.14Å; K160-L164 WeakPolarHBondContact O-CB 3.45Å; K160-L164 VanDerWaalsContact O-CG 3.23Å; K160-L164 WeakPolarHBondContact O-CG 3.09Å; K160-L164 PolarHBondContact O-N 3.37Å; K160-L174 HydrophobicContact CB-CD1 4.13Å; K160-L174 HydrophobicContact CB-CD2 4.29Å; K160-L174 HydrophobicContact CG-CD2 4.4Å
161	Q	98.8	Very high	98.8	Very high	74 Å²	74	43.6 Å²	43.6	35%	0.346	23%	0.225	S	C	.	.	H	α-helix	trans	-60	-48.5	175.1	-65.4	-62.7	-36.4	0	0	111.3	Q135 F157 W158 Y159 A163 L164 Q165	Q135-Q161 HydrophobicContact CG-CB 4.48Å; Q135-Q161 VanDerWaalsContact OE1-CB 3.31Å; F157-Q161 HydrophobicContact CE1-CG 4.37Å; F157-Q161 HydrophobicContact CZ-CG 4.31Å; F157-Q161 WeakPolarHBondContact O-CG 3.35Å; F157-Q161 PolarHBondContact O-N 3Å; F157-Q161 VanDerWaalsContact O-N 3.15Å; W158-Q161 PolarHBondContact O-N 2.99Å; Y159-Q161 PolarHBondContact O-N 3.12Å; Q161-A163 PolarHBondContact O-N 2.96Å; Q161-L164 PolarHBondContact O-N 3.04Å; Q161-Q165 WeakPolarHBondContact O-CG 3.4Å; Q161-Q165 PolarHBondContact O-N 3.5Å
162	A	98.9	Very high	98.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-40	179.3	0	0	0	0	0	112.6	S132 Q135 N136 W158 Y159 L164 Q165 G166 H167 A170	S132-A162 WeakPolarHBondContact O-CB 3.44Å; Q135-A162 HydrophobicContact CB-CB 3.82Å; Q135-A162 VanDerWaalsContact OE1-N 3.07Å; N136-A162 HydrophobicContact CB-CB 4.3Å; W158-A162 PolarHBondContact O-N 3.08Å; W158-A162 VanDerWaalsContact O-N 3.09Å; Y159-A162 PolarHBondContact O-N 2.82Å; A162-L164 PolarHBondContact O-N 3.29Å; A162-Q165 WeakPolarHBondContact O-CB 3.3Å; A162-Q165 PolarHBondContact O-N 3.45Å; A162-Q165 VanDerWaalsContact O-N 3.14Å; A162-G166 PolarHBondContact O-N 3.08Å; A162-H167 HydrophobicContact CB-CB 4.16Å; A162-H167 VanDerWaalsContact O-CB 3.29Å; A162-H167 WeakPolarHBondContact O-CB 3.3Å; A162-H167 PolarHBondContact O-N 3.43Å; A162-H167 VanDerWaalsContact O-N 3.11Å; A162-A170 HydrophobicContact CB-CB 3.36Å
163	A	98.9	Very high	98.8	Very high	2 Å²	2	39 Å²	39	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-39.1	-180	0	0	0	0	0	112.4	Y159 K160 Q161 Q165 G166 A170 Q171 L174 W194	Y159-A163 WeakPolarHBondContact O-CB 3.43Å; Y159-A163 PolarHBondContact O-N 3.43Å; K160-A163 PolarHBondContact O-N 2.77Å; Q161-A163 PolarHBondContact O-N 2.96Å; A163-Q165 PolarHBondContact O-N 2.79Å; A163-G166 PolarHBondContact O-N 3.04Å; A163-A170 HydrophobicContact CB-CB 4.33Å; A163-Q171 HydrophobicContact CB-CB 4.37Å; A163-Q171 HydrophobicContact CB-CG 3.67Å; A163-Q171 PolarHBondContact O-NE2 3.22Å; A163-L174 HydrophobicContact CB-CD2 3.82Å; A163-W194 HydrophobicContact CB-CE3 4.29Å; A163-W194 HydrophobicContact CB-CH2 4.31Å; A163-W194 HydrophobicContact CB-CZ3 3.94Å
164	L	98.8	Very high	98.8	Very high	112 Å²	112	36.5 Å²	36.5	59%	0.586	19%	0.185	S	C	*	.	H	α-helix	trans	-64.8	-25.5	175.3	-74.1	169.4	0	0	0	112.7	K160 Q161 A162 G166 W194	K160-L164 HydrophobicContact CG-CD1 4.14Å; K160-L164 WeakPolarHBondContact O-CB 3.45Å; K160-L164 VanDerWaalsContact O-CG 3.23Å; K160-L164 WeakPolarHBondContact O-CG 3.09Å; K160-L164 PolarHBondContact O-N 3.37Å; Q161-L164 PolarHBondContact O-N 3.04Å; A162-L164 PolarHBondContact O-N 3.29Å; L164-G166 VanDerWaalsContact C-N 3.25Å; L164-G166 PolarHBondContact O-N 3.26Å; L164-W194 HydrophobicContact CD2-CH2 4.13Å
165	Q	98.6	Very high	98.8	Very high	102 Å²	102	33.6 Å²	33.6	48%	0.477	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	2.1	172.4	-62.1	-173.9	67.7	0	0	113.5	G130 Q161 A162 A163	G130-Q165 PolarHBondContact O-NE2 2.89Å; G130-Q165 PolarHBondContact O-OE1 2.96Å; Q161-Q165 WeakPolarHBondContact O-CG 3.4Å; Q161-Q165 PolarHBondContact O-N 3.5Å; A162-Q165 WeakPolarHBondContact O-CB 3.3Å; A162-Q165 PolarHBondContact O-N 3.45Å; A162-Q165 VanDerWaalsContact O-N 3.14Å; A163-Q165 PolarHBondContact O-N 2.79Å
166	G	98.5	Very high	98.8	Very high	29 Å²	29	34.4 Å²	34.4	30%	0.299	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	3.1	179.7	0	0	0	0	0	114.9	A162 A163 L164 S168 Q201	A162-G166 PolarHBondContact O-N 3.08Å; A163-G166 PolarHBondContact O-N 3.04Å; L164-G166 VanDerWaalsContact C-N 3.25Å; L164-G166 PolarHBondContact O-N 3.26Å; G166-S168 PolarHBondContact O-N 3.41Å; G166-S168 VanDerWaalsContact O-N 3.08Å; G166-Q201 PolarHBondContact O-NE2 3.02Å; G166-Q201 PolarHBondContact O-OE1 3.49Å
167	H	98.8	Very high	98.8	Very high	20 Å²	20	33 Å²	33	9%	0.093	17%	0.168	C	C	.	.			trans	-65.6	113	-177.4	-171.6	-51.2	0	0	0	111.6	Y133 A162 D169 A170 Q171	Y133-H167 AromaticContact CD1-CD2 3.88Å; Y133-H167 AromaticContact CD1-NE2 3.4Å; Y133-H167 WeakPolarHBondContact CD1-NE2 3.31Å; Y133-H167 AromaticContact CE1-NE2 3.87Å; A162-H167 HydrophobicContact CB-CB 4.16Å; A162-H167 VanDerWaalsContact O-CB 3.29Å; A162-H167 WeakPolarHBondContact O-CB 3.3Å; A162-H167 PolarHBondContact O-N 3.43Å; A162-H167 VanDerWaalsContact O-N 3.11Å; H167-D169 IonicContact CE1-OD2 3.21Å; H167-D169 PolarHBondContact ND1-N 3.4Å; H167-D169 PolarHBondContact O-N 3.46Å; H167-A170 HydrophobicContact CB-CB 3.98Å; H167-A170 PolarHBondContact ND1-N 3.01Å; H167-A170 PolarHBondContact O-N 3.3Å; H167-Q171 WeakPolarHBondContact O-CG 3.46Å; H167-Q171 PolarHBondContact O-N 3.24Å
168	S	98.7	Very high	98.8	Very high	21 Å²	21	29.3 Å²	29.3	15%	0.147	15%	0.152	C	C	.	.	H	α-helix	trans	-56.7	-49.2	-172.7	-174	0	0	0	0	114.1	G166 A170 Q171 N172 S198	G166-S168 PolarHBondContact O-N 3.41Å; G166-S168 VanDerWaalsContact O-N 3.08Å; S168-A170 VanDerWaalsContact C-N 3.33Å; S168-A170 PolarHBondContact O-N 2.96Å; S168-Q171 WeakPolarHBondContact O-CB 3.34Å; S168-Q171 PolarHBondContact O-N 2.9Å; S168-N172 PolarHBondContact O-N 3.01Å; S168-N172 VanDerWaalsContact O-N 3.07Å; S168-S198 WeakPolarHBondContact O-CB 3.43Å; S168-S198 PolarHBondContact O-OG 3.41Å; S168-S198 PolarHBondContact OG-O 2.94Å; S168-S198 PolarHBondContact OG-OG 3.18Å
169	D	98.7	Very high	98.8	Very high	77 Å²	77	29.5 Å²	29.5	41%	0.412	15%	0.154	S	C	.	.	H	α-helix	trans	-67.9	-32.7	179.9	-56.6	-39.2	0	0	0	112.9	H167 Q171 N172 N173 N203	H167-D169 IonicContact CE1-OD2 3.21Å; H167-D169 PolarHBondContact ND1-N 3.4Å; H167-D169 PolarHBondContact O-N 3.46Å; D169-Q171 VanDerWaalsContact C-N 3.35Å; D169-N172 WeakPolarHBondContact O-CB 3.5Å; D169-N172 PolarHBondContact O-N 3.38Å; D169-N173 WeakPolarHBondContact O-CB 3.1Å; D169-N173 PolarHBondContact O-N 3.37Å; D169-N173 PolarHBondContact O-ND2 2.92Å; D169-N173 VanDerWaalsContact O-ND2 3.12Å; D169-N203 PolarHBondContact OD1-ND2 3.33Å
170	A	98.9	Very high	98.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.9	-36.8	175	0	0	0	0	0	111.8	N136 A162 A163 H167 S168 N172 N173 L174	N136-A170 HydrophobicContact CB-CB 4.14Å; N136-A170 WeakPolarHBondContact OD1-CA 3.36Å; N136-A170 PolarHBondContact OD1-N 3.15Å; A162-A170 HydrophobicContact CB-CB 3.36Å; A163-A170 HydrophobicContact CB-CB 4.33Å; H167-A170 HydrophobicContact CB-CB 3.98Å; H167-A170 PolarHBondContact ND1-N 3.01Å; H167-A170 PolarHBondContact O-N 3.3Å; S168-A170 VanDerWaalsContact C-N 3.33Å; S168-A170 PolarHBondContact O-N 2.96Å; A170-N172 VanDerWaalsContact C-N 3.35Å; A170-N173 PolarHBondContact O-N 2.97Å; A170-L174 WeakPolarHBondContact O-CB 3.38Å; A170-L174 PolarHBondContact O-N 2.94Å
171	Q	98.9	Very high	98.7	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-44.2	172.5	-67.4	169.4	-3	0	0	111	A163 H167 S168 D169 L174 A175 W194 K197	A163-Q171 HydrophobicContact CB-CB 4.37Å; A163-Q171 HydrophobicContact CB-CG 3.67Å; A163-Q171 PolarHBondContact O-NE2 3.22Å; H167-Q171 WeakPolarHBondContact O-CG 3.46Å; H167-Q171 PolarHBondContact O-N 3.24Å; S168-Q171 WeakPolarHBondContact O-CB 3.34Å; S168-Q171 PolarHBondContact O-N 2.9Å; D169-Q171 VanDerWaalsContact C-N 3.35Å; Q171-L174 PolarHBondContact O-N 3Å; Q171-A175 WeakPolarHBondContact O-CB 3.49Å; Q171-A175 PolarHBondContact O-N 3.16Å; Q171-W194 HydrophobicContact CB-CE3 4.15Å; Q171-W194 HydrophobicContact CG-CE3 3.8Å; Q171-W194 HydrophobicContact CG-CZ3 3.99Å; Q171-K197 VanDerWaalsContact OE1-C 3.22Å; Q171-K197 PolarHBondContact OE1-O 2.82Å
172	N	98.8	Very high	98.7	Very high	11 Å²	11	31.2 Å²	31.2	6%	0.059	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-49.5	174.2	179.6	81.9	0	0	0	112	S168 D169 A170 L174 A175 D176 H205 A206	S168-N172 PolarHBondContact O-N 3.01Å; S168-N172 VanDerWaalsContact O-N 3.07Å; D169-N172 WeakPolarHBondContact O-CB 3.5Å; D169-N172 PolarHBondContact O-N 3.38Å; A170-N172 VanDerWaalsContact C-N 3.35Å; N172-L174 VanDerWaalsContact C-N 3.29Å; N172-L174 PolarHBondContact O-N 3Å; N172-A175 WeakPolarHBondContact O-CB 3.26Å; N172-A175 PolarHBondContact O-N 2.99Å; N172-A175 VanDerWaalsContact O-N 3.14Å; N172-D176 PolarHBondContact O-N 3.01Å; N172-H205 PolarHBondContact OD1-CD2 3.38Å; N172-H205 VanDerWaalsContact OD1-CD2 3.23Å; N172-A206 HydrophobicContact CB-CB 4.48Å; N172-A206 PolarHBondContact OD1-N 2.89Å
173	N	98.8	Very high	98.6	Very high	21 Å²	21	33.1 Å²	33.1	11%	0.112	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-36.5	179.7	-71.8	-34.3	0	0	0	112.2	N136 R143 Y159 D169 A170 D176 L177	N136-N173 PolarHBondContact OD1-ND2 2.84Å; N136-N173 VanDerWaalsContact OD1-ND2 3.08Å; R143-N173 PolarHBondContact NH1-OD1 3.3Å; R143-N173 VanDerWaalsContact NH1-OD1 3.16Å; Y159-N173 HydrophobicContact CD1-CB 3.75Å; Y159-N173 HydrophobicContact CD2-CB 3.83Å; Y159-N173 HydrophobicContact CE1-CB 3.6Å; Y159-N173 WeakPolarHBondContact CE1-ND2 3.4Å; Y159-N173 HydrophobicContact CE2-CB 3.7Å; Y159-N173 HydrophobicContact CG-CB 3.86Å; D169-N173 WeakPolarHBondContact O-CB 3.1Å; D169-N173 PolarHBondContact O-N 3.37Å; D169-N173 PolarHBondContact O-ND2 2.92Å; D169-N173 VanDerWaalsContact O-ND2 3.12Å; A170-N173 PolarHBondContact O-N 2.97Å; N173-D176 PolarHBondContact O-N 3.25Å; N173-L177 WeakPolarHBondContact O-CG 3.18Å; N173-L177 PolarHBondContact O-N 3.02Å
174	L	98.8	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-40	174.1	-178	64.3	0	0	0	111.4	F156 K160 A163 A170 Q171 N172 L177 Y178 W194	F156-L174 HydrophobicContact CD2-CD1 3.57Å; F156-L174 HydrophobicContact CE2-CD1 3.5Å; F156-L174 VanDerWaalsContact CE2-CD1 3.5Å; F156-L174 HydrophobicContact CG-CD1 4.39Å; F156-L174 HydrophobicContact CZ-CD1 4.27Å; K160-L174 HydrophobicContact CB-CD1 4.13Å; K160-L174 HydrophobicContact CB-CD2 4.29Å; K160-L174 HydrophobicContact CG-CD2 4.4Å; A163-L174 HydrophobicContact CB-CD2 3.82Å; A170-L174 WeakPolarHBondContact O-CB 3.38Å; A170-L174 PolarHBondContact O-N 2.94Å; Q171-L174 PolarHBondContact O-N 3Å; N172-L174 VanDerWaalsContact C-N 3.29Å; N172-L174 PolarHBondContact O-N 3Å; L174-L177 PolarHBondContact O-N 3.09Å; L174-Y178 HydrophobicContact CD1-CD2 4.34Å; L174-Y178 HydrophobicContact CD1-CE2 3.9Å; L174-Y178 HydrophobicContact CD2-CE2 4.24Å; L174-Y178 HydrophobicContact CG-CD2 4.08Å; L174-Y178 HydrophobicContact CG-CE2 3.79Å; L174-Y178 VanDerWaalsContact O-CD2 3.3Å; L174-Y178 WeakPolarHBondContact O-CD2 3.33Å; L174-Y178 PolarHBondContact O-N 3.1Å; L174-W194 HydrophobicContact CD2-CD2 3.8Å; L174-W194 HydrophobicContact CD2-CE3 4.38Å; L174-W194 HydrophobicContact CD2-CG 4.07Å; L174-W194 HydrophobicContact CD2-CH2 4.48Å; L174-W194 HydrophobicContact CD2-CZ2 3.93Å; L174-W194 HydrophobicContact CG-CG 4.45Å
175	A	98.9	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-47	174.9	0	0	0	0	0	111.4	Q171 N172 L177 Y178 E179 A191 W194 Y195	Q171-A175 WeakPolarHBondContact O-CB 3.49Å; Q171-A175 PolarHBondContact O-N 3.16Å; N172-A175 WeakPolarHBondContact O-CB 3.26Å; N172-A175 PolarHBondContact O-N 2.99Å; N172-A175 VanDerWaalsContact O-N 3.14Å; A175-L177 PolarHBondContact O-N 3.2Å; A175-Y178 PolarHBondContact O-N 2.99Å; A175-E179 PolarHBondContact O-N 3.02Å; A175-A191 WeakPolarHBondContact CB-O 3.43Å; A175-W194 HydrophobicContact CB-CB 3.78Å; A175-Y195 HydrophobicContact CB-CD1 3.4Å; A175-Y195 HydrophobicContact CB-CD2 3.83Å; A175-Y195 HydrophobicContact CB-CE1 3.41Å; A175-Y195 VanDerWaalsContact CB-CE1 3.41Å; A175-Y195 HydrophobicContact CB-CE2 3.85Å; A175-Y195 HydrophobicContact CB-CG 3.59Å
176	D	98.7	Very high	98.5	Very high	16 Å²	16	34.4 Å²	34.4	9%	0.086	21%	0.211	C	C	.	.	H	α-helix	trans	-53.9	-41.3	175.1	-68.6	-4.8	0	0	0	112.2	R143 N172 N173 E179 D180 Y195 H205	R143-D176 IonicContact CZ-OD2 2.85Å; R143-D176 IonicContact NH1-OD2 2.73Å; R143-D176 PolarHBondContact NH1-OD2 3.27Å; R143-D176 VanDerWaalsContact NH1-OD2 3.08Å; R143-D176 IonicContact NH2-OD2 2.71Å; R143-D176 PolarHBondContact NH2-OD2 3.49Å; N172-D176 PolarHBondContact O-N 3.01Å; N173-D176 PolarHBondContact O-N 3.25Å; D176-E179 PolarHBondContact O-N 3.48Å; D176-D180 WeakPolarHBondContact O-CB 3.42Å; D176-D180 PolarHBondContact O-N 2.67Å; D176-Y195 WeakPolarHBondContact CA-OH 3.48Å; D176-Y195 WeakPolarHBondContact OD1-CE1 3.48Å; D176-Y195 PolarHBondContact OD1-OH 3.45Å; D176-H205 IonicContact OD1-NE2 3.44Å
177	L	98.8	Very high	98.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-36	180	-66.3	-174	0	0	0	112.5	Y152 A155 F156 Y159 N173 L174 A175 G181 K182	Y152-L177 HydrophobicContact CD1-CD2 3.9Å; Y152-L177 HydrophobicContact CE1-CD2 4.49Å; A155-L177 HydrophobicContact CB-CD1 4.3Å; F156-L177 HydrophobicContact CB-CD1 3.79Å; F156-L177 HydrophobicContact CD2-CB 4.45Å; F156-L177 HydrophobicContact CD2-CD1 4.36Å; Y159-L177 HydrophobicContact CD2-CD1 3.73Å; Y159-L177 HydrophobicContact CD2-CG 4.49Å; Y159-L177 HydrophobicContact CE2-CD1 4.17Å; N173-L177 WeakPolarHBondContact O-CG 3.18Å; N173-L177 PolarHBondContact O-N 3.02Å; L174-L177 PolarHBondContact O-N 3.09Å; A175-L177 PolarHBondContact O-N 3.2Å; L177-G181 WeakPolarHBondContact O-CA 3.26Å; L177-G181 PolarHBondContact O-N 3.14Å; L177-K182 HydrophobicContact CD2-CB 3.78Å; L177-K182 PolarHBondContact O-N 3.04Å
178	Y	98.8	Very high	98.5	Very high	18 Å²	18	37.9 Å²	37.9	7%	0.071	22%	0.221	C	C	.	.	H	α-helix	trans	-70.6	-37.6	171.9	-78.8	-62.3	0	0	0	112.4	F156 L174 A175 V184 Q186 N187 L190 W194	F156-Y178 HydrophobicContact CE2-CD1 4.45Å; F156-Y178 HydrophobicContact CE2-CD2 4.49Å; F156-Y178 AromaticContact CE2-CE1 3.81Å; F156-Y178 HydrophobicContact CE2-CE1 3.81Å; F156-Y178 AromaticContact CE2-CE2 3.86Å; F156-Y178 HydrophobicContact CE2-CE2 3.86Å; F156-Y178 AromaticContact CE2-CZ 3.49Å; F156-Y178 VanDerWaalsContact CE2-CZ 3.49Å; F156-Y178 HydrophobicContact CZ-CE1 4.18Å; F156-Y178 HydrophobicContact CZ-CE2 4.43Å; F156-Y178 AromaticContact CZ-CZ 3.75Å; F156-Y178 WeakPolarHBondContact CZ-OH 3.41Å; L174-Y178 HydrophobicContact CD1-CD2 4.34Å; L174-Y178 HydrophobicContact CD1-CE2 3.9Å; L174-Y178 HydrophobicContact CD2-CE2 4.24Å; L174-Y178 HydrophobicContact CG-CD2 4.08Å; L174-Y178 HydrophobicContact CG-CE2 3.79Å; L174-Y178 VanDerWaalsContact O-CD2 3.3Å; L174-Y178 WeakPolarHBondContact O-CD2 3.33Å; L174-Y178 PolarHBondContact O-N 3.1Å; A175-Y178 PolarHBondContact O-N 2.99Å; Y178-V184 HydrophobicContact CD1-CG1 3.73Å; Y178-V184 HydrophobicContact CD1-CG2 4.13Å; Y178-V184 HydrophobicContact CE1-CB 4.49Å; Y178-V184 HydrophobicContact CE1-CG1 4.04Å; Y178-V184 HydrophobicContact CE1-CG2 3.69Å; Y178-V184 HydrophobicContact CG-CG1 4.34Å; Y178-Q186 CarbonylContact O-C 3.56Å; Y178-Q186 VanDerWaalsContact O-CA 3.28Å; Y178-Q186 WeakPolarHBondContact O-CA 3.16Å; Y178-Q186 WeakPolarHBondContact O-CG 3.44Å; Y178-N187 HydrophobicContact CD1-CB 4.1Å; Y178-N187 PolarHBondContact O-N 3.45Å; Y178-L190 HydrophobicContact CD1-CB 4.13Å; Y178-L190 HydrophobicContact CD1-CD1 4.23Å; Y178-L190 HydrophobicContact CD2-CB 4.07Å; Y178-L190 HydrophobicContact CE1-CB 4.26Å; Y178-L190 HydrophobicContact CE1-CD1 3.66Å; Y178-L190 HydrophobicContact CE2-CB 4.2Å; Y178-L190 HydrophobicContact CE2-CD1 4.5Å; Y178-L190 HydrophobicContact CG-CB 4.03Å; Y178-W194 AromaticContact CD2-CD1 3.84Å; Y178-W194 AromaticContact CE2-CD1 3.68Å; Y178-W194 AromaticContact CE2-NE1 3.68Å
179	E	98.3	Very high	98.5	Very high	28 Å²	28	41.1 Å²	41.1	13%	0.131	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-44.2	178.8	-171.4	58.6	-142.7	0	0	110.9	A175 D176 Q186 K188 A191	A175-E179 PolarHBondContact O-N 3.02Å; D176-E179 PolarHBondContact O-N 3.48Å; E179-Q186 WeakPolarHBondContact O-CG 3.43Å; E179-Q186 PolarHBondContact O-NE2 3.46Å; E179-K188 WeakPolarHBondContact OE1-CE 3.49Å; E179-K188 IonicContact OE1-NZ 3.86Å; E179-K188 PolarHBondContact OE1-NZ 3.37Å; E179-A191 HydrophobicContact CB-CB 4Å; E179-A191 WeakPolarHBondContact OE2-CB 3.27Å
180	D	97.8	Very high	98.5	Very high	83 Å²	83	40.4 Å²	40.4	44%	0.444	24%	0.236	S	C	.	.	H	α-helix	trans	-87.8	-12.3	-178.3	-74.4	-16.7	0	0	0	114	D176 K182	D176-D180 WeakPolarHBondContact O-CB 3.42Å; D176-D180 PolarHBondContact O-N 2.67Å; D180-K182 HydrophobicContact CB-CB 4.43Å; D180-K182 HydrophobicContact CB-CD 3.74Å; D180-K182 HydrophobicContact CB-CG 3.86Å; D180-K182 WeakPolarHBondContact OD2-CE 3.18Å; D180-K182 IonicContact OD2-NZ 2.82Å; D180-K182 PolarHBondContact OD2-NZ 3.26Å
181	G	98.3	Very high	98.5	Very high	30 Å²	30	40.4 Å²	40.4	31%	0.309	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	37.5	-171.5	0	0	0	0	0	113.7	L177 V184	L177-G181 WeakPolarHBondContact O-CA 3.26Å; L177-G181 PolarHBondContact O-N 3.14Å; G181-V184 CarbonylContact C-O 3.11Å; G181-V184 VanDerWaalsContact CA-O 3.23Å; G181-V184 WeakPolarHBondContact CA-O 3.45Å; G181-V184 VanDerWaalsContact O-O 3.08Å
182	K	98.1	Very high	98.5	Very high	76 Å²	76	40.1 Å²	40.1	33%	0.33	24%	0.235	S	C	.	.	S	Bend	trans	-98.4	113.9	-177.6	-77.1	171.9	-176.2	155.7	0	110.8	Y152 L177 D180 V184	Y152-K182 HydrophobicContact CD1-CB 3.86Å; Y152-K182 HydrophobicContact CD1-CD 4.36Å; Y152-K182 HydrophobicContact CD1-CG 4.49Å; Y152-K182 HydrophobicContact CD2-CB 4.26Å; Y152-K182 HydrophobicContact CD2-CG 4.47Å; Y152-K182 HydrophobicContact CE1-CB 4.27Å; Y152-K182 HydrophobicContact CE1-CD 3.91Å; Y152-K182 HydrophobicContact CE1-CG 4.46Å; Y152-K182 HydrophobicContact CE2-CD 4.37Å; Y152-K182 HydrophobicContact CE2-CG 4.43Å; Y152-K182 HydrophobicContact CG-CB 3.86Å; L177-K182 HydrophobicContact CD2-CB 3.78Å; L177-K182 PolarHBondContact O-N 3.04Å; D180-K182 HydrophobicContact CB-CB 4.43Å; D180-K182 HydrophobicContact CB-CD 3.74Å; D180-K182 HydrophobicContact CB-CG 3.86Å; D180-K182 WeakPolarHBondContact OD2-CE 3.18Å; D180-K182 IonicContact OD2-NZ 2.82Å; D180-K182 PolarHBondContact OD2-NZ 3.26Å; K182-V184 PolarHBondContact O-N 3.44Å
183	G	97	Very high	98.5	Very high	41 Å²	41	44.2 Å²	44.2	42%	0.423	25%	0.252	S	S	.	.	S	Bend	trans	75.6	-5	-178.1	0	0	0	0	0	114.3
184	V	98.4	Very high	98.5	Very high	38 Å²	38	44.5 Å²	44.5	23%	0.23	25%	0.252	C	S	.	.	S	Bend	trans	-149	158.1	176.4	66.2	0	0	0	0	108.5	F156 Y178 G181 K182	F156-V184 HydrophobicContact CD2-CB 3.72Å; F156-V184 HydrophobicContact CD2-CG1 3.65Å; F156-V184 HydrophobicContact CD2-CG2 4.3Å; F156-V184 HydrophobicContact CE1-CG2 4.49Å; F156-V184 HydrophobicContact CE2-CB 3.64Å; F156-V184 HydrophobicContact CE2-CG1 3.63Å; F156-V184 HydrophobicContact CE2-CG2 3.71Å; F156-V184 HydrophobicContact CG-CB 4.27Å; F156-V184 HydrophobicContact CZ-CB 4.13Å; F156-V184 HydrophobicContact CZ-CG2 3.81Å; Y178-V184 HydrophobicContact CD1-CG1 3.73Å; Y178-V184 HydrophobicContact CD1-CG2 4.13Å; Y178-V184 HydrophobicContact CE1-CB 4.49Å; Y178-V184 HydrophobicContact CE1-CG1 4.04Å; Y178-V184 HydrophobicContact CE1-CG2 3.69Å; Y178-V184 HydrophobicContact CG-CG1 4.34Å; G181-V184 CarbonylContact C-O 3.11Å; G181-V184 VanDerWaalsContact CA-O 3.23Å; G181-V184 WeakPolarHBondContact CA-O 3.45Å; G181-V184 VanDerWaalsContact O-O 3.08Å; K182-V184 PolarHBondContact O-N 3.44Å
185	A	98.5	Very high	98.5	Very high	83 Å²	83	44.7 Å²	44.7	69%	0.686	25%	0.253	S	S	*	.			trans	-60.7	138.5	171.5	0	0	0	0	0	110.8	N187	A185-N187 PolarHBondContact O-N 2.95Å
186	Q	98.5	Very high	98.5	Very high	121 Å²	121	46.7 Å²	46.7	57%	0.565	26%	0.263	S	S	*	.			trans	-57.3	131.9	176.7	-171.3	-179.5	46.1	0	0	110.4	Y178 E179	Y178-Q186 CarbonylContact O-C 3.56Å; Y178-Q186 VanDerWaalsContact O-CA 3.28Å; Y178-Q186 WeakPolarHBondContact O-CA 3.16Å; Y178-Q186 WeakPolarHBondContact O-CG 3.44Å; E179-Q186 WeakPolarHBondContact O-CG 3.43Å; E179-Q186 PolarHBondContact O-NE2 3.46Å
187	N	98.7	Very high	98.5	Very high	63 Å²	63	50.4 Å²	50.4	34%	0.337	28%	0.278	S	S	.	.			trans	-152.7	92.8	178.2	-171	-36.6	0	0	0	110.6	Y178 A185 T189 L190 A191	Y178-N187 HydrophobicContact CD1-CB 4.1Å; Y178-N187 PolarHBondContact O-N 3.45Å; A185-N187 PolarHBondContact O-N 2.95Å; N187-T189 VanDerWaalsContact C-N 3.28Å; N187-T189 PolarHBondContact O-N 2.93Å; N187-T189 PolarHBondContact OD1-N 3.36Å; N187-L190 HydrophobicContact CB-CB 4.14Å; N187-L190 HydrophobicContact CB-CD1 4.23Å; N187-L190 HydrophobicContact CB-CG 4.4Å; N187-L190 PolarHBondContact O-N 3.47Å; N187-L190 VanDerWaalsContact O-N 3.14Å; N187-L190 PolarHBondContact OD1-N 2.91Å; N187-A191 PolarHBondContact O-N 3.09Å
188	K	98.4	Very high	98.5	Very high	59 Å²	59	50.3 Å²	50.3	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-61	-33.1	-178.5	-60.5	-160.9	171.9	-156.4	0	113.4	E179 A191 A192 E218	E179-K188 WeakPolarHBondContact OE1-CE 3.49Å; E179-K188 IonicContact OE1-NZ 3.86Å; E179-K188 PolarHBondContact OE1-NZ 3.37Å; K188-A191 PolarHBondContact O-N 3.18Å; K188-A192 WeakPolarHBondContact O-CB 3.23Å; K188-A192 PolarHBondContact O-N 3.38Å; K188-E218 HydrophobicContact CD-CB 4.14Å; K188-E218 IonicContact NZ-OE1 2.82Å; K188-E218 PolarHBondContact NZ-OE1 3.22Å; K188-E218 IonicContact NZ-OE2 2.63Å; K188-E218 PolarHBondContact NZ-OE2 2.88Å
189	T	98.7	Very high	98.5	Very high	90 Å²	90	49.5 Å²	49.5	55%	0.552	28%	0.275	S	S	*	.	H	α-helix	trans	-66.1	-40.2	176.1	-58.7	0	0	0	0	111.9	N187 F193 G219	N187-T189 VanDerWaalsContact C-N 3.28Å; N187-T189 PolarHBondContact O-N 2.93Å; N187-T189 PolarHBondContact OD1-N 3.36Å; T189-F193 WeakPolarHBondContact O-CB 3.1Å; T189-F193 PolarHBondContact O-N 3.49Å; T189-G219 WeakPolarHBondContact CA-O 3.45Å; T189-G219 PolarHBondContact OG1-O 2.8Å
190	L	98.7	Very high	98.5	Very high	62 Å²	62	53.8 Å²	53.8	33%	0.325	30%	0.295	S	S	.	.	H	α-helix	trans	-71.6	-37	173.1	-73.3	177.9	0	0	0	111.9	Y178 N187 F193 W194	Y178-L190 HydrophobicContact CD1-CB 4.13Å; Y178-L190 HydrophobicContact CD1-CD1 4.23Å; Y178-L190 HydrophobicContact CD2-CB 4.07Å; Y178-L190 HydrophobicContact CE1-CB 4.26Å; Y178-L190 HydrophobicContact CE1-CD1 3.66Å; Y178-L190 HydrophobicContact CE2-CB 4.2Å; Y178-L190 HydrophobicContact CE2-CD1 4.5Å; Y178-L190 HydrophobicContact CG-CB 4.03Å; N187-L190 HydrophobicContact CB-CB 4.14Å; N187-L190 HydrophobicContact CB-CD1 4.23Å; N187-L190 HydrophobicContact CB-CG 4.4Å; N187-L190 PolarHBondContact O-N 3.47Å; N187-L190 VanDerWaalsContact O-N 3.14Å; N187-L190 PolarHBondContact OD1-N 2.91Å; L190-F193 PolarHBondContact O-N 3.34Å; L190-W194 PolarHBondContact O-N 3.24Å
191	A	98.8	Very high	98.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-55.2	173.6	0	0	0	0	0	110.6	A175 E179 N187 K188 F193 W194 Y195	A175-A191 WeakPolarHBondContact CB-O 3.43Å; E179-A191 HydrophobicContact CB-CB 4Å; E179-A191 WeakPolarHBondContact OE2-CB 3.27Å; N187-A191 PolarHBondContact O-N 3.09Å; K188-A191 PolarHBondContact O-N 3.18Å; A191-F193 VanDerWaalsContact C-N 3.32Å; A191-F193 PolarHBondContact O-N 3.24Å; A191-W194 PolarHBondContact O-N 3.11Å; A191-Y195 HydrophobicContact CB-CD2 4.44Å; A191-Y195 HydrophobicContact CB-CE2 4.27Å; A191-Y195 WeakPolarHBondContact O-CD2 3.32Å; A191-Y195 PolarHBondContact O-N 3.34Å
192	A	98.8	Very high	98.6	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-58.3	-39.9	177.6	0	0	0	0	0	112.9	K188 W194 Y195 L196 I210 D213 V220	K188-A192 WeakPolarHBondContact O-CB 3.23Å; K188-A192 PolarHBondContact O-N 3.38Å; A192-W194 VanDerWaalsContact C-N 3.35Å; A192-W194 PolarHBondContact O-N 3.44Å; A192-Y195 PolarHBondContact O-N 2.86Å; A192-L196 VanDerWaalsContact O-CB 3.3Å; A192-L196 WeakPolarHBondContact O-CB 3.48Å; A192-L196 PolarHBondContact O-N 3.45Å; A192-I210 HydrophobicContact CB-CD1 3.86Å; A192-I210 VanDerWaalsContact O-CD1 3.3Å; A192-I210 WeakPolarHBondContact O-CD1 3.4Å; A192-D213 HydrophobicContact CB-CB 4.46Å; A192-D213 WeakPolarHBondContact CB-OD2 3.39Å; A192-V220 HydrophobicContact CB-CG1 3.68Å
193	F	98.8	Very high	98.6	Very high	98 Å²	98	52.2 Å²	52.2	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-57.7	-46.1	174.1	170.8	-94.8	0	0	0	112.3	T189 L190 A191 K197	T189-F193 WeakPolarHBondContact O-CB 3.1Å; T189-F193 PolarHBondContact O-N 3.49Å; L190-F193 PolarHBondContact O-N 3.34Å; A191-F193 VanDerWaalsContact C-N 3.32Å; A191-F193 PolarHBondContact O-N 3.24Å; F193-K197 HydrophobicContact CE1-CG 4.37Å; F193-K197 HydrophobicContact CZ-CG 4.33Å; F193-K197 WeakPolarHBondContact O-CG 3.34Å; F193-K197 PolarHBondContact O-N 3.26Å
194	W	98.9	Very high	98.7	Very high	27 Å²	27	55.8 Å²	55.8	10%	0.102	29%	0.287	C	S	.	.	H	α-helix	trans	-75.6	-36.3	-179.5	-73.1	116.1	0	0	0	112.7	A163 L164 Q171 L174 A175 Y178 L190 A191 A192 L196 K197 S198	A163-W194 HydrophobicContact CB-CE3 4.29Å; A163-W194 HydrophobicContact CB-CH2 4.31Å; A163-W194 HydrophobicContact CB-CZ3 3.94Å; L164-W194 HydrophobicContact CD2-CH2 4.13Å; Q171-W194 HydrophobicContact CB-CE3 4.15Å; Q171-W194 HydrophobicContact CG-CE3 3.8Å; Q171-W194 HydrophobicContact CG-CZ3 3.99Å; L174-W194 HydrophobicContact CD2-CD2 3.8Å; L174-W194 HydrophobicContact CD2-CE3 4.38Å; L174-W194 HydrophobicContact CD2-CG 4.07Å; L174-W194 HydrophobicContact CD2-CH2 4.48Å; L174-W194 HydrophobicContact CD2-CZ2 3.93Å; L174-W194 HydrophobicContact CG-CG 4.45Å; A175-W194 HydrophobicContact CB-CB 3.78Å; Y178-W194 AromaticContact CD2-CD1 3.84Å; Y178-W194 AromaticContact CE2-CD1 3.68Å; Y178-W194 AromaticContact CE2-NE1 3.68Å; L190-W194 PolarHBondContact O-N 3.24Å; A191-W194 PolarHBondContact O-N 3.11Å; A192-W194 VanDerWaalsContact C-N 3.35Å; A192-W194 PolarHBondContact O-N 3.44Å; W194-L196 VanDerWaalsContact C-N 3.34Å; W194-K197 HydrophobicContact CE3-CB 4.49Å; W194-K197 PolarHBondContact O-N 3.39Å; W194-S198 PolarHBondContact O-N 2.92Å
195	Y	98.9	Very high	98.7	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-46.3	169.7	-76.5	-47	0	0	0	110.8	A175 D176 A191 A192 K197 S198 A199 A206 Q209	A175-Y195 HydrophobicContact CB-CD1 3.4Å; A175-Y195 HydrophobicContact CB-CD2 3.83Å; A175-Y195 HydrophobicContact CB-CE1 3.41Å; A175-Y195 VanDerWaalsContact CB-CE1 3.41Å; A175-Y195 HydrophobicContact CB-CE2 3.85Å; A175-Y195 HydrophobicContact CB-CG 3.59Å; D176-Y195 WeakPolarHBondContact CA-OH 3.48Å; D176-Y195 WeakPolarHBondContact OD1-CE1 3.48Å; D176-Y195 PolarHBondContact OD1-OH 3.45Å; A191-Y195 HydrophobicContact CB-CD2 4.44Å; A191-Y195 HydrophobicContact CB-CE2 4.27Å; A191-Y195 WeakPolarHBondContact O-CD2 3.32Å; A191-Y195 PolarHBondContact O-N 3.34Å; A192-Y195 PolarHBondContact O-N 2.86Å; Y195-K197 VanDerWaalsContact C-N 3.34Å; Y195-K197 PolarHBondContact O-N 2.82Å; Y195-S198 PolarHBondContact O-N 3.5Å; Y195-A199 WeakPolarHBondContact O-CB 3.48Å; Y195-A199 PolarHBondContact O-N 3.5Å; Y195-A206 HydrophobicContact CD1-CB 4.06Å; Y195-Q209 HydrophobicContact CD1-CB 3.88Å; Y195-Q209 HydrophobicContact CD1-CG 4.29Å; Y195-Q209 HydrophobicContact CD2-CB 3.82Å; Y195-Q209 HydrophobicContact CE1-CB 3.86Å; Y195-Q209 HydrophobicContact CE1-CG 3.82Å; Y195-Q209 HydrophobicContact CE2-CB 3.8Å; Y195-Q209 HydrophobicContact CE2-CG 4.23Å; Y195-Q209 HydrophobicContact CG-CB 3.88Å
196	L	98.9	Very high	98.7	Very high	42 Å²	42	53.2 Å²	53.2	22%	0.22	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-44	177.9	-178.4	60.4	0	0	0	112.1	A192 W194 S198 A199 Q200 I210 W230	A192-L196 VanDerWaalsContact O-CB 3.3Å; A192-L196 WeakPolarHBondContact O-CB 3.48Å; A192-L196 PolarHBondContact O-N 3.45Å; W194-L196 VanDerWaalsContact C-N 3.34Å; L196-S198 PolarHBondContact O-N 3.33Å; L196-A199 PolarHBondContact O-N 2.82Å; L196-Q200 HydrophobicContact CD1-CG 4.43Å; L196-Q200 WeakPolarHBondContact O-CB 3.23Å; L196-Q200 VanDerWaalsContact O-CG 3.22Å; L196-Q200 WeakPolarHBondContact O-CG 3.47Å; L196-Q200 PolarHBondContact O-N 3.28Å; L196-I210 HydrophobicContact CB-CD1 4.1Å; L196-I210 HydrophobicContact CB-CG1 4.09Å; L196-I210 HydrophobicContact CD1-CG1 4.22Å; L196-W230 HydrophobicContact CD1-CH2 4.22Å; L196-W230 HydrophobicContact CD1-CZ2 3.49Å; L196-W230 VanDerWaalsContact CD1-CZ2 3.49Å
197	K	98.8	Very high	98.8	Very high	93 Å²	93	47.8 Å²	47.8	40%	0.404	23%	0.233	S	C	.	.	H	α-helix	trans	-59.1	-45	175.3	-76.8	-80.3	-175.2	177.3	0	112.2	Q171 F193 W194 Y195	Q171-K197 VanDerWaalsContact OE1-C 3.22Å; Q171-K197 PolarHBondContact OE1-O 2.82Å; F193-K197 HydrophobicContact CE1-CG 4.37Å; F193-K197 HydrophobicContact CZ-CG 4.33Å; F193-K197 WeakPolarHBondContact O-CG 3.34Å; F193-K197 PolarHBondContact O-N 3.26Å; W194-K197 HydrophobicContact CE3-CB 4.49Å; W194-K197 PolarHBondContact O-N 3.39Å; Y195-K197 VanDerWaalsContact C-N 3.34Å; Y195-K197 PolarHBondContact O-N 2.82Å
198	S	98.9	Very high	98.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.8	-40.4	178.7	-173.9	0	0	0	0	112.1	S168 W194 Y195 L196 Q200 Q201 G202 N203	S168-S198 WeakPolarHBondContact O-CB 3.43Å; S168-S198 PolarHBondContact O-OG 3.41Å; S168-S198 PolarHBondContact OG-O 2.94Å; S168-S198 PolarHBondContact OG-OG 3.18Å; W194-S198 PolarHBondContact O-N 2.92Å; Y195-S198 PolarHBondContact O-N 3.5Å; L196-S198 PolarHBondContact O-N 3.33Å; S198-Q200 VanDerWaalsContact C-N 3.34Å; S198-Q200 PolarHBondContact O-N 2.92Å; S198-Q201 WeakPolarHBondContact O-CB 3.41Å; S198-Q201 PolarHBondContact O-N 3.33Å; S198-G202 PolarHBondContact O-N 3.4Å; S198-N203 PolarHBondContact O-N 3.36Å; S198-N203 WeakPolarHBondContact OG-CB 3.38Å
199	A	98.9	Very high	98.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-38.3	178.7	0	0	0	0	0	112.6	Y195 L196 Q201 G202 A206 Q207 I210 W230	Y195-A199 WeakPolarHBondContact O-CB 3.48Å; Y195-A199 PolarHBondContact O-N 3.5Å; L196-A199 PolarHBondContact O-N 2.82Å; A199-Q201 PolarHBondContact O-N 3.01Å; A199-G202 PolarHBondContact O-N 3.23Å; A199-A206 HydrophobicContact CB-CB 4.14Å; A199-Q207 HydrophobicContact CB-CB 4.34Å; A199-Q207 HydrophobicContact CB-CG 3.67Å; A199-Q207 PolarHBondContact O-NE2 3.4Å; A199-Q207 VanDerWaalsContact O-NE2 3.15Å; A199-I210 HydrophobicContact CB-CG2 3.96Å; A199-W230 HydrophobicContact CB-CE3 4.15Å; A199-W230 HydrophobicContact CB-CH2 4.29Å; A199-W230 HydrophobicContact CB-CZ3 3.84Å
200	Q	98.8	Very high	98.8	Very high	119 Å²	119	41.3 Å²	41.3	56%	0.556	20%	0.195	S	C	*	.	H	α-helix	trans	-61	-27.4	173.9	-76.6	171.3	-10.3	0	0	112.7	L196 S198 G202 W230	L196-Q200 HydrophobicContact CD1-CG 4.43Å; L196-Q200 WeakPolarHBondContact O-CB 3.23Å; L196-Q200 VanDerWaalsContact O-CG 3.22Å; L196-Q200 WeakPolarHBondContact O-CG 3.47Å; L196-Q200 PolarHBondContact O-N 3.28Å; S198-Q200 VanDerWaalsContact C-N 3.34Å; S198-Q200 PolarHBondContact O-N 2.92Å; Q200-G202 VanDerWaalsContact C-N 3.31Å; Q200-W230 HydrophobicContact CG-CH2 4.01Å
201	Q	98.7	Very high	98.8	Very high	103 Å²	103	38.3 Å²	38.3	48%	0.481	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	3.8	175.7	-60.5	-173	72	0	0	113.4	G166 S198 A199	G166-Q201 PolarHBondContact O-NE2 3.02Å; G166-Q201 PolarHBondContact O-OE1 3.49Å; S198-Q201 WeakPolarHBondContact O-CB 3.41Å; S198-Q201 PolarHBondContact O-N 3.33Å; A199-Q201 PolarHBondContact O-N 3.01Å
202	G	98.6	Very high	98.8	Very high	28 Å²	28	43.5 Å²	43.5	29%	0.289	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	1.4	176.8	0	0	0	0	0	115.2	S198 A199 Q200 R204 Q237	S198-G202 PolarHBondContact O-N 3.4Å; A199-G202 PolarHBondContact O-N 3.23Å; Q200-G202 VanDerWaalsContact C-N 3.31Å; G202-R204 PolarHBondContact O-N 3.4Å; G202-Q237 PolarHBondContact O-NE2 2.99Å; G202-Q237 PolarHBondContact O-OE1 3.5Å
203	N	98.8	Very high	98.8	Very high	25 Å²	25	43.6 Å²	43.6	13%	0.134	20%	0.199	C	C	.	.			trans	-63.4	116.1	-179.8	-176.8	-65.1	0	0	0	110.8	D169 S198 H205 A206 Q207	D169-N203 PolarHBondContact OD1-ND2 3.33Å; S198-N203 PolarHBondContact O-N 3.36Å; S198-N203 WeakPolarHBondContact OG-CB 3.38Å; N203-H205 PolarHBondContact O-N 3.48Å; N203-H205 PolarHBondContact OD1-N 3.39Å; N203-A206 HydrophobicContact CB-CB 4.01Å; N203-A206 PolarHBondContact O-N 2.96Å; N203-A206 PolarHBondContact OD1-N 3.01Å; N203-Q207 VanDerWaalsContact O-CG 3.29Å; N203-Q207 WeakPolarHBondContact O-CG 3.5Å; N203-Q207 PolarHBondContact O-N 3.45Å
204	R	98.6	Very high	98.8	Very high	116 Å²	116	40.8 Å²	40.8	44%	0.438	19%	0.186	S	C	.	.	H	α-helix	trans	-60.3	-40.6	-175.5	178.6	-177.9	60.8	74.9	2.1	113.4	G202 F208 Q237	G202-R204 PolarHBondContact O-N 3.4Å; R204-F208 PolarHBondContact O-N 2.72Å; R204-Q237 HydrophobicContact CB-CB 4.18Å; R204-Q237 WeakPolarHBondContact CD-O 3.22Å; R204-Q237 HydrophobicContact CG-CB 3.89Å
205	H	98.5	Very high	98.8	Very high	66 Å²	66	40.9 Å²	40.9	31%	0.306	19%	0.188	S	C	.	.	H	α-helix	trans	-68.8	-47.9	-179.9	-177.7	59.1	0	0	0	110.2	N172 D176 N203 Q207 F208 Q209	N172-H205 PolarHBondContact OD1-CD2 3.38Å; N172-H205 VanDerWaalsContact OD1-CD2 3.23Å; D176-H205 IonicContact OD1-NE2 3.44Å; N203-H205 PolarHBondContact O-N 3.48Å; N203-H205 PolarHBondContact OD1-N 3.39Å; H205-Q207 VanDerWaalsContact C-N 3.29Å; H205-Q207 PolarHBondContact O-N 3.28Å; H205-F208 WeakPolarHBondContact O-CB 3.4Å; H205-F208 PolarHBondContact O-N 3.36Å; H205-Q209 PolarHBondContact CE1-NE2 2.92Å; H205-Q209 PolarHBondContact NE2-NE2 2.9Å; H205-Q209 WeakPolarHBondContact O-CG 3.15Å; H205-Q209 PolarHBondContact O-N 3.08Å
206	A	98.9	Very high	98.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-36.8	177.4	0	0	0	0	0	112.9	N172 Y195 A199 N203 F208 Q209 I210	N172-A206 HydrophobicContact CB-CB 4.48Å; N172-A206 PolarHBondContact OD1-N 2.89Å; Y195-A206 HydrophobicContact CD1-CB 4.06Å; A199-A206 HydrophobicContact CB-CB 4.14Å; N203-A206 HydrophobicContact CB-CB 4.01Å; N203-A206 PolarHBondContact O-N 2.96Å; N203-A206 PolarHBondContact OD1-N 3.01Å; A206-F208 VanDerWaalsContact C-N 3.34Å; A206-Q209 PolarHBondContact O-N 3.04Å; A206-I210 WeakPolarHBondContact O-CB 3.34Å; A206-I210 WeakPolarHBondContact O-CG2 3.38Å; A206-I210 PolarHBondContact O-N 3.31Å
207	Q	98.9	Very high	98.7	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-39.9	173.2	-73.9	174.1	1.3	0	0	112.6	A199 N203 H205 A211 W230 K233 A234 Q237	A199-Q207 HydrophobicContact CB-CB 4.34Å; A199-Q207 HydrophobicContact CB-CG 3.67Å; A199-Q207 PolarHBondContact O-NE2 3.4Å; A199-Q207 VanDerWaalsContact O-NE2 3.15Å; N203-Q207 VanDerWaalsContact O-CG 3.29Å; N203-Q207 WeakPolarHBondContact O-CG 3.5Å; N203-Q207 PolarHBondContact O-N 3.45Å; H205-Q207 VanDerWaalsContact C-N 3.29Å; H205-Q207 PolarHBondContact O-N 3.28Å; Q207-A211 WeakPolarHBondContact O-CB 3.47Å; Q207-A211 PolarHBondContact O-N 2.93Å; Q207-W230 HydrophobicContact CB-CE3 4.46Å; Q207-W230 HydrophobicContact CG-CE3 3.97Å; Q207-W230 HydrophobicContact CG-CZ3 4.16Å; Q207-K233 VanDerWaalsContact OE1-C 3.22Å; Q207-K233 PolarHBondContact OE1-O 3.42Å; Q207-A234 HydrophobicContact CB-CB 3.92Å; Q207-Q237 VanDerWaalsContact CD-NE2 3.32Å
208	F	98.9	Very high	98.6	Very high	34 Å²	34	41.1 Å²	41.1	15%	0.149	21%	0.207	C	C	.	.	H	α-helix	trans	-67.4	-44.5	175	171.2	-95	0	0	0	111.5	R204 H205 A206 A211 W212 Y231 A234 A242	R204-F208 PolarHBondContact O-N 2.72Å; H205-F208 WeakPolarHBondContact O-CB 3.4Å; H205-F208 PolarHBondContact O-N 3.36Å; A206-F208 VanDerWaalsContact C-N 3.34Å; F208-A211 WeakPolarHBondContact O-CB 3.13Å; F208-A211 PolarHBondContact O-N 3.27Å; F208-W212 PolarHBondContact O-N 2.81Å; F208-Y231 HydrophobicContact CD2-CD1 4.04Å; F208-Y231 AromaticContact CD2-CE1 3.75Å; F208-Y231 HydrophobicContact CD2-CE1 3.75Å; F208-Y231 HydrophobicContact CE2-CD1 4.39Å; F208-Y231 AromaticContact CE2-CE1 3.77Å; F208-Y231 HydrophobicContact CE2-CE1 3.77Å; F208-A234 HydrophobicContact CB-CB 4.13Å; F208-A242 HydrophobicContact CD2-CB 4.19Å
209	Q	98.7	Very high	98.5	Very high	41 Å²	41	42.2 Å²	42.2	19%	0.192	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-47.6	-178.5	-64.5	-67.2	56.3	0	0	112	Y195 H205 A206 A211 W212 D213	Y195-Q209 HydrophobicContact CD1-CB 3.88Å; Y195-Q209 HydrophobicContact CD1-CG 4.29Å; Y195-Q209 HydrophobicContact CD2-CB 3.82Å; Y195-Q209 HydrophobicContact CE1-CB 3.86Å; Y195-Q209 HydrophobicContact CE1-CG 3.82Å; Y195-Q209 HydrophobicContact CE2-CB 3.8Å; Y195-Q209 HydrophobicContact CE2-CG 4.23Å; Y195-Q209 HydrophobicContact CG-CB 3.88Å; H205-Q209 PolarHBondContact CE1-NE2 2.92Å; H205-Q209 PolarHBondContact NE2-NE2 2.9Å; H205-Q209 WeakPolarHBondContact O-CG 3.15Å; H205-Q209 PolarHBondContact O-N 3.08Å; A206-Q209 PolarHBondContact O-N 3.04Å; Q209-A211 PolarHBondContact O-N 2.76Å; Q209-W212 CarbonylContact O-C 3.59Å; Q209-W212 WeakPolarHBondContact O-CA 3.29Å; Q209-W212 VanDerWaalsContact O-CB 3.31Å; Q209-W212 WeakPolarHBondContact O-CB 3.45Å; Q209-W212 PolarHBondContact O-N 3.46Å; Q209-D213 VanDerWaalsContact O-CG 3.32Å; Q209-D213 PolarHBondContact O-N 3.42Å
210	I	98.8	Very high	98.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-29.7	178	-162.6	58.7	0	0	0	112.2	A192 L196 A199 A206 D213 Y214 W230	A192-I210 HydrophobicContact CB-CD1 3.86Å; A192-I210 VanDerWaalsContact O-CD1 3.3Å; A192-I210 WeakPolarHBondContact O-CD1 3.4Å; L196-I210 HydrophobicContact CB-CD1 4.1Å; L196-I210 HydrophobicContact CB-CG1 4.09Å; L196-I210 HydrophobicContact CD1-CG1 4.22Å; A199-I210 HydrophobicContact CB-CG2 3.96Å; A206-I210 WeakPolarHBondContact O-CB 3.34Å; A206-I210 WeakPolarHBondContact O-CG2 3.38Å; A206-I210 PolarHBondContact O-N 3.31Å; I210-D213 HydrophobicContact CD1-CB 4.25Å; I210-Y214 HydrophobicContact CD1-CE2 4.27Å; I210-Y214 HydrophobicContact CG1-CD2 4.06Å; I210-Y214 HydrophobicContact CG1-CE2 3.78Å; I210-Y214 WeakPolarHBondContact O-CD2 3.49Å; I210-Y214 PolarHBondContact O-N 3.38Å; I210-W230 HydrophobicContact CG2-CB 4.01Å; I210-W230 HydrophobicContact CG2-CD2 3.84Å; I210-W230 HydrophobicContact CG2-CE3 4.32Å; I210-W230 HydrophobicContact CG2-CG 3.68Å
211	A	98.8	Very high	98.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.4	-41	172.6	0	0	0	0	0	111.9	Q207 F208 Q209 Y214 N215 A227 W230 Y231	Q207-A211 WeakPolarHBondContact O-CB 3.47Å; Q207-A211 PolarHBondContact O-N 2.93Å; F208-A211 WeakPolarHBondContact O-CB 3.13Å; F208-A211 PolarHBondContact O-N 3.27Å; Q209-A211 PolarHBondContact O-N 2.76Å; A211-Y214 PolarHBondContact O-N 3.24Å; A211-N215 WeakPolarHBondContact O-CB 3.4Å; A211-N215 PolarHBondContact O-N 3.48Å; A211-A227 WeakPolarHBondContact CB-O 3.48Å; A211-A227 VanDerWaalsContact O-CB 3.28Å; A211-A227 WeakPolarHBondContact O-CB 3.07Å; A211-W230 HydrophobicContact CB-CB 3.58Å; A211-Y231 HydrophobicContact CB-CD1 3.32Å; A211-Y231 HydrophobicContact CB-CD2 3.85Å; A211-Y231 HydrophobicContact CB-CE1 3.4Å; A211-Y231 VanDerWaalsContact CB-CE1 3.4Å; A211-Y231 HydrophobicContact CB-CE2 3.94Å; A211-Y231 HydrophobicContact CB-CG 3.54Å
212	W	98.6	Very high	98.5	Very high	108 Å²	108	45.4 Å²	45.4	41%	0.409	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-45.8	173.6	-178.9	-84.5	0	0	0	111.7	F208 Q209 Y214 N215 A216 Y231	F208-W212 PolarHBondContact O-N 2.81Å; Q209-W212 CarbonylContact O-C 3.59Å; Q209-W212 WeakPolarHBondContact O-CA 3.29Å; Q209-W212 VanDerWaalsContact O-CB 3.31Å; Q209-W212 WeakPolarHBondContact O-CB 3.45Å; Q209-W212 PolarHBondContact O-N 3.46Å; W212-Y214 VanDerWaalsContact C-N 3.34Å; W212-Y214 PolarHBondContact O-N 2.92Å; W212-N215 WeakPolarHBondContact O-CB 3.2Å; W212-N215 PolarHBondContact O-N 2.9Å; W212-A216 WeakPolarHBondContact O-CB 3.43Å; W212-A216 PolarHBondContact O-N 2.97Å; W212-Y231 VanDerWaalsContact CA-OH 3.24Å; W212-Y231 WeakPolarHBondContact CA-OH 3.48Å; W212-Y231 PolarHBondContact N-OH 3.15Å
213	D	98.7	Very high	98.5	Very high	4 Å²	4	47 Å²	47	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-56.1	-47.2	176.2	-66.5	-12.7	0	0	0	111.3	A192 Q209 I210 N215 G217 E218 V220	A192-D213 HydrophobicContact CB-CB 4.46Å; A192-D213 WeakPolarHBondContact CB-OD2 3.39Å; Q209-D213 VanDerWaalsContact O-CG 3.32Å; Q209-D213 PolarHBondContact O-N 3.42Å; I210-D213 HydrophobicContact CD1-CB 4.25Å; D213-N215 PolarHBondContact O-N 3.41Å; D213-G217 CarbonylContact O-C 3.1Å; D213-G217 VanDerWaalsContact O-CA 3.31Å; D213-G217 WeakPolarHBondContact O-CA 3.22Å; D213-G217 PolarHBondContact O-N 3.36Å; D213-E218 WeakPolarHBondContact CB-O 3.48Å; D213-E218 PolarHBondContact O-N 3.39Å; D213-V220 HydrophobicContact CB-CG2 4.01Å
214	Y	98.8	Very high	98.5	Very high	38 Å²	38	49 Å²	49	15%	0.149	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-33.5	174.6	-80.5	-58.6	0	0	0	113.6	I210 A211 W212 V220 Q222 D223 Q226 W230	I210-Y214 HydrophobicContact CD1-CE2 4.27Å; I210-Y214 HydrophobicContact CG1-CD2 4.06Å; I210-Y214 HydrophobicContact CG1-CE2 3.78Å; I210-Y214 WeakPolarHBondContact O-CD2 3.49Å; I210-Y214 PolarHBondContact O-N 3.38Å; A211-Y214 PolarHBondContact O-N 3.24Å; W212-Y214 VanDerWaalsContact C-N 3.34Å; W212-Y214 PolarHBondContact O-N 2.92Å; Y214-V220 HydrophobicContact CD1-CB 4.21Å; Y214-V220 HydrophobicContact CD1-CG2 3.54Å; Y214-V220 HydrophobicContact CE1-CB 4.02Å; Y214-V220 HydrophobicContact CE1-CG1 4.44Å; Y214-V220 HydrophobicContact CE1-CG2 3.82Å; Y214-V220 HydrophobicContact CG-CG2 4.03Å; Y214-Q222 CarbonylContact O-C 3.59Å; Y214-Q222 WeakPolarHBondContact O-CA 3.4Å; Y214-D223 HydrophobicContact CD1-CB 4.04Å; Y214-D223 PolarHBondContact O-N 3.31Å; Y214-Q226 HydrophobicContact CD1-CB 3.8Å; Y214-Q226 HydrophobicContact CD1-CG 4.37Å; Y214-Q226 HydrophobicContact CD2-CB 3.59Å; Y214-Q226 HydrophobicContact CE1-CB 4.05Å; Y214-Q226 HydrophobicContact CE1-CG 4.21Å; Y214-Q226 HydrophobicContact CE2-CB 3.85Å; Y214-Q226 HydrophobicContact CE2-CG 4.42Å; Y214-Q226 HydrophobicContact CG-CB 3.58Å; Y214-W230 AromaticContact CD2-CD1 3.81Å; Y214-W230 AromaticContact CE2-CD1 3.82Å; Y214-W230 AromaticContact CE2-NE1 3.77Å
215	N	98.5	Very high	98.5	Very high	29 Å²	29	50.6 Å²	50.6	16%	0.155	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-43.2	178.6	-171.4	-80.7	0	0	0	111.1	A211 W212 D213 Q222 A227 Y231	A211-N215 WeakPolarHBondContact O-CB 3.4Å; A211-N215 PolarHBondContact O-N 3.48Å; W212-N215 WeakPolarHBondContact O-CB 3.2Å; W212-N215 PolarHBondContact O-N 2.9Å; D213-N215 PolarHBondContact O-N 3.41Å; N215-Q222 PolarHBondContact O-NE2 2.91Å; N215-A227 HydrophobicContact CB-CB 3.87Å; N215-Y231 HydrophobicContact CB-CE2 4.31Å
216	A	97.9	Very high	98.5	Very high	47 Å²	47	50.9 Å²	50.9	39%	0.388	26%	0.26	S	S	.	.	H	α-helix	trans	-87.5	-18.8	-176.9	0	0	0	0	0	113.4	W212 E218	W212-A216 WeakPolarHBondContact O-CB 3.43Å; W212-A216 PolarHBondContact O-N 2.97Å; A216-E218 HydrophobicContact CB-CG 3.82Å
217	G	98.2	Very high	98.5	Very high	32 Å²	32	50.9 Å²	50.9	33%	0.33	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	34.6	-170.2	0	0	0	0	0	112.4	D213 V220	D213-G217 CarbonylContact O-C 3.1Å; D213-G217 VanDerWaalsContact O-CA 3.31Å; D213-G217 WeakPolarHBondContact O-CA 3.22Å; D213-G217 PolarHBondContact O-N 3.36Å; G217-V220 CarbonylContact C-O 3.6Å; G217-V220 VanDerWaalsContact CA-O 3.27Å; G217-V220 WeakPolarHBondContact CA-O 3.47Å
218	E	96.8	Very high	98.5	Very high	65 Å²	65	51 Å²	51	30%	0.304	26%	0.261	S	S	.	.	S	Bend	trans	-97	119.2	-179.2	-68.8	-158	141.2	0	0	110.6	K188 D213 A216 V220	K188-E218 HydrophobicContact CD-CB 4.14Å; K188-E218 IonicContact NZ-OE1 2.82Å; K188-E218 PolarHBondContact NZ-OE1 3.22Å; K188-E218 IonicContact NZ-OE2 2.63Å; K188-E218 PolarHBondContact NZ-OE2 2.88Å; D213-E218 WeakPolarHBondContact CB-O 3.48Å; D213-E218 PolarHBondContact O-N 3.39Å; A216-E218 HydrophobicContact CB-CG 3.82Å; E218-V220 PolarHBondContact O-N 2.64Å
219	G	97.6	Very high	98.5	Very high	24 Å²	24	54.7 Å²	54.7	25%	0.247	27%	0.274	C	S	.	.	S	Bend	trans	72.4	-19.9	-178	0	0	0	0	0	115.2	T189	T189-G219 WeakPolarHBondContact CA-O 3.45Å; T189-G219 PolarHBondContact OG1-O 2.8Å
220	V	98.6	Very high	98.5	Very high	35 Å²	35	53.3 Å²	53.3	21%	0.212	27%	0.267	C	S	.	.	S	Bend	trans	-132	161.5	175.1	-63.7	0	0	0	0	110.6	A192 D213 Y214 G217 E218	A192-V220 HydrophobicContact CB-CG1 3.68Å; D213-V220 HydrophobicContact CB-CG2 4.01Å; Y214-V220 HydrophobicContact CD1-CB 4.21Å; Y214-V220 HydrophobicContact CD1-CG2 3.54Å; Y214-V220 HydrophobicContact CE1-CB 4.02Å; Y214-V220 HydrophobicContact CE1-CG1 4.44Å; Y214-V220 HydrophobicContact CE1-CG2 3.82Å; Y214-V220 HydrophobicContact CG-CG2 4.03Å; G217-V220 CarbonylContact C-O 3.6Å; G217-V220 VanDerWaalsContact CA-O 3.27Å; G217-V220 WeakPolarHBondContact CA-O 3.47Å; E218-V220 PolarHBondContact O-N 2.64Å
221	D	98.5	Very high	98.5	Very high	149 Å²	149	53.3 Å²	53.3	80%	0.797	27%	0.267	S	S	*	.			trans	-62.3	138.3	170.1	-66.5	-30.2	0	0	0	110.2	D223	D221-D223 PolarHBondContact O-N 3.16Å
222	Q	98.5	Very high	98.5	Very high	104 Å²	104	56.6 Å²	56.6	49%	0.486	28%	0.284	S	S	.	.			trans	-60.8	122.8	176.9	-176.5	176.7	68.5	0	0	110.2	Y214 N215 Y224	Y214-Q222 CarbonylContact O-C 3.59Å; Y214-Q222 WeakPolarHBondContact O-CA 3.4Å; N215-Q222 PolarHBondContact O-NE2 2.91Å; Q222-Y224 HydrophobicContact CG-CE1 4.38Å; Q222-Y224 HydrophobicContact CG-CE2 4.34Å; Q222-Y224 PolarHBondContact NE2-OH 3.03Å; Q222-Y224 VanDerWaalsContact NE2-OH 3.09Å; Q222-Y224 PolarHBondContact OE1-OH 3.28Å
223	D	98.7	Very high	98.5	Very high	62 Å²	62	54.9 Å²	54.9	33%	0.332	28%	0.28	S	S	.	.			trans	-144.4	98	177.1	-174.2	-23.5	0	0	0	109.7	Y214 D221 K225 Q226 A227	Y214-D223 HydrophobicContact CD1-CB 4.04Å; Y214-D223 PolarHBondContact O-N 3.31Å; D221-D223 PolarHBondContact O-N 3.16Å; D223-K225 PolarHBondContact O-N 2.94Å; D223-K225 WeakPolarHBondContact OD1-CA 3.37Å; D223-K225 WeakPolarHBondContact OD1-CB 3.5Å; D223-K225 PolarHBondContact OD1-N 2.82Å; D223-Q226 HydrophobicContact CB-CB 4.03Å; D223-Q226 HydrophobicContact CB-CG 4.04Å; D223-Q226 PolarHBondContact O-N 3.49Å; D223-Q226 VanDerWaalsContact O-N 3.16Å; D223-Q226 PolarHBondContact OD1-N 2.67Å; D223-Q226 VanDerWaalsContact OD1-N 3.09Å; D223-Q226 WeakPolarHBondContact OD2-CG 3.4Å; D223-A227 PolarHBondContact O-N 2.8Å
224	Y	98.7	Very high	98.5	Very high	66 Å²	66	54.7 Å²	54.7	26%	0.259	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-24.8	179.3	-62.5	-63.4	0	0	0	113.5	Q222 M228 M249 Q254 G255	Q222-Y224 HydrophobicContact CG-CE1 4.38Å; Q222-Y224 HydrophobicContact CG-CE2 4.34Å; Q222-Y224 PolarHBondContact NE2-OH 3.03Å; Q222-Y224 VanDerWaalsContact NE2-OH 3.09Å; Q222-Y224 PolarHBondContact OE1-OH 3.28Å; Y224-M228 WeakPolarHBondContact O-CB 3.45Å; Y224-M228 PolarHBondContact O-N 3.14Å; Y224-M249 HydrophobicContact CD1-CE 4.47Å; Y224-M249 WeakPolarHBondContact O-CE 3.29Å; Y224-Q254 HydrophobicContact CD1-CB 3.76Å; Y224-Q254 HydrophobicContact CD1-CG 4.24Å; Y224-Q254 HydrophobicContact CD2-CB 4.38Å; Y224-Q254 HydrophobicContact CE1-CB 4.07Å; Y224-Q254 HydrophobicContact CE1-CG 4.02Å; Y224-Q254 HydrophobicContact CE2-CG 4.47Å; Y224-Q254 HydrophobicContact CG-CB 3.92Å; Y224-Q254 PolarHBondContact OH-NE2 2.82Å; Y224-G255 VanDerWaalsContact CB-CA 3.43Å; Y224-G255 VanDerWaalsContact CB-N 3.32Å
225	K	98.6	Very high	98.5	Very high	151 Å²	151	53.1 Å²	53.1	66%	0.657	27%	0.274	S	S	*	.	H	α-helix	trans	-72.6	-41	176.2	-66.5	-178.6	179	178.9	0	110.5	D223 M228 Y229	D223-K225 PolarHBondContact O-N 2.94Å; D223-K225 WeakPolarHBondContact OD1-CA 3.37Å; D223-K225 WeakPolarHBondContact OD1-CB 3.5Å; D223-K225 PolarHBondContact OD1-N 2.82Å; K225-M228 PolarHBondContact O-N 3.1Å; K225-Y229 WeakPolarHBondContact O-CB 3.44Å; K225-Y229 PolarHBondContact O-N 3.15Å
226	Q	98.6	Very high	98.5	Very high	72 Å²	72	56 Å²	56	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-42.9	172.8	-69.4	-64.5	-33.1	0	0	111.6	Y214 D223 M228 Y229 W230	Y214-Q226 HydrophobicContact CD1-CB 3.8Å; Y214-Q226 HydrophobicContact CD1-CG 4.37Å; Y214-Q226 HydrophobicContact CD2-CB 3.59Å; Y214-Q226 HydrophobicContact CE1-CB 4.05Å; Y214-Q226 HydrophobicContact CE1-CG 4.21Å; Y214-Q226 HydrophobicContact CE2-CB 3.85Å; Y214-Q226 HydrophobicContact CE2-CG 4.42Å; Y214-Q226 HydrophobicContact CG-CB 3.58Å; D223-Q226 HydrophobicContact CB-CB 4.03Å; D223-Q226 HydrophobicContact CB-CG 4.04Å; D223-Q226 PolarHBondContact O-N 3.49Å; D223-Q226 VanDerWaalsContact O-N 3.16Å; D223-Q226 PolarHBondContact OD1-N 2.67Å; D223-Q226 VanDerWaalsContact OD1-N 3.09Å; D223-Q226 WeakPolarHBondContact OD2-CG 3.4Å; Q226-M228 PolarHBondContact O-N 2.73Å; Q226-Y229 WeakPolarHBondContact O-CB 3.5Å; Q226-Y229 PolarHBondContact O-N 3.16Å; Q226-W230 PolarHBondContact O-N 3.46Å
227	A	98.8	Very high	98.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.8	-50.9	174.9	0	0	0	0	0	111.5	A211 N215 D223 Y229 W230 Y231 M249	A211-A227 WeakPolarHBondContact CB-O 3.48Å; A211-A227 VanDerWaalsContact O-CB 3.28Å; A211-A227 WeakPolarHBondContact O-CB 3.07Å; N215-A227 HydrophobicContact CB-CB 3.87Å; D223-A227 PolarHBondContact O-N 2.8Å; A227-Y229 VanDerWaalsContact C-N 3.34Å; A227-Y229 PolarHBondContact O-N 3.04Å; A227-W230 PolarHBondContact O-N 3.38Å; A227-Y231 HydrophobicContact CB-CD2 4.39Å; A227-Y231 HydrophobicContact CB-CE2 4.21Å; A227-Y231 WeakPolarHBondContact O-CB 3.39Å; A227-Y231 WeakPolarHBondContact O-CD2 3.13Å; A227-Y231 PolarHBondContact O-N 2.7Å; A227-M249 HydrophobicContact CB-CE 3.99Å; A227-M249 HydrophobicContact CB-SD 4.42Å
228	M	98.8	Very high	98.5	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.049	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-45.2	177.9	-179.4	57.2	75.8	0	0	111.6	Y224 K225 Q226 W230 Y231 L232 I246 M249 Y250 V256	Y224-M228 WeakPolarHBondContact O-CB 3.45Å; Y224-M228 PolarHBondContact O-N 3.14Å; K225-M228 PolarHBondContact O-N 3.1Å; Q226-M228 PolarHBondContact O-N 2.73Å; M228-W230 PolarHBondContact O-N 3.15Å; M228-Y231 PolarHBondContact O-N 3.46Å; M228-L232 HydrophobicContact CG-CD1 3.91Å; M228-L232 HydrophobicContact CG-CG 4.41Å; M228-L232 WeakPolarHBondContact O-CB 3.44Å; M228-L232 VanDerWaalsContact O-CG 3.3Å; M228-L232 WeakPolarHBondContact O-CG 3.14Å; M228-L232 PolarHBondContact O-N 3.05Å; M228-L232 HydrophobicContact SD-CD1 3.99Å; M228-L232 HydrophobicContact SD-CD2 4.49Å; M228-L232 HydrophobicContact SD-CG 3.94Å; M228-I246 HydrophobicContact CE-CG2 4.09Å; M228-I246 HydrophobicContact SD-CG1 4.11Å; M228-I246 HydrophobicContact SD-CG2 3.98Å; M228-M249 HydrophobicContact CB-CE 3.71Å; M228-M249 HydrophobicContact CB-SD 4.39Å; M228-M249 HydrophobicContact CE-CB 3.49Å; M228-M249 VanDerWaalsContact CE-CB 3.49Å; M228-M249 HydrophobicContact CE-CE 4.12Å; M228-M249 HydrophobicContact CE-CG 4.33Å; M228-M249 HydrophobicContact CE-SD 3.97Å; M228-Y250 HydrophobicContact CE-CD2 4.33Å; M228-Y250 HydrophobicContact CE-CE2 4.15Å; M228-V256 HydrophobicContact CE-CB 4.38Å; M228-V256 HydrophobicContact CE-CG1 3.7Å; M228-V256 HydrophobicContact CE-CG2 3.73Å; M228-V256 HydrophobicContact CG-CG1 3.83Å; M228-V256 HydrophobicContact SD-CG1 4.43Å
229	Y	98.7	Very high	98.6	Very high	111 Å²	111	55.8 Å²	55.8	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-56.6	-48.5	178.5	173.1	-98.5	0	0	0	112.4	K225 Q226 A227 K233	K225-Y229 WeakPolarHBondContact O-CB 3.44Å; K225-Y229 PolarHBondContact O-N 3.15Å; Q226-Y229 WeakPolarHBondContact O-CB 3.5Å; Q226-Y229 PolarHBondContact O-N 3.16Å; A227-Y229 VanDerWaalsContact C-N 3.34Å; A227-Y229 PolarHBondContact O-N 3.04Å; Y229-K233 HydrophobicContact CE1-CD 4.1Å; Y229-K233 PolarHBondContact O-N 3.07Å; Y229-K233 WeakPolarHBondContact OH-CE 3.49Å; Y229-K233 PolarHBondContact OH-NZ 3.11Å
230	W	98.9	Very high	98.6	Very high	12 Å²	12	56.8 Å²	56.8	5%	0.045	30%	0.296	C	S	.	.	H	α-helix	trans	-74.1	-36.9	-178.5	-72	116.1	0	0	0	112.7	L196 A199 Q200 Q207 I210 A211 Y214 Q226 A227 M228 L232 K233 A234	L196-W230 HydrophobicContact CD1-CH2 4.22Å; L196-W230 HydrophobicContact CD1-CZ2 3.49Å; L196-W230 VanDerWaalsContact CD1-CZ2 3.49Å; A199-W230 HydrophobicContact CB-CE3 4.15Å; A199-W230 HydrophobicContact CB-CH2 4.29Å; A199-W230 HydrophobicContact CB-CZ3 3.84Å; Q200-W230 HydrophobicContact CG-CH2 4.01Å; Q207-W230 HydrophobicContact CB-CE3 4.46Å; Q207-W230 HydrophobicContact CG-CE3 3.97Å; Q207-W230 HydrophobicContact CG-CZ3 4.16Å; I210-W230 HydrophobicContact CG2-CB 4.01Å; I210-W230 HydrophobicContact CG2-CD2 3.84Å; I210-W230 HydrophobicContact CG2-CE3 4.32Å; I210-W230 HydrophobicContact CG2-CG 3.68Å; A211-W230 HydrophobicContact CB-CB 3.58Å; Y214-W230 AromaticContact CD2-CD1 3.81Å; Y214-W230 AromaticContact CE2-CD1 3.82Å; Y214-W230 AromaticContact CE2-NE1 3.77Å; Q226-W230 PolarHBondContact O-N 3.46Å; A227-W230 PolarHBondContact O-N 3.38Å; M228-W230 PolarHBondContact O-N 3.15Å; W230-L232 VanDerWaalsContact C-N 3.34Å; W230-L232 PolarHBondContact O-N 3.34Å; W230-K233 HydrophobicContact CE3-CD 3.85Å; W230-K233 HydrophobicContact CZ3-CD 3.78Å; W230-K233 PolarHBondContact O-N 3.22Å; W230-A234 PolarHBondContact O-N 2.76Å
231	Y	98.8	Very high	98.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-43	172.2	-76.2	-47.5	0	0	0	111.9	F208 A211 W212 N215 A227 M228 K233 A234 A235 A242 N245 I246 M249	F208-Y231 HydrophobicContact CD2-CD1 4.04Å; F208-Y231 AromaticContact CD2-CE1 3.75Å; F208-Y231 HydrophobicContact CD2-CE1 3.75Å; F208-Y231 HydrophobicContact CE2-CD1 4.39Å; F208-Y231 AromaticContact CE2-CE1 3.77Å; F208-Y231 HydrophobicContact CE2-CE1 3.77Å; A211-Y231 HydrophobicContact CB-CD1 3.32Å; A211-Y231 HydrophobicContact CB-CD2 3.85Å; A211-Y231 HydrophobicContact CB-CE1 3.4Å; A211-Y231 VanDerWaalsContact CB-CE1 3.4Å; A211-Y231 HydrophobicContact CB-CE2 3.94Å; A211-Y231 HydrophobicContact CB-CG 3.54Å; W212-Y231 VanDerWaalsContact CA-OH 3.24Å; W212-Y231 WeakPolarHBondContact CA-OH 3.48Å; W212-Y231 PolarHBondContact N-OH 3.15Å; N215-Y231 HydrophobicContact CB-CE2 4.31Å; A227-Y231 HydrophobicContact CB-CD2 4.39Å; A227-Y231 HydrophobicContact CB-CE2 4.21Å; A227-Y231 WeakPolarHBondContact O-CB 3.39Å; A227-Y231 WeakPolarHBondContact O-CD2 3.13Å; A227-Y231 PolarHBondContact O-N 2.7Å; M228-Y231 PolarHBondContact O-N 3.46Å; Y231-K233 VanDerWaalsContact C-N 3.28Å; Y231-K233 PolarHBondContact O-N 3.4Å; Y231-A234 PolarHBondContact O-N 3.37Å; Y231-A235 WeakPolarHBondContact O-CB 3.12Å; Y231-A235 PolarHBondContact O-N 3.47Å; Y231-A242 HydrophobicContact CD1-CB 3.98Å; Y231-A242 WeakPolarHBondContact O-CB 3.35Å; Y231-N245 HydrophobicContact CD1-CB 4.18Å; Y231-N245 HydrophobicContact CD2-CB 4.05Å; Y231-N245 HydrophobicContact CE1-CB 3.8Å; Y231-N245 HydrophobicContact CE2-CB 3.64Å; Y231-N245 HydrophobicContact CG-CB 4.32Å; Y231-I246 HydrophobicContact CG-CG1 4.43Å; Y231-M249 HydrophobicContact CD2-SD 3.64Å; Y231-M249 HydrophobicContact CE2-SD 3.86Å
232	L	98.8	Very high	98.6	Very high	69 Å²	69	49.3 Å²	49.3	36%	0.361	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-38.1	177.4	-75.8	167.8	0	0	0	112	M228 W230 A236 I246 W266	M228-L232 HydrophobicContact CG-CD1 3.91Å; M228-L232 HydrophobicContact CG-CG 4.41Å; M228-L232 WeakPolarHBondContact O-CB 3.44Å; M228-L232 VanDerWaalsContact O-CG 3.3Å; M228-L232 WeakPolarHBondContact O-CG 3.14Å; M228-L232 PolarHBondContact O-N 3.05Å; M228-L232 HydrophobicContact SD-CD1 3.99Å; M228-L232 HydrophobicContact SD-CD2 4.49Å; M228-L232 HydrophobicContact SD-CG 3.94Å; W230-L232 VanDerWaalsContact C-N 3.34Å; W230-L232 PolarHBondContact O-N 3.34Å; L232-A236 WeakPolarHBondContact O-CB 3.45Å; L232-A236 PolarHBondContact O-N 2.92Å; L232-I246 HydrophobicContact CD2-CD1 4.04Å; L232-I246 HydrophobicContact CG-CD1 4.38Å; L232-W266 HydrophobicContact CD2-CH2 4Å; L232-W266 HydrophobicContact CD2-CZ2 3.69Å
233	K	98.8	Very high	98.6	Very high	73 Å²	73	46.1 Å²	46.1	32%	0.317	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-45.4	173.3	-74.1	-171.3	169.4	-176.2	0	112.6	Q207 Y229 W230 Y231 A235 A236 Q237	Q207-K233 VanDerWaalsContact OE1-C 3.22Å; Q207-K233 PolarHBondContact OE1-O 3.42Å; Y229-K233 HydrophobicContact CE1-CD 4.1Å; Y229-K233 PolarHBondContact O-N 3.07Å; Y229-K233 WeakPolarHBondContact OH-CE 3.49Å; Y229-K233 PolarHBondContact OH-NZ 3.11Å; W230-K233 HydrophobicContact CE3-CD 3.85Å; W230-K233 HydrophobicContact CZ3-CD 3.78Å; W230-K233 PolarHBondContact O-N 3.22Å; Y231-K233 VanDerWaalsContact C-N 3.28Å; Y231-K233 PolarHBondContact O-N 3.4Å; K233-A235 VanDerWaalsContact C-N 3.31Å; K233-A235 PolarHBondContact O-N 3.44Å; K233-A236 PolarHBondContact O-N 2.99Å; K233-Q237 PolarHBondContact O-N 3.5Å
234	A	98.9	Very high	98.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-38.8	177.3	0	0	0	0	0	111.7	Q207 F208 W230 Y231 Q237 G238 S239 A242	Q207-A234 HydrophobicContact CB-CB 3.92Å; F208-A234 HydrophobicContact CB-CB 4.13Å; W230-A234 PolarHBondContact O-N 2.76Å; Y231-A234 PolarHBondContact O-N 3.37Å; A234-Q237 CarbonylContact O-C 2.99Å; A234-Q237 PolarHBondContact O-N 3.47Å; A234-Q237 VanDerWaalsContact O-N 3.13Å; A234-G238 PolarHBondContact O-N 3.14Å; A234-S239 WeakPolarHBondContact O-CB 3.02Å; A234-S239 PolarHBondContact O-N 3.21Å; A234-A242 HydrophobicContact CB-CB 3.95Å
235	A	98.7	Very high	98.6	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-40.7	176.5	0	0	0	0	0	112.3	Y231 K233 Q237 G238 A242 Y243 I246 W266	Y231-A235 WeakPolarHBondContact O-CB 3.12Å; Y231-A235 PolarHBondContact O-N 3.47Å; K233-A235 VanDerWaalsContact C-N 3.31Å; K233-A235 PolarHBondContact O-N 3.44Å; A235-Q237 PolarHBondContact O-N 3.47Å; A235-Q237 VanDerWaalsContact O-N 3.12Å; A235-G238 PolarHBondContact O-N 3.36Å; A235-A242 HydrophobicContact CB-CB 4.05Å; A235-Y243 HydrophobicContact CB-CD1 3.65Å; A235-Y243 HydrophobicContact CB-CE1 3.55Å; A235-Y243 VanDerWaalsContact O-CE1 3.27Å; A235-Y243 WeakPolarHBondContact O-CE1 3.27Å; A235-Y243 PolarHBondContact O-OH 2.97Å; A235-Y243 VanDerWaalsContact O-OH 3.11Å; A235-I246 HydrophobicContact CB-CD1 3.66Å; A235-W266 HydrophobicContact CB-CH2 4.13Å; A235-W266 HydrophobicContact CB-CZ3 3.91Å
236	A	98.6	Very high	98.6	Very high	90 Å²	90	34.5 Å²	34.5	74%	0.744	20%	0.195	S	C	*	.	H	α-helix	trans	-60.6	-19.8	173.9	0	0	0	0	0	113.1	L232 K233	L232-A236 WeakPolarHBondContact O-CB 3.45Å; L232-A236 PolarHBondContact O-N 2.92Å; K233-A236 PolarHBondContact O-N 2.99Å
237	Q	98.4	Very high	98.6	Very high	93 Å²	93	31 Å²	31	44%	0.435	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	12.3	175.5	-58.4	-170.5	70.2	0	0	113.6	G202 R204 Q207 K233 A234 A235	G202-Q237 PolarHBondContact O-NE2 2.99Å; G202-Q237 PolarHBondContact O-OE1 3.5Å; R204-Q237 HydrophobicContact CB-CB 4.18Å; R204-Q237 WeakPolarHBondContact CD-O 3.22Å; R204-Q237 HydrophobicContact CG-CB 3.89Å; Q207-Q237 VanDerWaalsContact CD-NE2 3.32Å; K233-Q237 PolarHBondContact O-N 3.5Å; A234-Q237 CarbonylContact O-C 2.99Å; A234-Q237 PolarHBondContact O-N 3.47Å; A234-Q237 VanDerWaalsContact O-N 3.13Å; A235-Q237 PolarHBondContact O-N 3.47Å; A235-Q237 VanDerWaalsContact O-N 3.12Å
238	G	97.7	Very high	98.6	Very high	38 Å²	38	34 Å²	34	39%	0.392	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	19.7	177.1	0	0	0	0	0	115.4	A234 A235 V240 Y243	A234-G238 PolarHBondContact O-N 3.14Å; A235-G238 PolarHBondContact O-N 3.36Å; G238-V240 PolarHBondContact O-N 3.07Å; G238-V240 VanDerWaalsContact O-N 3.12Å; G238-Y243 WeakPolarHBondContact CA-OH 3.44Å
239	S	98.4	Very high	98.6	Very high	9 Å²	9	33.6 Å²	33.6	6%	0.063	19%	0.188	C	C	.	.			trans	-72.3	103.2	175.1	-171.6	0	0	0	0	111.6	A234 G241 A242 Y243	A234-S239 WeakPolarHBondContact O-CB 3.02Å; A234-S239 PolarHBondContact O-N 3.21Å; S239-G241 VanDerWaalsContact C-N 3.32Å; S239-G241 PolarHBondContact O-N 3.13Å; S239-A242 WeakPolarHBondContact O-CA 3.42Å; S239-A242 VanDerWaalsContact O-CB 3.31Å; S239-A242 WeakPolarHBondContact O-CB 3.45Å; S239-A242 PolarHBondContact O-N 3.29Å; S239-Y243 PolarHBondContact O-N 3.46Å
240	V	98.2	Very high	98.6	Very high	45 Å²	45	30.8 Å²	30.8	27%	0.273	18%	0.177	S	C	.	.	H	α-helix	trans	-58.8	-42.4	179.2	-177.5	0	0	0	0	111.8	G238 A242 Y243 V244 A270 C273 D275	G238-V240 PolarHBondContact O-N 3.07Å; G238-V240 VanDerWaalsContact O-N 3.12Å; V240-A242 PolarHBondContact O-N 3.22Å; V240-Y243 WeakPolarHBondContact O-CB 3.32Å; V240-Y243 PolarHBondContact O-N 3.3Å; V240-Y243 VanDerWaalsContact O-N 3.08Å; V240-V244 PolarHBondContact O-N 3.47Å; V240-A270 HydrophobicContact CG1-CB 4.42Å; V240-C273 HydrophobicContact CG1-CB 3.97Å; V240-C273 HydrophobicContact CG2-CB 3.68Å; V240-D275 HydrophobicContact CG1-CB 3.86Å
241	G	97.9	Very high	98.5	Very high	26 Å²	26	31 Å²	31	27%	0.268	18%	0.178	S	C	.	.	H	α-helix	trans	-59.4	-32.5	174.9	0	0	0	0	0	112.7	S239 N245	S239-G241 VanDerWaalsContact C-N 3.32Å; S239-G241 PolarHBondContact O-N 3.13Å; G241-N245 PolarHBondContact O-N 3.04Å; G241-N245 PolarHBondContact O-ND2 3.37Å
242	A	98.7	Very high	98.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.6	-39.2	175.6	0	0	0	0	0	111.7	F208 Y231 A234 A235 S239 V240 V244 N245 I246	F208-A242 HydrophobicContact CD2-CB 4.19Å; Y231-A242 HydrophobicContact CD1-CB 3.98Å; Y231-A242 WeakPolarHBondContact O-CB 3.35Å; A234-A242 HydrophobicContact CB-CB 3.95Å; A235-A242 HydrophobicContact CB-CB 4.05Å; S239-A242 WeakPolarHBondContact O-CA 3.42Å; S239-A242 VanDerWaalsContact O-CB 3.31Å; S239-A242 WeakPolarHBondContact O-CB 3.45Å; S239-A242 PolarHBondContact O-N 3.29Å; V240-A242 PolarHBondContact O-N 3.22Å; A242-V244 VanDerWaalsContact C-N 3.32Å; A242-V244 PolarHBondContact O-N 3.38Å; A242-N245 PolarHBondContact O-N 3.47Å; A242-I246 WeakPolarHBondContact O-CB 3.09Å; A242-I246 WeakPolarHBondContact O-CD1 3.46Å; A242-I246 WeakPolarHBondContact O-CG1 3.45Å; A242-I246 PolarHBondContact O-N 3.23Å
243	Y	98.7	Very high	98.4	Very high	38 Å²	38	33.8 Å²	33.8	15%	0.149	20%	0.197	C	C	.	.	H	α-helix	trans	-56.1	-46.8	175.4	-58.9	-23.8	0	0	0	111.9	A235 G238 S239 V240 I246 G247 W266 K269	A235-Y243 HydrophobicContact CB-CD1 3.65Å; A235-Y243 HydrophobicContact CB-CE1 3.55Å; A235-Y243 VanDerWaalsContact O-CE1 3.27Å; A235-Y243 WeakPolarHBondContact O-CE1 3.27Å; A235-Y243 PolarHBondContact O-OH 2.97Å; A235-Y243 VanDerWaalsContact O-OH 3.11Å; G238-Y243 WeakPolarHBondContact CA-OH 3.44Å; S239-Y243 PolarHBondContact O-N 3.46Å; V240-Y243 WeakPolarHBondContact O-CB 3.32Å; V240-Y243 PolarHBondContact O-N 3.3Å; V240-Y243 VanDerWaalsContact O-N 3.08Å; Y243-I246 PolarHBondContact O-N 3.34Å; Y243-G247 PolarHBondContact O-N 2.87Å; Y243-W266 AromaticContact CD1-CE3 3.78Å; Y243-W266 HydrophobicContact CD1-CE3 3.78Å; Y243-W266 AromaticContact CD1-CZ3 3.5Å; Y243-W266 HydrophobicContact CD1-CZ3 3.5Å; Y243-W266 AromaticContact CE1-CZ3 3.88Å; Y243-W266 HydrophobicContact CE1-CZ3 3.88Å; Y243-W266 HydrophobicContact CG-CE3 4.36Å; Y243-W266 HydrophobicContact CG-CZ3 4.48Å; Y243-K269 HydrophobicContact CD2-CB 4.13Å; Y243-K269 HydrophobicContact CE2-CB 4.48Å; Y243-K269 HydrophobicContact CG-CB 4.37Å
244	V	98.6	Very high	98.4	Very high	11 Å²	11	32.7 Å²	32.7	7%	0.067	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-48.6	178.1	177.4	0	0	0	0	111.1	V240 A242 I246 G247 Y248 F267 A270 D275 T277 A278	V240-V244 PolarHBondContact O-N 3.47Å; A242-V244 VanDerWaalsContact C-N 3.32Å; A242-V244 PolarHBondContact O-N 3.38Å; V244-I246 PolarHBondContact O-N 2.81Å; V244-G247 PolarHBondContact O-N 3.34Å; V244-Y248 HydrophobicContact CG1-CD2 3.87Å; V244-Y248 HydrophobicContact CG1-CE2 3.71Å; V244-Y248 WeakPolarHBondContact O-CD2 3.09Å; V244-Y248 PolarHBondContact O-N 3.41Å; V244-F267 HydrophobicContact CG1-CE1 4.31Å; V244-F267 WeakPolarHBondContact O-CE1 3.27Å; V244-A270 HydrophobicContact CG2-CB 3.6Å; V244-D275 WeakPolarHBondContact CG2-OD2 3.4Å; V244-T277 HydrophobicContact CG1-CG2 3.84Å; V244-A278 HydrophobicContact CG2-CB 4.33Å
245	N	98.7	Very high	98.1	Very high	23 Å²	23	34 Å²	34	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-37.5	-178.4	-77.1	-69.1	0	0	0	112.7	Y231 G241 A242 G247 Y248 M249	Y231-N245 HydrophobicContact CD1-CB 4.18Å; Y231-N245 HydrophobicContact CD2-CB 4.05Å; Y231-N245 HydrophobicContact CE1-CB 3.8Å; Y231-N245 HydrophobicContact CE2-CB 3.64Å; Y231-N245 HydrophobicContact CG-CB 4.32Å; G241-N245 PolarHBondContact O-N 3.04Å; G241-N245 PolarHBondContact O-ND2 3.37Å; A242-N245 PolarHBondContact O-N 3.47Å; N245-G247 VanDerWaalsContact C-N 3.33Å; N245-G247 PolarHBondContact O-N 2.9Å; N245-Y248 PolarHBondContact O-N 3.28Å; N245-M249 VanDerWaalsContact O-CG 3.26Å; N245-M249 WeakPolarHBondContact O-CG 3.23Å; N245-M249 PolarHBondContact O-N 3.4Å
246	I	98.8	Very high	98.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-43.2	173.3	-65.5	161.5	0	0	0	110.4	M228 Y231 L232 A235 A242 Y243 V244 Y248 M249 Y250 W266	M228-I246 HydrophobicContact CE-CG2 4.09Å; M228-I246 HydrophobicContact SD-CG1 4.11Å; M228-I246 HydrophobicContact SD-CG2 3.98Å; Y231-I246 HydrophobicContact CG-CG1 4.43Å; L232-I246 HydrophobicContact CD2-CD1 4.04Å; L232-I246 HydrophobicContact CG-CD1 4.38Å; A235-I246 HydrophobicContact CB-CD1 3.66Å; A242-I246 WeakPolarHBondContact O-CB 3.09Å; A242-I246 WeakPolarHBondContact O-CD1 3.46Å; A242-I246 WeakPolarHBondContact O-CG1 3.45Å; A242-I246 PolarHBondContact O-N 3.23Å; Y243-I246 PolarHBondContact O-N 3.34Å; V244-I246 PolarHBondContact O-N 2.81Å; I246-Y248 VanDerWaalsContact C-N 3.33Å; I246-Y248 PolarHBondContact O-N 3.02Å; I246-M249 PolarHBondContact O-N 2.81Å; I246-M249 VanDerWaalsContact O-N 3.17Å; I246-Y250 HydrophobicContact CG2-CD2 3.66Å; I246-Y250 HydrophobicContact CG2-CE2 3.57Å; I246-Y250 WeakPolarHBondContact O-CD2 3.45Å; I246-Y250 PolarHBondContact O-N 3.42Å; I246-W266 HydrophobicContact CB-CD2 4.1Å; I246-W266 HydrophobicContact CB-CE3 4.42Å; I246-W266 HydrophobicContact CB-CG 4.21Å; I246-W266 HydrophobicContact CD1-CD2 4.41Å; I246-W266 HydrophobicContact CD1-CE3 4.12Å; I246-W266 HydrophobicContact CD1-CH2 3.95Å; I246-W266 HydrophobicContact CD1-CZ2 4.25Å; I246-W266 HydrophobicContact CD1-CZ3 3.91Å; I246-W266 HydrophobicContact CG2-CB 4.43Å; I246-W266 HydrophobicContact CG2-CD2 3.58Å; I246-W266 VanDerWaalsContact CG2-CE2 3.49Å; I246-W266 HydrophobicContact CG2-CE3 4.33Å; I246-W266 HydrophobicContact CG2-CG 3.61Å; I246-W266 HydrophobicContact CG2-CZ2 4.12Å
247	G	98.6	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.8	-46.5	174.6	0	0	0	0	0	112.3	Y243 V244 N245 M249 Y250 K251 A263	Y243-G247 PolarHBondContact O-N 2.87Å; V244-G247 PolarHBondContact O-N 3.34Å; N245-G247 VanDerWaalsContact C-N 3.33Å; N245-G247 PolarHBondContact O-N 2.9Å; G247-M249 PolarHBondContact O-N 2.87Å; G247-Y250 PolarHBondContact O-N 3.1Å; G247-K251 WeakPolarHBondContact O-CB 3.49Å; G247-K251 PolarHBondContact O-N 3.35Å; G247-A263 VanDerWaalsContact O-CB 3.29Å; G247-A263 WeakPolarHBondContact O-CB 3.42Å
248	Y	98.3	Very high	98.1	Very high	63 Å²	63	40.5 Å²	40.5	25%	0.247	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-43.7	174.5	-86.1	-68.6	0	0	0	112.9	V244 N245 I246 Y250 K251 H252 F267 T277 N281	V244-Y248 HydrophobicContact CG1-CD2 3.87Å; V244-Y248 HydrophobicContact CG1-CE2 3.71Å; V244-Y248 WeakPolarHBondContact O-CD2 3.09Å; V244-Y248 PolarHBondContact O-N 3.41Å; N245-Y248 PolarHBondContact O-N 3.28Å; I246-Y248 VanDerWaalsContact C-N 3.33Å; I246-Y248 PolarHBondContact O-N 3.02Å; Y248-Y250 PolarHBondContact O-N 3.36Å; Y248-K251 WeakPolarHBondContact O-CB 3.36Å; Y248-K251 PolarHBondContact O-N 3.4Å; Y248-H252 AromaticContact CD1-NE2 3.95Å; Y248-H252 PolarHBondContact O-N 2.75Å; Y248-F267 HydrophobicContact CD1-CZ 4.35Å; Y248-F267 HydrophobicContact CD2-CE1 4.04Å; Y248-F267 HydrophobicContact CD2-CZ 4.2Å; Y248-F267 HydrophobicContact CE2-CE1 4.24Å; Y248-F267 HydrophobicContact CG-CE1 4.41Å; Y248-F267 HydrophobicContact CG-CZ 4.12Å; Y248-T277 HydrophobicContact CE2-CG2 4.21Å; Y248-N281 WeakPolarHBondContact CE1-OD1 3.48Å; Y248-N281 WeakPolarHBondContact CE2-ND2 3.38Å; Y248-N281 VanDerWaalsContact CZ-OD1 3.28Å; Y248-N281 PolarHBondContact OH-ND2 3.25Å; Y248-N281 PolarHBondContact OH-OD1 3.32Å; Y248-N281 VanDerWaalsContact OH-OD1 3.05Å
249	M	98.7	Very high	98.1	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-41	-179.1	-70.9	178.5	79.5	0	0	112.1	Y224 A227 M228 Y231 N245 I246 G247 G253 Q254	Y224-M249 HydrophobicContact CD1-CE 4.47Å; Y224-M249 WeakPolarHBondContact O-CE 3.29Å; A227-M249 HydrophobicContact CB-CE 3.99Å; A227-M249 HydrophobicContact CB-SD 4.42Å; M228-M249 HydrophobicContact CB-CE 3.71Å; M228-M249 HydrophobicContact CB-SD 4.39Å; M228-M249 HydrophobicContact CE-CB 3.49Å; M228-M249 VanDerWaalsContact CE-CB 3.49Å; M228-M249 HydrophobicContact CE-CE 4.12Å; M228-M249 HydrophobicContact CE-CG 4.33Å; M228-M249 HydrophobicContact CE-SD 3.97Å; Y231-M249 HydrophobicContact CD2-SD 3.64Å; Y231-M249 HydrophobicContact CE2-SD 3.86Å; N245-M249 VanDerWaalsContact O-CG 3.26Å; N245-M249 WeakPolarHBondContact O-CG 3.23Å; N245-M249 PolarHBondContact O-N 3.4Å; I246-M249 PolarHBondContact O-N 2.81Å; I246-M249 VanDerWaalsContact O-N 3.17Å; G247-M249 PolarHBondContact O-N 2.87Å; M249-G253 CarbonylContact O-C 3.03Å; M249-G253 WeakPolarHBondContact O-CA 3.46Å; M249-G253 PolarHBondContact O-N 2.86Å; M249-Q254 HydrophobicContact CB-CB 4.36Å; M249-Q254 HydrophobicContact CE-CB 4.5Å; M249-Q254 WeakPolarHBondContact CE-O 3.35Å; M249-Q254 HydrophobicContact CG-CB 4.24Å; M249-Q254 PolarHBondContact O-N 3.12Å
250	Y	98.7	Very high	98.1	Very high	52 Å²	52	45.2 Å²	45.2	20%	0.204	23%	0.232	C	C	.	.	H	α-helix	trans	-67.1	-41	171.8	-82.5	-66.5	0	0	0	112.6	M228 I246 G247 Y248 H252 G253 V256 K258 D259 A262 W266	M228-Y250 HydrophobicContact CE-CD2 4.33Å; M228-Y250 HydrophobicContact CE-CE2 4.15Å; I246-Y250 HydrophobicContact CG2-CD2 3.66Å; I246-Y250 HydrophobicContact CG2-CE2 3.57Å; I246-Y250 WeakPolarHBondContact O-CD2 3.45Å; I246-Y250 PolarHBondContact O-N 3.42Å; G247-Y250 PolarHBondContact O-N 3.1Å; Y248-Y250 PolarHBondContact O-N 3.36Å; Y250-H252 PolarHBondContact O-N 2.63Å; Y250-G253 PolarHBondContact O-N 2.92Å; Y250-V256 HydrophobicContact CD1-CB 4.31Å; Y250-V256 HydrophobicContact CD1-CG2 3.63Å; Y250-V256 HydrophobicContact CE1-CB 4.08Å; Y250-V256 HydrophobicContact CE1-CG1 4.45Å; Y250-V256 HydrophobicContact CE1-CG2 3.85Å; Y250-V256 HydrophobicContact CG-CG2 4.11Å; Y250-K258 CarbonylContact O-C 3.59Å; Y250-K258 VanDerWaalsContact O-CA 3.29Å; Y250-K258 WeakPolarHBondContact O-CA 3.22Å; Y250-D259 HydrophobicContact CD1-CB 3.98Å; Y250-D259 PolarHBondContact O-N 2.89Å; Y250-A262 HydrophobicContact CD1-CB 3.79Å; Y250-A262 HydrophobicContact CD2-CB 4.06Å; Y250-A262 HydrophobicContact CE1-CB 4Å; Y250-A262 HydrophobicContact CE2-CB 4.27Å; Y250-A262 HydrophobicContact CG-CB 3.81Å; Y250-W266 AromaticContact CD2-CD1 3.69Å; Y250-W266 AromaticContact CD2-NE1 3.97Å; Y250-W266 AromaticContact CE2-CD1 3.72Å; Y250-W266 AromaticContact CE2-NE1 3.48Å
251	K	98	Very high	98.1	Very high	15 Å²	15	46 Å²	46	7%	0.065	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-36	178.2	-172.7	179.9	178.9	163.5	0	112	G247 Y248 K258 Y260 A263 F267 E290	G247-K251 WeakPolarHBondContact O-CB 3.49Å; G247-K251 PolarHBondContact O-N 3.35Å; Y248-K251 WeakPolarHBondContact O-CB 3.36Å; Y248-K251 PolarHBondContact O-N 3.4Å; K251-K258 WeakPolarHBondContact O-CE 3.37Å; K251-K258 WeakPolarHBondContact O-CG 3.2Å; K251-Y260 HydrophobicContact CG-CD1 4.05Å; K251-Y260 HydrophobicContact CG-CE1 3.81Å; K251-Y260 WeakPolarHBondContact O-CE1 3.48Å; K251-A263 HydrophobicContact CB-CB 4.01Å; K251-F267 HydrophobicContact CD-CE2 4.48Å; K251-E290 WeakPolarHBondContact CE-OE2 3.23Å; K251-E290 IonicContact NZ-OE2 3.16Å; K251-E290 PolarHBondContact NZ-OE2 2.97Å
252	H	97.6	Very high	98.1	Very high	99 Å²	99	45.3 Å²	45.3	46%	0.458	23%	0.225	S	C	.	.	H	α-helix	trans	-104.3	-7.7	-175.2	-63.4	-31.4	0	0	0	114.4	Y248 Y250 Q254	Y248-H252 AromaticContact CD1-NE2 3.95Å; Y248-H252 PolarHBondContact O-N 2.75Å; Y250-H252 PolarHBondContact O-N 2.63Å; H252-Q254 HydrophobicContact CB-CG 4.18Å
253	G	97.7	Very high	98.1	Very high	29 Å²	29	45.3 Å²	45.3	30%	0.299	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	34.8	-176.7	0	0	0	0	0	112.9	M249 Y250 V256	M249-G253 CarbonylContact O-C 3.03Å; M249-G253 WeakPolarHBondContact O-CA 3.46Å; M249-G253 PolarHBondContact O-N 2.86Å; Y250-G253 PolarHBondContact O-N 2.92Å; G253-V256 CarbonylContact C-O 3.53Å; G253-V256 WeakPolarHBondContact CA-O 3.41Å; G253-V256 VanDerWaalsContact O-O 3.12Å
254	Q	97.6	Very high	98.1	Very high	50 Å²	50	44.1 Å²	44.1	23%	0.234	22%	0.221	C	C	.	.	S	Bend	trans	-87.8	109.2	179	-72.8	174.8	-46.9	0	0	109.6	Y224 M249 H252 V256	Y224-Q254 HydrophobicContact CD1-CB 3.76Å; Y224-Q254 HydrophobicContact CD1-CG 4.24Å; Y224-Q254 HydrophobicContact CD2-CB 4.38Å; Y224-Q254 HydrophobicContact CE1-CB 4.07Å; Y224-Q254 HydrophobicContact CE1-CG 4.02Å; Y224-Q254 HydrophobicContact CE2-CG 4.47Å; Y224-Q254 HydrophobicContact CG-CB 3.92Å; Y224-Q254 PolarHBondContact OH-NE2 2.82Å; M249-Q254 HydrophobicContact CB-CB 4.36Å; M249-Q254 HydrophobicContact CE-CB 4.5Å; M249-Q254 WeakPolarHBondContact CE-O 3.35Å; M249-Q254 HydrophobicContact CG-CB 4.24Å; M249-Q254 PolarHBondContact O-N 3.12Å; H252-Q254 HydrophobicContact CB-CG 4.18Å; Q254-V256 PolarHBondContact O-N 3.16Å; Q254-V256 VanDerWaalsContact O-N 3.08Å
255	G	94.4	Very high	98.1	Very high	29 Å²	29	48.2 Å²	48.2	30%	0.299	24%	0.239	S	C	.	.	S	Bend	trans	75.4	-10.7	179.6	0	0	0	0	0	114.8	Y224	Y224-G255 VanDerWaalsContact CB-CA 3.43Å; Y224-G255 VanDerWaalsContact CB-N 3.32Å
256	V	97.7	Very high	98.1	Very high	37 Å²	37	48.9 Å²	48.9	22%	0.224	24%	0.24	C	C	.	.	S	Bend	trans	-136.6	163.5	175.6	-67.6	0	0	0	0	109.8	M228 Y250 G253 Q254	M228-V256 HydrophobicContact CE-CB 4.38Å; M228-V256 HydrophobicContact CE-CG1 3.7Å; M228-V256 HydrophobicContact CE-CG2 3.73Å; M228-V256 HydrophobicContact CG-CG1 3.83Å; M228-V256 HydrophobicContact SD-CG1 4.43Å; Y250-V256 HydrophobicContact CD1-CB 4.31Å; Y250-V256 HydrophobicContact CD1-CG2 3.63Å; Y250-V256 HydrophobicContact CE1-CB 4.08Å; Y250-V256 HydrophobicContact CE1-CG1 4.45Å; Y250-V256 HydrophobicContact CE1-CG2 3.85Å; Y250-V256 HydrophobicContact CG-CG2 4.11Å; G253-V256 CarbonylContact C-O 3.53Å; G253-V256 WeakPolarHBondContact CA-O 3.41Å; G253-V256 VanDerWaalsContact O-O 3.12Å; Q254-V256 PolarHBondContact O-N 3.16Å; Q254-V256 VanDerWaalsContact O-N 3.08Å
257	E	98	Very high	98.1	Very high	174 Å²	174	48.9 Å²	48.9	81%	0.813	24%	0.24	S	C	*	.			trans	-61.8	143.3	169.1	-173.5	171.8	-176.9	0	0	110	D259	E257-D259 PolarHBondContact O-N 3.3Å
258	K	98.3	Very high	98.1	Very high	111 Å²	111	50.7 Å²	50.7	48%	0.483	25%	0.251	S	S	.	.			trans	-65.3	122.9	176.9	-177.9	179.7	-65.3	-176.3	0	109.5	Y250 K251 Y260	Y250-K258 CarbonylContact O-C 3.59Å; Y250-K258 VanDerWaalsContact O-CA 3.29Å; Y250-K258 WeakPolarHBondContact O-CA 3.22Å; K251-K258 WeakPolarHBondContact O-CE 3.37Å; K251-K258 WeakPolarHBondContact O-CG 3.2Å; K258-Y260 HydrophobicContact CD-CE1 4.28Å; K258-Y260 HydrophobicContact CD-CE2 4.48Å; K258-Y260 HydrophobicContact CG-CE1 4.48Å
259	D	98.5	Very high	98.1	Very high	69 Å²	69	52 Å²	52	37%	0.369	26%	0.258	S	S	.	.			trans	-144.3	103.1	-179	-175.1	-18	0	0	0	109.7	Y250 E257 Q261 A262 A263	Y250-D259 HydrophobicContact CD1-CB 3.98Å; Y250-D259 PolarHBondContact O-N 2.89Å; E257-D259 PolarHBondContact O-N 3.3Å; D259-Q261 VanDerWaalsContact C-N 3.31Å; D259-Q261 PolarHBondContact O-N 2.84Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.42Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.44Å; D259-Q261 PolarHBondContact OD1-N 3.25Å; D259-A262 HydrophobicContact CB-CB 3.9Å; D259-A262 PolarHBondContact OD1-N 3.13Å; D259-A263 WeakPolarHBondContact O-CB 3.1Å; D259-A263 PolarHBondContact O-N 3.26Å
260	Y	98.5	Very high	98.1	Very high	77 Å²	77	52 Å²	52	30%	0.302	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-27.8	178.9	-64.9	-51.1	0	0	0	112.9	K251 K258 F264 M285 E290 G291	K251-Y260 HydrophobicContact CG-CD1 4.05Å; K251-Y260 HydrophobicContact CG-CE1 3.81Å; K251-Y260 WeakPolarHBondContact O-CE1 3.48Å; K258-Y260 HydrophobicContact CD-CE1 4.28Å; K258-Y260 HydrophobicContact CD-CE2 4.48Å; K258-Y260 HydrophobicContact CG-CE1 4.48Å; Y260-F264 VanDerWaalsContact O-CB 3.31Å; Y260-F264 WeakPolarHBondContact O-CB 3.4Å; Y260-F264 PolarHBondContact O-N 2.97Å; Y260-M285 WeakPolarHBondContact O-CE 3.28Å; Y260-E290 HydrophobicContact CD1-CB 3.96Å; Y260-E290 HydrophobicContact CD1-CG 4.48Å; Y260-E290 HydrophobicContact CD2-CB 4.24Å; Y260-E290 HydrophobicContact CE1-CB 4.3Å; Y260-E290 HydrophobicContact CE1-CG 4.31Å; Y260-E290 HydrophobicContact CE2-CG 4.43Å; Y260-E290 HydrophobicContact CG-CB 3.95Å; Y260-G291 VanDerWaalsContact CB-N 3.32Å
261	Q	98.2	Very high	98.1	Very high	61 Å²	61	50.1 Å²	50.1	29%	0.285	25%	0.253	S	S	.	.	H	α-helix	trans	-69.5	-45.3	177.2	177.2	59.4	39.8	0	0	109.9	D259 F264 E265 G291	D259-Q261 VanDerWaalsContact C-N 3.31Å; D259-Q261 PolarHBondContact O-N 2.84Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.42Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.44Å; D259-Q261 PolarHBondContact OD1-N 3.25Å; Q261-F264 WeakPolarHBondContact O-CB 3.48Å; Q261-F264 PolarHBondContact O-N 3.06Å; Q261-E265 PolarHBondContact NE2-OE1 2.82Å; Q261-E265 WeakPolarHBondContact O-CG 3.26Å; Q261-E265 PolarHBondContact O-N 3.48Å; Q261-E265 VanDerWaalsContact O-N 3.11Å; Q261-G291 PolarHBondContact OE1-O 3.25Å; Q261-G291 VanDerWaalsContact OE1-O 3.05Å
262	A	98.3	Very high	98.1	Very high	12 Å²	12	56.4 Å²	56.4	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-44	173.8	0	0	0	0	0	111.8	Y250 D259 F264 E265 W266	Y250-A262 HydrophobicContact CD1-CB 3.79Å; Y250-A262 HydrophobicContact CD2-CB 4.06Å; Y250-A262 HydrophobicContact CE1-CB 4Å; Y250-A262 HydrophobicContact CE2-CB 4.27Å; Y250-A262 HydrophobicContact CG-CB 3.81Å; D259-A262 HydrophobicContact CB-CB 3.9Å; D259-A262 PolarHBondContact OD1-N 3.13Å; A262-F264 VanDerWaalsContact C-N 3.3Å; A262-F264 PolarHBondContact O-N 3.06Å; A262-E265 PolarHBondContact O-N 2.98Å; A262-W266 PolarHBondContact O-N 3.21Å
263	A	98.7	Very high	98.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.7	-45.1	175.7	0	0	0	0	0	111.8	G247 K251 D259 E265 W266 F267 M285	G247-A263 VanDerWaalsContact O-CB 3.29Å; G247-A263 WeakPolarHBondContact O-CB 3.42Å; K251-A263 HydrophobicContact CB-CB 4.01Å; D259-A263 WeakPolarHBondContact O-CB 3.1Å; D259-A263 PolarHBondContact O-N 3.26Å; A263-E265 VanDerWaalsContact C-N 3.34Å; A263-E265 PolarHBondContact O-N 3.25Å; A263-W266 PolarHBondContact O-N 2.91Å; A263-F267 HydrophobicContact CB-CD2 4.43Å; A263-F267 HydrophobicContact CB-CE2 4.18Å; A263-F267 WeakPolarHBondContact O-CD2 3.16Å; A263-F267 WeakPolarHBondContact O-CG 3.46Å; A263-F267 PolarHBondContact O-N 3Å; A263-M285 HydrophobicContact CB-CE 4.09Å
264	F	98.6	Very high	98.1	Very high	13 Å²	13	59.1 Å²	59.1	6%	0.057	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-44.7	178.2	-173.2	-84.4	0	0	0	111.6	Y260 Q261 A262 F267 T268 L282 M285 Y286 R292	Y260-F264 VanDerWaalsContact O-CB 3.31Å; Y260-F264 WeakPolarHBondContact O-CB 3.4Å; Y260-F264 PolarHBondContact O-N 2.97Å; Q261-F264 WeakPolarHBondContact O-CB 3.48Å; Q261-F264 PolarHBondContact O-N 3.06Å; A262-F264 VanDerWaalsContact C-N 3.3Å; A262-F264 PolarHBondContact O-N 3.06Å; F264-F267 PolarHBondContact O-N 2.82Å; F264-T268 WeakPolarHBondContact CE1-OG1 3.26Å; F264-T268 WeakPolarHBondContact O-CB 3.06Å; F264-T268 PolarHBondContact O-N 3.4Å; F264-T268 PolarHBondContact O-OG1 3.26Å; F264-L282 HydrophobicContact CD2-CD2 3.69Å; F264-L282 HydrophobicContact CE1-CD2 4.45Å; F264-L282 HydrophobicContact CE2-CD2 3.64Å; F264-L282 HydrophobicContact CG-CD2 4.12Å; F264-L282 HydrophobicContact CZ-CD2 4.02Å; F264-M285 HydrophobicContact CB-CE 3.67Å; F264-M285 HydrophobicContact CD2-CB 4.48Å; F264-M285 HydrophobicContact CD2-CE 4.18Å; F264-M285 HydrophobicContact CG-CE 4.45Å; F264-Y286 HydrophobicContact CE2-CD2 4.27Å; F264-Y286 HydrophobicContact CE2-CE1 4.22Å; F264-Y286 AromaticContact CE2-CE2 3.72Å; F264-Y286 HydrophobicContact CE2-CE2 3.72Å; F264-Y286 AromaticContact CE2-CZ 3.72Å; F264-Y286 HydrophobicContact CZ-CE1 4.37Å; F264-Y286 AromaticContact CZ-CE2 3.85Å; F264-Y286 HydrophobicContact CZ-CE2 3.85Å; F264-Y286 AromaticContact CZ-CZ 3.61Å; F264-Y286 WeakPolarHBondContact CZ-OH 3.13Å; F264-R292 HydrophobicContact CD1-CG 4.38Å; F264-R292 HydrophobicContact CD2-CG 3.79Å; F264-R292 HydrophobicContact CE1-CG 4.24Å; F264-R292 HydrophobicContact CE2-CB 4.46Å; F264-R292 HydrophobicContact CE2-CG 3.61Å; F264-R292 HydrophobicContact CG-CG 4.19Å; F264-R292 HydrophobicContact CZ-CG 3.87Å
265	E	98.5	Very high	98.1	Very high	97 Å²	97	58.7 Å²	58.7	45%	0.453	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-42	178.5	-70.8	171.5	-164.6	0	0	112.4	Q261 A262 A263 T268 K269	Q261-E265 PolarHBondContact NE2-OE1 2.82Å; Q261-E265 WeakPolarHBondContact O-CG 3.26Å; Q261-E265 PolarHBondContact O-N 3.48Å; Q261-E265 VanDerWaalsContact O-N 3.11Å; A262-E265 PolarHBondContact O-N 2.98Å; A263-E265 VanDerWaalsContact C-N 3.34Å; A263-E265 PolarHBondContact O-N 3.25Å; E265-T268 WeakPolarHBondContact O-CB 3.02Å; E265-T268 PolarHBondContact O-N 3.05Å; E265-K269 PolarHBondContact O-N 2.93Å; E265-K269 VanDerWaalsContact O-N 3.09Å
266	W	98.7	Very high	98.2	Very high	37 Å²	37	57.8 Å²	57.8	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-41.6	177.5	-78.2	107.9	0	0	0	112.9	L232 A235 Y243 I246 Y250 A262 A263 T268 K269 A270	L232-W266 HydrophobicContact CD2-CH2 4Å; L232-W266 HydrophobicContact CD2-CZ2 3.69Å; A235-W266 HydrophobicContact CB-CH2 4.13Å; A235-W266 HydrophobicContact CB-CZ3 3.91Å; Y243-W266 AromaticContact CD1-CE3 3.78Å; Y243-W266 HydrophobicContact CD1-CE3 3.78Å; Y243-W266 AromaticContact CD1-CZ3 3.5Å; Y243-W266 HydrophobicContact CD1-CZ3 3.5Å; Y243-W266 AromaticContact CE1-CZ3 3.88Å; Y243-W266 HydrophobicContact CE1-CZ3 3.88Å; Y243-W266 HydrophobicContact CG-CE3 4.36Å; Y243-W266 HydrophobicContact CG-CZ3 4.48Å; I246-W266 HydrophobicContact CB-CD2 4.1Å; I246-W266 HydrophobicContact CB-CE3 4.42Å; I246-W266 HydrophobicContact CB-CG 4.21Å; I246-W266 HydrophobicContact CD1-CD2 4.41Å; I246-W266 HydrophobicContact CD1-CE3 4.12Å; I246-W266 HydrophobicContact CD1-CH2 3.95Å; I246-W266 HydrophobicContact CD1-CZ2 4.25Å; I246-W266 HydrophobicContact CD1-CZ3 3.91Å; I246-W266 HydrophobicContact CG2-CB 4.43Å; I246-W266 HydrophobicContact CG2-CD2 3.58Å; I246-W266 VanDerWaalsContact CG2-CE2 3.49Å; I246-W266 HydrophobicContact CG2-CE3 4.33Å; I246-W266 HydrophobicContact CG2-CG 3.61Å; I246-W266 HydrophobicContact CG2-CZ2 4.12Å; Y250-W266 AromaticContact CD2-CD1 3.69Å; Y250-W266 AromaticContact CD2-NE1 3.97Å; Y250-W266 AromaticContact CE2-CD1 3.72Å; Y250-W266 AromaticContact CE2-NE1 3.48Å; A262-W266 PolarHBondContact O-N 3.21Å; A263-W266 PolarHBondContact O-N 2.91Å; W266-T268 VanDerWaalsContact C-N 3.29Å; W266-T268 PolarHBondContact O-N 3.13Å; W266-K269 HydrophobicContact CE3-CD 3.97Å; W266-K269 HydrophobicContact CZ3-CD 4.13Å; W266-K269 PolarHBondContact O-N 3.17Å; W266-A270 PolarHBondContact O-N 3.25Å
267	F	98.7	Very high	98.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-34.7	172.3	-66.6	-52.2	0	0	0	111.9	V244 Y248 K251 A263 F264 K269 A270 A271 A278 N281 L282 M285	V244-F267 HydrophobicContact CG1-CE1 4.31Å; V244-F267 WeakPolarHBondContact O-CE1 3.27Å; Y248-F267 HydrophobicContact CD1-CZ 4.35Å; Y248-F267 HydrophobicContact CD2-CE1 4.04Å; Y248-F267 HydrophobicContact CD2-CZ 4.2Å; Y248-F267 HydrophobicContact CE2-CE1 4.24Å; Y248-F267 HydrophobicContact CG-CE1 4.41Å; Y248-F267 HydrophobicContact CG-CZ 4.12Å; K251-F267 HydrophobicContact CD-CE2 4.48Å; A263-F267 HydrophobicContact CB-CD2 4.43Å; A263-F267 HydrophobicContact CB-CE2 4.18Å; A263-F267 WeakPolarHBondContact O-CD2 3.16Å; A263-F267 WeakPolarHBondContact O-CG 3.46Å; A263-F267 PolarHBondContact O-N 3Å; F264-F267 PolarHBondContact O-N 2.82Å; F267-K269 PolarHBondContact O-N 2.9Å; F267-A270 PolarHBondContact O-N 3.11Å; F267-A271 VanDerWaalsContact O-CB 3.3Å; F267-A271 WeakPolarHBondContact O-CB 3.38Å; F267-A271 PolarHBondContact O-N 3.45Å; F267-A278 WeakPolarHBondContact O-CB 3.37Å; F267-N281 HydrophobicContact CD1-CB 3.87Å; F267-N281 HydrophobicContact CD2-CB 3.89Å; F267-N281 HydrophobicContact CE1-CB 3.76Å; F267-N281 HydrophobicContact CE2-CB 3.77Å; F267-N281 HydrophobicContact CG-CB 3.94Å; F267-N281 HydrophobicContact CZ-CB 3.7Å; F267-L282 HydrophobicContact CB-CD1 4.41Å; F267-L282 HydrophobicContact CB-CD2 3.73Å; F267-L282 HydrophobicContact CB-CG 3.77Å; F267-M285 HydrophobicContact CD2-SD 3.57Å; F267-M285 VanDerWaalsContact CD2-SD 3.57Å; F267-M285 HydrophobicContact CE2-SD 3.83Å
268	T	98.5	Very high	98.3	Very high	39 Å²	39	50.4 Å²	50.4	24%	0.239	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-46	174.5	-58.8	0	0	0	0	111.3	F264 E265 W266 A270 A271 E272	F264-T268 WeakPolarHBondContact CE1-OG1 3.26Å; F264-T268 WeakPolarHBondContact O-CB 3.06Å; F264-T268 PolarHBondContact O-N 3.4Å; F264-T268 PolarHBondContact O-OG1 3.26Å; E265-T268 WeakPolarHBondContact O-CB 3.02Å; E265-T268 PolarHBondContact O-N 3.05Å; W266-T268 VanDerWaalsContact C-N 3.29Å; W266-T268 PolarHBondContact O-N 3.13Å; T268-A270 VanDerWaalsContact C-N 3.32Å; T268-A270 PolarHBondContact O-N 3.14Å; T268-A271 WeakPolarHBondContact O-CB 3.37Å; T268-A271 PolarHBondContact O-N 3.4Å; T268-A271 VanDerWaalsContact O-N 3.16Å; T268-E272 WeakPolarHBondContact O-CG 3.32Å; T268-E272 PolarHBondContact O-N 3.25Å
269	K	98.4	Very high	98.3	Very high	90 Å²	90	46.6 Å²	46.6	39%	0.391	24%	0.237	S	C	.	.	H	α-helix	trans	-58.2	-41.2	175.1	-70.1	175	-179	174	0	113	Y243 E265 W266 F267 C273	Y243-K269 HydrophobicContact CD2-CB 4.13Å; Y243-K269 HydrophobicContact CE2-CB 4.48Å; Y243-K269 HydrophobicContact CG-CB 4.37Å; E265-K269 PolarHBondContact O-N 2.93Å; E265-K269 VanDerWaalsContact O-N 3.09Å; W266-K269 HydrophobicContact CE3-CD 3.97Å; W266-K269 HydrophobicContact CZ3-CD 4.13Å; W266-K269 PolarHBondContact O-N 3.17Å; F267-K269 PolarHBondContact O-N 2.9Å; K269-C273 PolarHBondContact O-SG 3.1Å
270	A	98.5	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.4	-40.7	176.1	0	0	0	0	0	112.3	V240 V244 W266 F267 T268 E272 C273 D275 A278	V240-A270 HydrophobicContact CG1-CB 4.42Å; V244-A270 HydrophobicContact CG2-CB 3.6Å; W266-A270 PolarHBondContact O-N 3.25Å; F267-A270 PolarHBondContact O-N 3.11Å; T268-A270 VanDerWaalsContact C-N 3.32Å; T268-A270 PolarHBondContact O-N 3.14Å; A270-E272 VanDerWaalsContact C-N 3.32Å; A270-E272 PolarHBondContact O-N 3.42Å; A270-C273 CarbonylContact O-C 3.6Å; A270-C273 WeakPolarHBondContact O-CA 3.48Å; A270-C273 WeakPolarHBondContact O-CB 3.39Å; A270-C273 PolarHBondContact O-N 3.03Å; A270-D275 HydrophobicContact CB-CB 4.24Å; A270-D275 VanDerWaalsContact O-CB 3.31Å; A270-D275 WeakPolarHBondContact O-CB 3.4Å; A270-D275 PolarHBondContact O-N 2.94Å; A270-A278 HydrophobicContact CB-CB 3.44Å; A270-A278 VanDerWaalsContact CB-CB 3.44Å
271	A	98.2	Very high	98.3	Very high	13 Å²	13	41.2 Å²	41.2	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-34.5	177.5	0	0	0	0	0	113	F267 T268 C273 N274 A278 W279 L282	F267-A271 VanDerWaalsContact O-CB 3.3Å; F267-A271 WeakPolarHBondContact O-CB 3.38Å; F267-A271 PolarHBondContact O-N 3.45Å; T268-A271 WeakPolarHBondContact O-CB 3.37Å; T268-A271 PolarHBondContact O-N 3.4Å; T268-A271 VanDerWaalsContact O-N 3.16Å; A271-C273 PolarHBondContact O-N 3.49Å; A271-N274 WeakPolarHBondContact O-CA 3.32Å; A271-N274 PolarHBondContact O-N 3.48Å; A271-A278 HydrophobicContact CB-CB 4.1Å; A271-W279 VanDerWaalsContact CB-CD1 3.42Å; A271-W279 PolarHBondContact O-NE1 3.47Å; A271-L282 HydrophobicContact CB-CD1 3.63Å
272	E	98.1	Very high	98.3	Very high	147 Å²	147	38.7 Å²	38.7	69%	0.687	20%	0.2	S	C	*	.	H	α-helix	trans	-63.9	-24.3	172	-72.8	170.9	174.8	0	0	112.2	T268 A270 N274	T268-E272 WeakPolarHBondContact O-CG 3.32Å; T268-E272 PolarHBondContact O-N 3.25Å; A270-E272 VanDerWaalsContact C-N 3.32Å; A270-E272 PolarHBondContact O-N 3.42Å; E272-N274 VanDerWaalsContact C-N 3.26Å; E272-N274 PolarHBondContact O-N 3.17Å
273	C	97.5	Very high	98.3	Very high	64 Å²	64	38.1 Å²	38.1	43%	0.432	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	13.7	172.1	-61.4	0	0	0	0	113.2	V240 K269 A270 A271 D275	V240-C273 HydrophobicContact CG1-CB 3.97Å; V240-C273 HydrophobicContact CG2-CB 3.68Å; K269-C273 PolarHBondContact O-SG 3.1Å; A270-C273 CarbonylContact O-C 3.6Å; A270-C273 WeakPolarHBondContact O-CA 3.48Å; A270-C273 WeakPolarHBondContact O-CB 3.39Å; A270-C273 PolarHBondContact O-N 3.03Å; A271-C273 PolarHBondContact O-N 3.49Å; C273-D275 VanDerWaalsContact C-N 3.3Å; C273-D275 PolarHBondContact O-N 3.45Å
274	N	97.3	Very high	98.3	Very high	122 Å²	122	39.4 Å²	39.4	65%	0.652	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	30.7	-176.1	-56.5	-61.6	0	0	0	115	A271 E272 A276 W279	A271-N274 WeakPolarHBondContact O-CA 3.32Å; A271-N274 PolarHBondContact O-N 3.48Å; E272-N274 VanDerWaalsContact C-N 3.26Å; E272-N274 PolarHBondContact O-N 3.17Å; N274-A276 PolarHBondContact O-N 3.21Å; N274-W279 HydrophobicContact CB-CH2 4.15Å; N274-W279 HydrophobicContact CB-CZ2 3.96Å
275	D	97.8	Very high	98.2	Very high	41 Å²	41	38.8 Å²	38.8	22%	0.219	20%	0.199	C	C	.	.			trans	-77.2	117.6	174.1	-174.4	83.9	0	0	0	111.5	V240 V244 A270 C273 T277 A278 W279	V240-D275 HydrophobicContact CG1-CB 3.86Å; V244-D275 WeakPolarHBondContact CG2-OD2 3.4Å; A270-D275 HydrophobicContact CB-CB 4.24Å; A270-D275 VanDerWaalsContact O-CB 3.31Å; A270-D275 WeakPolarHBondContact O-CB 3.4Å; A270-D275 PolarHBondContact O-N 2.94Å; C273-D275 VanDerWaalsContact C-N 3.3Å; C273-D275 PolarHBondContact O-N 3.45Å; D275-T277 VanDerWaalsContact C-N 3.33Å; D275-T277 PolarHBondContact O-N 3.43Å; D275-T277 WeakPolarHBondContact OD2-CA 3.23Å; D275-T277 WeakPolarHBondContact OD2-CB 3.19Å; D275-T277 PolarHBondContact OD2-N 3.4Å; D275-A278 HydrophobicContact CB-CB 4.05Å; D275-A278 WeakPolarHBondContact O-CB 3.3Å; D275-A278 PolarHBondContact O-N 3.22Å; D275-A278 PolarHBondContact OD2-N 3.24Å; D275-W279 PolarHBondContact O-N 3.44Å; D275-W279 VanDerWaalsContact O-N 3.17Å
276	A	97.9	Very high	98.2	Very high	10 Å²	10	36.2 Å²	36.2	8%	0.083	19%	0.185	C	C	.	.	H	α-helix	trans	-70.8	-27.5	-178	0	0	0	0	0	113.4	N274 A278 W279 Y280 S309 T311	N274-A276 PolarHBondContact O-N 3.21Å; A276-A278 VanDerWaalsContact C-N 3.29Å; A276-W279 HydrophobicContact CB-CE3 4Å; A276-W279 HydrophobicContact CB-CZ3 4.31Å; A276-W279 PolarHBondContact O-N 3.02Å; A276-Y280 PolarHBondContact O-N 3.04Å; A276-S309 WeakPolarHBondContact CB-OG 3.3Å; A276-T311 HydrophobicContact CB-CG2 4.11Å; A276-T311 WeakPolarHBondContact CB-OG1 3.25Å
277	T	98	Very high	98.2	Very high	56 Å²	56	35.6 Å²	35.6	34%	0.344	18%	0.184	S	C	.	.	H	α-helix	trans	-65.9	-38.3	174.2	-54.3	0	0	0	0	110	V244 Y248 D275 Y280 N281	V244-T277 HydrophobicContact CG1-CG2 3.84Å; Y248-T277 HydrophobicContact CE2-CG2 4.21Å; D275-T277 VanDerWaalsContact C-N 3.33Å; D275-T277 PolarHBondContact O-N 3.43Å; D275-T277 WeakPolarHBondContact OD2-CA 3.23Å; D275-T277 WeakPolarHBondContact OD2-CB 3.19Å; D275-T277 PolarHBondContact OD2-N 3.4Å; T277-Y280 PolarHBondContact O-N 2.84Å; T277-N281 PolarHBondContact O-N 3.26Å; T277-N281 PolarHBondContact O-ND2 3.44Å
278	A	98.4	Very high	98.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-43.7	175.1	0	0	0	0	0	112.6	V244 F267 A270 A271 D275 A276 Y280 N281 L282	V244-A278 HydrophobicContact CG2-CB 4.33Å; F267-A278 WeakPolarHBondContact O-CB 3.37Å; A270-A278 HydrophobicContact CB-CB 3.44Å; A270-A278 VanDerWaalsContact CB-CB 3.44Å; A271-A278 HydrophobicContact CB-CB 4.1Å; D275-A278 HydrophobicContact CB-CB 4.05Å; D275-A278 WeakPolarHBondContact O-CB 3.3Å; D275-A278 PolarHBondContact O-N 3.22Å; D275-A278 PolarHBondContact OD2-N 3.24Å; A276-A278 VanDerWaalsContact C-N 3.29Å; A278-Y280 VanDerWaalsContact C-N 3.29Å; A278-Y280 PolarHBondContact O-N 3.49Å; A278-N281 PolarHBondContact O-N 3.19Å; A278-L282 WeakPolarHBondContact O-CG 3.47Å; A278-L282 PolarHBondContact O-N 3.41Å
279	W	98.6	Very high	98.1	Very high	31 Å²	31	42.4 Å²	42.4	12%	0.117	22%	0.216	C	C	.	.	H	α-helix	trans	-57.2	-44.4	173.2	-63.8	-26.2	0	0	0	111.9	A271 N274 D275 A276 L282 A283 L302 K305 V306	A271-W279 VanDerWaalsContact CB-CD1 3.42Å; A271-W279 PolarHBondContact O-NE1 3.47Å; N274-W279 HydrophobicContact CB-CH2 4.15Å; N274-W279 HydrophobicContact CB-CZ2 3.96Å; D275-W279 PolarHBondContact O-N 3.44Å; D275-W279 VanDerWaalsContact O-N 3.17Å; A276-W279 HydrophobicContact CB-CE3 4Å; A276-W279 HydrophobicContact CB-CZ3 4.31Å; A276-W279 PolarHBondContact O-N 3.02Å; W279-L282 PolarHBondContact O-N 3.43Å; W279-A283 WeakPolarHBondContact O-CB 3.4Å; W279-A283 PolarHBondContact O-N 2.94Å; W279-L302 HydrophobicContact CB-CD2 4.22Å; W279-L302 HydrophobicContact CG-CD2 4.32Å; W279-K305 HydrophobicContact CD2-CB 3.98Å; W279-K305 HydrophobicContact CD2-CD 4.34Å; W279-K305 HydrophobicContact CE3-CB 3.67Å; W279-K305 HydrophobicContact CG-CB 4.49Å; W279-K305 HydrophobicContact CZ3-CB 4.03Å; W279-V306 HydrophobicContact CB-CG2 3.63Å
280	Y	98.4	Very high	98	Very high	30 Å²	30	39.9 Å²	39.9	12%	0.118	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-45.5	176.8	176.7	-99.1	0	0	0	112.1	A276 T277 A278 A283 I284 Y303 R312 V314	A276-Y280 PolarHBondContact O-N 3.04Å; T277-Y280 PolarHBondContact O-N 2.84Å; A278-Y280 VanDerWaalsContact C-N 3.29Å; A278-Y280 PolarHBondContact O-N 3.49Å; Y280-A283 WeakPolarHBondContact O-CB 3.31Å; Y280-A283 PolarHBondContact O-N 3.39Å; Y280-I284 HydrophobicContact CD1-CD1 3.92Å; Y280-I284 HydrophobicContact CE1-CD1 3.28Å; Y280-I284 HydrophobicContact CE1-CG1 4.36Å; Y280-I284 HydrophobicContact CE2-CD1 4.2Å; Y280-I284 VanDerWaalsContact CZ-CD1 3.46Å; Y280-I284 WeakPolarHBondContact O-CG1 3.48Å; Y280-I284 PolarHBondContact O-N 3.33Å; Y280-I284 VanDerWaalsContact O-N 3.07Å; Y280-Y303 HydrophobicContact CD2-CD1 4.4Å; Y280-Y303 HydrophobicContact CD2-CE1 4.07Å; Y280-Y303 HydrophobicContact CE2-CE1 4.2Å; Y280-R312 VanDerWaalsContact CD1-NH1 3.3Å; Y280-R312 VanDerWaalsContact CZ-CZ 3.43Å; Y280-V314 HydrophobicContact CD2-CG1 3.82Å; Y280-V314 HydrophobicContact CE2-CG1 3.98Å
281	N	98.2	Very high	97.7	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-40.9	178.1	-76.1	-65	0	0	0	112.6	Y248 F267 T277 A278 A283 I284 M285	Y248-N281 WeakPolarHBondContact CE1-OD1 3.48Å; Y248-N281 WeakPolarHBondContact CE2-ND2 3.38Å; Y248-N281 VanDerWaalsContact CZ-OD1 3.28Å; Y248-N281 PolarHBondContact OH-ND2 3.25Å; Y248-N281 PolarHBondContact OH-OD1 3.32Å; Y248-N281 VanDerWaalsContact OH-OD1 3.05Å; F267-N281 HydrophobicContact CD1-CB 3.87Å; F267-N281 HydrophobicContact CD2-CB 3.89Å; F267-N281 HydrophobicContact CE1-CB 3.76Å; F267-N281 HydrophobicContact CE2-CB 3.77Å; F267-N281 HydrophobicContact CG-CB 3.94Å; F267-N281 HydrophobicContact CZ-CB 3.7Å; T277-N281 PolarHBondContact O-N 3.26Å; T277-N281 PolarHBondContact O-ND2 3.44Å; A278-N281 PolarHBondContact O-N 3.19Å; N281-A283 VanDerWaalsContact C-N 3.32Å; N281-A283 PolarHBondContact O-N 3.49Å; N281-I284 PolarHBondContact O-N 3.11Å; N281-M285 VanDerWaalsContact O-CG 3.23Å; N281-M285 WeakPolarHBondContact O-CG 3.21Å; N281-M285 PolarHBondContact O-N 3.26Å
282	L	98.5	Very high	97.6	Very high	8 Å²	8	46 Å²	46	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-39.9	174	-71.1	171.1	0	0	0	111.6	F264 F267 A271 A278 W279 I284 M285 Y286 L302	F264-L282 HydrophobicContact CD2-CD2 3.69Å; F264-L282 HydrophobicContact CE1-CD2 4.45Å; F264-L282 HydrophobicContact CE2-CD2 3.64Å; F264-L282 HydrophobicContact CG-CD2 4.12Å; F264-L282 HydrophobicContact CZ-CD2 4.02Å; F267-L282 HydrophobicContact CB-CD1 4.41Å; F267-L282 HydrophobicContact CB-CD2 3.73Å; F267-L282 HydrophobicContact CB-CG 3.77Å; A271-L282 HydrophobicContact CB-CD1 3.63Å; A278-L282 WeakPolarHBondContact O-CG 3.47Å; A278-L282 PolarHBondContact O-N 3.41Å; W279-L282 PolarHBondContact O-N 3.43Å; L282-I284 PolarHBondContact O-N 3.42Å; L282-M285 PolarHBondContact O-N 3.18Å; L282-M285 VanDerWaalsContact O-N 3.17Å; L282-Y286 VanDerWaalsContact O-CD2 3.26Å; L282-Y286 WeakPolarHBondContact O-CD2 3.41Å; L282-Y286 PolarHBondContact O-N 2.78Å; L282-L302 HydrophobicContact CB-CD1 3.65Å
283	A	98.5	Very high	97.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-46	177.4	0	0	0	0	0	111.4	W279 Y280 N281 M285 Y286 H287 A299 L302 Y303	W279-A283 WeakPolarHBondContact O-CB 3.4Å; W279-A283 PolarHBondContact O-N 2.94Å; Y280-A283 WeakPolarHBondContact O-CB 3.31Å; Y280-A283 PolarHBondContact O-N 3.39Å; N281-A283 VanDerWaalsContact C-N 3.32Å; N281-A283 PolarHBondContact O-N 3.49Å; A283-M285 VanDerWaalsContact C-N 3.32Å; A283-M285 PolarHBondContact O-N 3.46Å; A283-Y286 PolarHBondContact O-N 3.08Å; A283-H287 WeakPolarHBondContact O-CB 3.31Å; A283-H287 PolarHBondContact O-N 3Å; A283-A299 WeakPolarHBondContact O-CB 3.48Å; A283-L302 HydrophobicContact CB-CB 3.68Å; A283-L302 HydrophobicContact CB-CD1 4.43Å; A283-Y303 HydrophobicContact CB-CD1 3.55Å; A283-Y303 HydrophobicContact CB-CD2 4.09Å; A283-Y303 HydrophobicContact CB-CE1 3.38Å; A283-Y303 HydrophobicContact CB-CE2 3.96Å; A283-Y303 HydrophobicContact CB-CG 3.89Å
284	I	98	Very high	97.6	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.138	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-45.8	173.4	-70.6	176.3	0	0	0	110.7	Y280 N281 L282 Y286 H287 Y288 Y303	Y280-I284 HydrophobicContact CD1-CD1 3.92Å; Y280-I284 HydrophobicContact CE1-CD1 3.28Å; Y280-I284 HydrophobicContact CE1-CG1 4.36Å; Y280-I284 HydrophobicContact CE2-CD1 4.2Å; Y280-I284 VanDerWaalsContact CZ-CD1 3.46Å; Y280-I284 WeakPolarHBondContact O-CG1 3.48Å; Y280-I284 PolarHBondContact O-N 3.33Å; Y280-I284 VanDerWaalsContact O-N 3.07Å; N281-I284 PolarHBondContact O-N 3.11Å; L282-I284 PolarHBondContact O-N 3.42Å; I284-Y286 VanDerWaalsContact C-N 3.34Å; I284-Y286 PolarHBondContact O-N 3.28Å; I284-H287 PolarHBondContact O-N 3.46Å; I284-H287 VanDerWaalsContact O-N 3.15Å; I284-Y288 HydrophobicContact CG2-CD2 3.75Å; I284-Y288 HydrophobicContact CG2-CE2 4.12Å; I284-Y288 WeakPolarHBondContact O-CD2 3.44Å; I284-Y288 PolarHBondContact O-N 3.47Å; I284-Y303 WeakPolarHBondContact CG1-OH 3.39Å
285	M	98.5	Very high	97.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-39.1	-178	-71	178.2	76	0	0	112.2	Y260 A263 F264 F267 N281 L282 A283 G289 E290	Y260-M285 WeakPolarHBondContact O-CE 3.28Å; A263-M285 HydrophobicContact CB-CE 4.09Å; F264-M285 HydrophobicContact CB-CE 3.67Å; F264-M285 HydrophobicContact CD2-CB 4.48Å; F264-M285 HydrophobicContact CD2-CE 4.18Å; F264-M285 HydrophobicContact CG-CE 4.45Å; F267-M285 HydrophobicContact CD2-SD 3.57Å; F267-M285 VanDerWaalsContact CD2-SD 3.57Å; F267-M285 HydrophobicContact CE2-SD 3.83Å; N281-M285 VanDerWaalsContact O-CG 3.23Å; N281-M285 WeakPolarHBondContact O-CG 3.21Å; N281-M285 PolarHBondContact O-N 3.26Å; L282-M285 PolarHBondContact O-N 3.18Å; L282-M285 VanDerWaalsContact O-N 3.17Å; A283-M285 VanDerWaalsContact C-N 3.32Å; A283-M285 PolarHBondContact O-N 3.46Å; M285-G289 CarbonylContact O-C 3.59Å; M285-G289 WeakPolarHBondContact O-CA 3.44Å; M285-G289 PolarHBondContact O-N 3.4Å; M285-E290 HydrophobicContact CB-CB 4.15Å; M285-E290 HydrophobicContact CE-CB 4.3Å; M285-E290 WeakPolarHBondContact CE-O 3.27Å; M285-E290 HydrophobicContact CG-CB 4Å; M285-E290 PolarHBondContact O-N 2.83Å
286	Y	98.5	Very high	97.7	Very high	43 Å²	43	41.9 Å²	41.9	17%	0.169	22%	0.222	C	C	.	.	H	α-helix	trans	-68.5	-35.7	171.7	-82.1	-62.6	0	0	0	113.2	F264 L282 A283 I284 R292 V294 D295 Q298 L302	F264-Y286 HydrophobicContact CE2-CD2 4.27Å; F264-Y286 HydrophobicContact CE2-CE1 4.22Å; F264-Y286 AromaticContact CE2-CE2 3.72Å; F264-Y286 HydrophobicContact CE2-CE2 3.72Å; F264-Y286 AromaticContact CE2-CZ 3.72Å; F264-Y286 HydrophobicContact CZ-CE1 4.37Å; F264-Y286 AromaticContact CZ-CE2 3.85Å; F264-Y286 HydrophobicContact CZ-CE2 3.85Å; F264-Y286 AromaticContact CZ-CZ 3.61Å; F264-Y286 WeakPolarHBondContact CZ-OH 3.13Å; L282-Y286 VanDerWaalsContact O-CD2 3.26Å; L282-Y286 WeakPolarHBondContact O-CD2 3.41Å; L282-Y286 PolarHBondContact O-N 2.78Å; A283-Y286 PolarHBondContact O-N 3.08Å; I284-Y286 VanDerWaalsContact C-N 3.34Å; I284-Y286 PolarHBondContact O-N 3.28Å; Y286-R292 HydrophobicContact CD1-CB 4.37Å; Y286-R292 HydrophobicContact CE1-CB 4.2Å; Y286-R292 HydrophobicContact CE1-CG 4.36Å; Y286-V294 CarbonylContact O-C 3.09Å; Y286-V294 VanDerWaalsContact O-CA 3.27Å; Y286-V294 WeakPolarHBondContact O-CA 3.2Å; Y286-D295 HydrophobicContact CD1-CB 3.8Å; Y286-D295 HydrophobicContact CE1-CB 4.32Å; Y286-D295 PolarHBondContact O-N 3.32Å; Y286-Q298 HydrophobicContact CD1-CB 4.05Å; Y286-Q298 HydrophobicContact CD2-CB 3.93Å; Y286-Q298 HydrophobicContact CE1-CB 4.14Å; Y286-Q298 HydrophobicContact CE1-CG 4.36Å; Y286-Q298 HydrophobicContact CE2-CB 4.03Å; Y286-Q298 HydrophobicContact CG-CB 3.93Å; Y286-L302 HydrophobicContact CD2-CD1 3.61Å; Y286-L302 HydrophobicContact CE2-CD1 3.85Å
287	H	98.1	Very high	97.7	Very high	24 Å²	24	50.3 Å²	50.3	11%	0.111	25%	0.251	C	S	.	.	H	α-helix	trans	-66.7	-43.2	178.9	-175	103.8	0	0	0	111.6	A283 I284 A299 T321	A283-H287 WeakPolarHBondContact O-CB 3.31Å; A283-H287 PolarHBondContact O-N 3Å; I284-H287 PolarHBondContact O-N 3.46Å; I284-H287 VanDerWaalsContact O-N 3.15Å; H287-A299 HydrophobicContact CB-CB 4.1Å; H287-T321 PolarHBondContact ND1-OG1 2.77Å; H287-T321 VanDerWaalsContact ND1-OG1 3.14Å
288	Y	97.2	Very high	97.7	Very high	151 Å²	151	51.5 Å²	51.5	59%	0.592	25%	0.253	S	S	*	.	H	α-helix	trans	-97.6	-3.4	-176.3	-67.7	-72	0	0	0	114.7	I284	I284-Y288 HydrophobicContact CG2-CD2 3.75Å; I284-Y288 HydrophobicContact CG2-CE2 4.12Å; I284-Y288 WeakPolarHBondContact O-CD2 3.44Å; I284-Y288 PolarHBondContact O-N 3.47Å
289	G	96.9	Very high	97.7	Very high	30 Å²	30	51.5 Å²	51.5	31%	0.309	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	33.9	-178.9	0	0	0	0	0	113.5	M285 G291 R292	M285-G289 CarbonylContact O-C 3.59Å; M285-G289 WeakPolarHBondContact O-CA 3.44Å; M285-G289 PolarHBondContact O-N 3.4Å; G289-G291 PolarHBondContact O-N 3.47Å; G289-R292 CarbonylContact C-O 3.55Å; G289-R292 WeakPolarHBondContact CA-O 3.48Å; G289-R292 VanDerWaalsContact O-O 3.06Å
290	E	96.5	Very high	97.7	Very high	37 Å²	37	50.6 Å²	50.6	17%	0.173	25%	0.25	C	S	.	.	S	Bend	trans	-84.5	105.5	178.3	-62.8	179.6	147.1	0	0	109.3	K251 Y260 M285 R292	K251-E290 WeakPolarHBondContact CE-OE2 3.23Å; K251-E290 IonicContact NZ-OE2 3.16Å; K251-E290 PolarHBondContact NZ-OE2 2.97Å; Y260-E290 HydrophobicContact CD1-CB 3.96Å; Y260-E290 HydrophobicContact CD1-CG 4.48Å; Y260-E290 HydrophobicContact CD2-CB 4.24Å; Y260-E290 HydrophobicContact CE1-CB 4.3Å; Y260-E290 HydrophobicContact CE1-CG 4.31Å; Y260-E290 HydrophobicContact CE2-CG 4.43Å; Y260-E290 HydrophobicContact CG-CB 3.95Å; M285-E290 HydrophobicContact CB-CB 4.15Å; M285-E290 HydrophobicContact CE-CB 4.3Å; M285-E290 WeakPolarHBondContact CE-O 3.27Å; M285-E290 HydrophobicContact CG-CB 4Å; M285-E290 PolarHBondContact O-N 2.83Å; E290-R292 PolarHBondContact O-N 3.04Å
291	G	93.5	Very high	97.7	Very high	28 Å²	28	52.9 Å²	52.9	29%	0.289	27%	0.265	S	S	.	.	S	Bend	trans	81.7	-18.1	178.2	0	0	0	0	0	114.6	Y260 Q261 G289	Y260-G291 VanDerWaalsContact CB-N 3.32Å; Q261-G291 PolarHBondContact OE1-O 3.25Å; Q261-G291 VanDerWaalsContact OE1-O 3.05Å; G289-G291 PolarHBondContact O-N 3.47Å
292	R	95.9	Very high	97.8	Very high	113 Å²	113	53.5 Å²	53.5	43%	0.426	27%	0.268	S	S	.	.	S	Bend	trans	-133	159.4	168.6	-69.3	-63.3	-171.7	-178.2	-2.2	109.6	F264 Y286 G289 E290	F264-R292 HydrophobicContact CD1-CG 4.38Å; F264-R292 HydrophobicContact CD2-CG 3.79Å; F264-R292 HydrophobicContact CE1-CG 4.24Å; F264-R292 HydrophobicContact CE2-CB 4.46Å; F264-R292 HydrophobicContact CE2-CG 3.61Å; F264-R292 HydrophobicContact CG-CG 4.19Å; F264-R292 HydrophobicContact CZ-CG 3.87Å; Y286-R292 HydrophobicContact CD1-CB 4.37Å; Y286-R292 HydrophobicContact CE1-CB 4.2Å; Y286-R292 HydrophobicContact CE1-CG 4.36Å; G289-R292 CarbonylContact C-O 3.55Å; G289-R292 WeakPolarHBondContact CA-O 3.48Å; G289-R292 VanDerWaalsContact O-O 3.06Å; E290-R292 PolarHBondContact O-N 3.04Å
293	P	97.5	Very high	97.8	Very high	109 Å²	109	53.4 Å²	53.4	71%	0.708	27%	0.267	S	S	*	.			trans	-56.1	153.8	166.8	-22.7	34.1	0	0	0	111.3	D295	P293-D295 PolarHBondContact O-N 3.13Å
294	V	98.1	Very high	97.7	Very high	90 Å²	90	59 Å²	59	55%	0.545	29%	0.288	S	S	.	.			trans	-56	127.4	173.7	174.7	0	0	0	0	109.9	Y286 L296	Y286-V294 CarbonylContact O-C 3.09Å; Y286-V294 VanDerWaalsContact O-CA 3.27Å; Y286-V294 WeakPolarHBondContact O-CA 3.2Å; V294-L296 HydrophobicContact CG1-CD2 3.94Å; V294-L296 HydrophobicContact CG1-CG 4.01Å
295	D	98.4	Very high	97.8	Very high	61 Å²	61	62.7 Å²	62.7	33%	0.326	30%	0.303	S	S	.	.			trans	-140.5	89.5	173.6	-170.3	-27.3	0	0	0	109.5	Y286 P293 R297 Q298 A299	Y286-D295 HydrophobicContact CD1-CB 3.8Å; Y286-D295 HydrophobicContact CE1-CB 4.32Å; Y286-D295 PolarHBondContact O-N 3.32Å; P293-D295 PolarHBondContact O-N 3.13Å; D295-R297 PolarHBondContact O-N 3.14Å; D295-R297 PolarHBondContact OD1-N 3.4Å; D295-R297 VanDerWaalsContact OD1-N 3.15Å; D295-Q298 HydrophobicContact CB-CB 4.09Å; D295-Q298 HydrophobicContact CB-CG 4.2Å; D295-Q298 VanDerWaalsContact CG-CG 3.42Å; D295-Q298 PolarHBondContact O-N 3.13Å; D295-Q298 PolarHBondContact OD1-N 3.37Å; D295-Q298 VanDerWaalsContact OD2-CG 3.22Å; D295-Q298 WeakPolarHBondContact OD2-CG 3.44Å; D295-A299 PolarHBondContact O-N 3.12Å
296	L	98.3	Very high	97.8	Very high	29 Å²	29	62.7 Å²	62.7	15%	0.152	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-24.6	-177	-60.5	178.9	0	0	0	112.8	V294 L300 T321 L324 L325	V294-L296 HydrophobicContact CG1-CD2 3.94Å; V294-L296 HydrophobicContact CG1-CG 4.01Å; L296-L300 VanDerWaalsContact O-CB 3.26Å; L296-L300 WeakPolarHBondContact O-CB 3.31Å; L296-L300 PolarHBondContact O-N 3.14Å; L296-T321 HydrophobicContact CB-CG2 4.05Å; L296-T321 HydrophobicContact CD2-CG2 4.27Å; L296-T321 WeakPolarHBondContact O-CG2 3.3Å; L296-L324 HydrophobicContact CD1-CB 3.55Å; L296-L324 WeakPolarHBondContact CD1-O 3.43Å; L296-L325 HydrophobicContact CB-CD1 4.27Å; L296-L325 HydrophobicContact CB-CD2 3.64Å; L296-L325 HydrophobicContact CB-CG 3.76Å; L296-L325 HydrophobicContact CD1-CD2 4.4Å; L296-L325 HydrophobicContact CD1-CG 4.29Å
297	R	98.4	Very high	97.7	Very high	186 Å²	186	64 Å²	64	70%	0.702	31%	0.311	S	S	*	.	H	α-helix	trans	-71.7	-46.6	175.9	-67.5	-176.6	179.5	161.7	0.9	110.6	D295 A299 L300 D301 L325	D295-R297 PolarHBondContact O-N 3.14Å; D295-R297 PolarHBondContact OD1-N 3.4Å; D295-R297 VanDerWaalsContact OD1-N 3.15Å; R297-A299 VanDerWaalsContact C-N 3.34Å; R297-L300 PolarHBondContact O-N 3.36Å; R297-D301 PolarHBondContact O-N 3.07Å; R297-L325 HydrophobicContact CG-CD2 3.82Å
298	Q	98.2	Very high	97.7	Very high	82 Å²	82	67.5 Å²	67.5	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-62.4	-41.7	174.2	-70.5	-64.9	-37	0	0	111.8	Y286 D295 L300 D301 L302	Y286-Q298 HydrophobicContact CD1-CB 4.05Å; Y286-Q298 HydrophobicContact CD2-CB 3.93Å; Y286-Q298 HydrophobicContact CE1-CB 4.14Å; Y286-Q298 HydrophobicContact CE1-CG 4.36Å; Y286-Q298 HydrophobicContact CE2-CB 4.03Å; Y286-Q298 HydrophobicContact CG-CB 3.93Å; D295-Q298 HydrophobicContact CB-CB 4.09Å; D295-Q298 HydrophobicContact CB-CG 4.2Å; D295-Q298 VanDerWaalsContact CG-CG 3.42Å; D295-Q298 PolarHBondContact O-N 3.13Å; D295-Q298 PolarHBondContact OD1-N 3.37Å; D295-Q298 VanDerWaalsContact OD2-CG 3.22Å; D295-Q298 WeakPolarHBondContact OD2-CG 3.44Å; Q298-L300 PolarHBondContact O-N 3.4Å; Q298-D301 PolarHBondContact O-N 2.94Å; Q298-L302 WeakPolarHBondContact O-CG 3.42Å; Q298-L302 PolarHBondContact O-N 3.31Å
299	A	98.5	Very high	97.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-57.5	-48.7	174.7	0	0	0	0	0	111.6	A283 H287 D295 R297 D301 L302 Y303 T321	A283-A299 WeakPolarHBondContact O-CB 3.48Å; H287-A299 HydrophobicContact CB-CB 4.1Å; D295-A299 PolarHBondContact O-N 3.12Å; R297-A299 VanDerWaalsContact C-N 3.34Å; A299-D301 PolarHBondContact O-N 3.48Å; A299-L302 PolarHBondContact O-N 2.92Å; A299-Y303 HydrophobicContact CB-CE2 4.29Å; A299-Y303 WeakPolarHBondContact O-CD2 3.43Å; A299-Y303 PolarHBondContact O-N 3.43Å; A299-T321 HydrophobicContact CB-CG2 4.39Å
300	L	98.5	Very high	97.6	Very high	11 Å²	11	64.3 Å²	64.3	6%	0.058	34%	0.343	C	S	.	.	H	α-helix	trans	-62.7	-42.1	179.5	-175.2	59.3	0	0	0	112.8	L296 R297 Q298 L302 Y303 R304 I318 T321 E322 L325	L296-L300 VanDerWaalsContact O-CB 3.26Å; L296-L300 WeakPolarHBondContact O-CB 3.31Å; L296-L300 PolarHBondContact O-N 3.14Å; R297-L300 PolarHBondContact O-N 3.36Å; Q298-L300 PolarHBondContact O-N 3.4Å; L300-L302 VanDerWaalsContact C-N 3.33Å; L300-L302 PolarHBondContact O-N 3.1Å; L300-Y303 PolarHBondContact O-N 3.19Å; L300-R304 VanDerWaalsContact O-CG 3.31Å; L300-R304 WeakPolarHBondContact O-CG 3.22Å; L300-R304 PolarHBondContact O-N 3.44Å; L300-I318 HydrophobicContact CD1-CB 4.33Å; L300-I318 HydrophobicContact CD1-CG1 4.28Å; L300-I318 HydrophobicContact CD1-CG2 3.91Å; L300-T321 HydrophobicContact CB-CG2 4.04Å; L300-E322 HydrophobicContact CD1-CG 3.84Å; L300-E322 HydrophobicContact CD2-CG 3.71Å; L300-E322 HydrophobicContact CG-CG 4.46Å; L300-L325 HydrophobicContact CD2-CD1 3.85Å
301	D	98.4	Very high	97.5	Very high	79 Å²	79	67 Å²	67	42%	0.422	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-40	176.6	-76.2	-16.8	0	0	0	111.9	R297 Q298 A299 R304 K305	R297-D301 PolarHBondContact O-N 3.07Å; Q298-D301 PolarHBondContact O-N 2.94Å; A299-D301 PolarHBondContact O-N 3.48Å; D301-R304 PolarHBondContact O-N 2.9Å; D301-K305 PolarHBondContact O-N 3.09Å; D301-K305 VanDerWaalsContact O-N 3.16Å
302	L	98.5	Very high	97.6	Very high	16 Å²	16	70.9 Å²	70.9	8%	0.084	37%	0.368	C	S	.	.	H	α-helix	trans	-69.5	-43	175.4	-72.5	164.9	0	0	0	112.1	W279 L282 A283 Y286 Q298 A299 L300 R304 K305 V306	W279-L302 HydrophobicContact CB-CD2 4.22Å; W279-L302 HydrophobicContact CG-CD2 4.32Å; L282-L302 HydrophobicContact CB-CD1 3.65Å; A283-L302 HydrophobicContact CB-CB 3.68Å; A283-L302 HydrophobicContact CB-CD1 4.43Å; Y286-L302 HydrophobicContact CD2-CD1 3.61Å; Y286-L302 HydrophobicContact CE2-CD1 3.85Å; Q298-L302 WeakPolarHBondContact O-CG 3.42Å; Q298-L302 PolarHBondContact O-N 3.31Å; A299-L302 PolarHBondContact O-N 2.92Å; L300-L302 VanDerWaalsContact C-N 3.33Å; L300-L302 PolarHBondContact O-N 3.1Å; L302-R304 VanDerWaalsContact C-N 3.27Å; L302-R304 PolarHBondContact O-N 2.84Å; L302-K305 HydrophobicContact CD2-CD 4.49Å; L302-K305 WeakPolarHBondContact O-CB 3.49Å; L302-K305 PolarHBondContact O-N 3.42Å; L302-K305 VanDerWaalsContact O-N 3.08Å; L302-V306 WeakPolarHBondContact O-CG2 3.48Å; L302-V306 PolarHBondContact O-N 3.05Å
303	Y	98.6	Very high	97.7	Very high	5 Å²	5	70.8 Å²	70.8	2%	0.02	38%	0.376	C	S	.	.	H	α-helix	trans	-59.1	-40	173.5	-72	-49.4	0	0	0	111.6	Y280 A283 I284 A299 L300 K305 V306 Q307 V314 E317	Y280-Y303 HydrophobicContact CD2-CD1 4.4Å; Y280-Y303 HydrophobicContact CD2-CE1 4.07Å; Y280-Y303 HydrophobicContact CE2-CE1 4.2Å; A283-Y303 HydrophobicContact CB-CD1 3.55Å; A283-Y303 HydrophobicContact CB-CD2 4.09Å; A283-Y303 HydrophobicContact CB-CE1 3.38Å; A283-Y303 HydrophobicContact CB-CE2 3.96Å; A283-Y303 HydrophobicContact CB-CG 3.89Å; I284-Y303 WeakPolarHBondContact CG1-OH 3.39Å; A299-Y303 HydrophobicContact CB-CE2 4.29Å; A299-Y303 WeakPolarHBondContact O-CD2 3.43Å; A299-Y303 PolarHBondContact O-N 3.43Å; L300-Y303 PolarHBondContact O-N 3.19Å; Y303-K305 VanDerWaalsContact C-N 3.31Å; Y303-K305 PolarHBondContact O-N 2.92Å; Y303-V306 WeakPolarHBondContact O-CB 3.45Å; Y303-V306 PolarHBondContact O-N 3.21Å; Y303-V306 VanDerWaalsContact O-N 3.11Å; Y303-Q307 PolarHBondContact O-N 3.1Å; Y303-V314 HydrophobicContact CD1-CB 4.24Å; Y303-V314 HydrophobicContact CD1-CG1 4.28Å; Y303-V314 VanDerWaalsContact O-CG2 3.32Å; Y303-V314 WeakPolarHBondContact O-CG2 3.34Å; Y303-E317 HydrophobicContact CD1-CB 4.16Å; Y303-E317 HydrophobicContact CD2-CB 4.26Å; Y303-E317 HydrophobicContact CE1-CB 3.86Å; Y303-E317 HydrophobicContact CE1-CG 4.21Å; Y303-E317 HydrophobicContact CE2-CB 3.97Å; Y303-E317 HydrophobicContact CG-CB 4.37Å
304	R	98.3	Very high	97.7	Very high	119 Å²	119	65.6 Å²	65.6	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-34.7	174.9	-73	170.1	178	169.3	-0.7	112.8	L300 D301 L302 Q307 S308 I318 E322	L300-R304 VanDerWaalsContact O-CG 3.31Å; L300-R304 WeakPolarHBondContact O-CG 3.22Å; L300-R304 PolarHBondContact O-N 3.44Å; D301-R304 PolarHBondContact O-N 2.9Å; L302-R304 VanDerWaalsContact C-N 3.27Å; L302-R304 PolarHBondContact O-N 2.84Å; R304-Q307 PolarHBondContact O-N 2.94Å; R304-S308 WeakPolarHBondContact O-CB 3.37Å; R304-S308 PolarHBondContact O-N 3.1Å; R304-S308 PolarHBondContact O-OG 3.07Å; R304-I318 HydrophobicContact CG-CD1 4.36Å; R304-E322 IonicContact CZ-OE1 2.67Å; R304-E322 IonicContact NH2-OE1 3.87Å; R304-E322 PolarHBondContact NH2-OE1 2.97Å
305	K	98.3	Very high	97.7	Very high	103 Å²	103	63.2 Å²	63.2	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-39.8	170.9	-69.9	-179.9	178.4	179.8	0	112.6	W279 D301 L302 Y303 S308 S309	W279-K305 HydrophobicContact CD2-CB 3.98Å; W279-K305 HydrophobicContact CD2-CD 4.34Å; W279-K305 HydrophobicContact CE3-CB 3.67Å; W279-K305 HydrophobicContact CG-CB 4.49Å; W279-K305 HydrophobicContact CZ3-CB 4.03Å; D301-K305 PolarHBondContact O-N 3.09Å; D301-K305 VanDerWaalsContact O-N 3.16Å; L302-K305 HydrophobicContact CD2-CD 4.49Å; L302-K305 WeakPolarHBondContact O-CB 3.49Å; L302-K305 PolarHBondContact O-N 3.42Å; L302-K305 VanDerWaalsContact O-N 3.08Å; Y303-K305 VanDerWaalsContact C-N 3.31Å; Y303-K305 PolarHBondContact O-N 2.92Å; K305-S308 PolarHBondContact O-N 3.44Å; K305-S308 PolarHBondContact O-OG 3.38Å; K305-S309 PolarHBondContact O-N 3.27Å; K305-S309 VanDerWaalsContact O-N 3.09Å
306	V	98.4	Very high	97.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-65.8	-42	175.1	178.4	0	0	0	0	111	W279 L302 Y303 S308 S309 R312 V314	W279-V306 HydrophobicContact CB-CG2 3.63Å; L302-V306 WeakPolarHBondContact O-CG2 3.48Å; L302-V306 PolarHBondContact O-N 3.05Å; Y303-V306 WeakPolarHBondContact O-CB 3.45Å; Y303-V306 PolarHBondContact O-N 3.21Å; Y303-V306 VanDerWaalsContact O-N 3.11Å; V306-S308 VanDerWaalsContact C-N 3.32Å; V306-S308 PolarHBondContact O-N 3.42Å; V306-S309 PolarHBondContact O-N 2.9Å; V306-S309 PolarHBondContact O-OG 3.41Å; V306-R312 HydrophobicContact CG1-CB 3.83Å; V306-V314 HydrophobicContact CB-CG1 4.28Å; V306-V314 HydrophobicContact CB-CG2 4.22Å; V306-V314 HydrophobicContact CG1-CG1 3.66Å; V306-V314 HydrophobicContact CG1-CG2 4.24Å
307	Q	98.1	Very high	97.7	Very high	70 Å²	70	66.2 Å²	66.2	33%	0.327	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-40.3	177.5	-171.1	61.6	64.1	0	0	111.6	Y303 R304 G310 V314 I318	Y303-Q307 PolarHBondContact O-N 3.1Å; R304-Q307 PolarHBondContact O-N 2.94Å; Q307-G310 PolarHBondContact O-N 3.3Å; Q307-V314 HydrophobicContact CB-CG2 3.76Å; Q307-I318 HydrophobicContact CB-CD1 4.11Å; Q307-I318 HydrophobicContact CG-CD1 4.4Å
308	S	97.9	Very high	97.7	Very high	99 Å²	99	58.5 Å²	58.5	69%	0.692	31%	0.313	S	S	*	.	H	α-helix	trans	-74.1	-24.9	-179.5	68.7	0	0	0	0	113.7	R304 K305 V306 G310	R304-S308 WeakPolarHBondContact O-CB 3.37Å; R304-S308 PolarHBondContact O-N 3.1Å; R304-S308 PolarHBondContact O-OG 3.07Å; K305-S308 PolarHBondContact O-N 3.44Å; K305-S308 PolarHBondContact O-OG 3.38Å; V306-S308 VanDerWaalsContact C-N 3.32Å; V306-S308 PolarHBondContact O-N 3.42Å; S308-G310 PolarHBondContact O-N 3.12Å
309	S	96.6	Very high	97.7	Very high	50 Å²	50	61.3 Å²	61.3	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-70.7	-21.4	171.9	74.1	0	0	0	0	112.9	A276 K305 V306 T311	A276-S309 WeakPolarHBondContact CB-OG 3.3Å; K305-S309 PolarHBondContact O-N 3.27Å; K305-S309 VanDerWaalsContact O-N 3.09Å; V306-S309 PolarHBondContact O-N 2.9Å; V306-S309 PolarHBondContact O-OG 3.41Å; S309-T311 PolarHBondContact O-N 2.86Å; S309-T311 PolarHBondContact OG-N 3.05Å; S309-T311 PolarHBondContact OG-OG1 3.2Å
310	G	95.2	Very high	97.6	Very high	63 Å²	63	65.2 Å²	65.2	65%	0.649	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	9	-177.9	0	0	0	0	0	114.6	Q307 S308	Q307-G310 PolarHBondContact O-N 3.3Å; S308-G310 PolarHBondContact O-N 3.12Å
311	T	94	Very high	97.6	Very high	95 Å²	95	64.7 Å²	64.7	58%	0.583	34%	0.336	S	S	*	.	S	Bend	trans	-81.9	-23.4	-176.2	56.2	0	0	0	0	113.7	A276 S309	A276-T311 HydrophobicContact CB-CG2 4.11Å; A276-T311 WeakPolarHBondContact CB-OG1 3.25Å; S309-T311 PolarHBondContact O-N 2.86Å; S309-T311 PolarHBondContact OG-N 3.05Å; S309-T311 PolarHBondContact OG-OG1 3.2Å
312	R	96.5	Very high	97.5	Very high	108 Å²	108	64.8 Å²	64.8	41%	0.408	33%	0.334	S	S	.	.	S	Bend	trans	-149.9	135.8	-178.1	-169	-177.4	-153.8	125.6	8.1	109.4	Y280 V306 V314	Y280-R312 VanDerWaalsContact CD1-NH1 3.3Å; Y280-R312 VanDerWaalsContact CZ-CZ 3.43Å; V306-R312 HydrophobicContact CG1-CB 3.83Å; R312-V314 HydrophobicContact CB-CG1 4.4Å; R312-V314 HydrophobicContact CG-CG1 4.14Å; R312-V314 PolarHBondContact O-N 3.23Å
313	D	97.4	Very high	97.4	Very high	112 Å²	112	70.6 Å²	70.6	60%	0.599	37%	0.365	S	S	*	.			trans	-73.6	119.8	166.8	-176.7	11.9	0	0	0	108.8	S315	D313-S315 WeakPolarHBondContact OD1-CB 3.34Å; D313-S315 PolarHBondContact OD1-N 3.47Å; D313-S315 PolarHBondContact OD1-OG 3.29Å
314	V	97.8	Very high	97.3	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.392	C	S	.	.			trans	-123.3	21.5	177.8	-65.7	0	0	0	0	111.1	Y280 Y303 V306 Q307 R312 Q316 E317 I318	Y280-V314 HydrophobicContact CD2-CG1 3.82Å; Y280-V314 HydrophobicContact CE2-CG1 3.98Å; Y303-V314 HydrophobicContact CD1-CB 4.24Å; Y303-V314 HydrophobicContact CD1-CG1 4.28Å; Y303-V314 VanDerWaalsContact O-CG2 3.32Å; Y303-V314 WeakPolarHBondContact O-CG2 3.34Å; V306-V314 HydrophobicContact CB-CG1 4.28Å; V306-V314 HydrophobicContact CB-CG2 4.22Å; V306-V314 HydrophobicContact CG1-CG1 3.66Å; V306-V314 HydrophobicContact CG1-CG2 4.24Å; Q307-V314 HydrophobicContact CB-CG2 3.76Å; R312-V314 HydrophobicContact CB-CG1 4.4Å; R312-V314 HydrophobicContact CG-CG1 4.14Å; R312-V314 PolarHBondContact O-N 3.23Å; V314-Q316 PolarHBondContact O-N 3.14Å; V314-E317 VanDerWaalsContact CA-OE2 3.26Å; V314-E317 WeakPolarHBondContact CA-OE2 3.48Å; V314-E317 PolarHBondContact O-N 2.99Å; V314-I318 HydrophobicContact CG2-CD1 3.94Å; V314-I318 HydrophobicContact CG2-CG1 4.36Å; V314-I318 WeakPolarHBondContact O-CB 3.46Å; V314-I318 VanDerWaalsContact O-CG1 3.3Å; V314-I318 WeakPolarHBondContact O-CG1 3.33Å; V314-I318 PolarHBondContact O-N 2.9Å
315	S	97.7	Very high	97.1	Very high	39 Å²	39	75.9 Å²	75.9	27%	0.273	40%	0.402	S	S	.	.	H	α-helix	trans	-61.9	-30.7	-177.3	-58.7	0	0	0	0	112.4	D313 R319	D313-S315 WeakPolarHBondContact OD1-CB 3.34Å; D313-S315 PolarHBondContact OD1-N 3.47Å; D313-S315 PolarHBondContact OD1-OG 3.29Å; S315-R319 WeakPolarHBondContact O-CG 3.18Å; S315-R319 PolarHBondContact O-N 3.23Å; S315-R319 PolarHBondContact O-NH1 2.8Å
316	Q	97.8	Very high	97	Very high	112 Å²	112	74.6 Å²	74.6	52%	0.523	40%	0.399	S	S	.	.	H	α-helix	trans	-72.5	-50.1	176.9	178.6	173.4	-7.7	0	0	110.8	V314 I318 R319 E320	V314-Q316 PolarHBondContact O-N 3.14Å; Q316-I318 VanDerWaalsContact C-N 3.27Å; Q316-I318 PolarHBondContact O-N 3.28Å; Q316-R319 PolarHBondContact O-N 2.79Å; Q316-R319 VanDerWaalsContact O-N 3.13Å; Q316-E320 HydrophobicContact CG-CG 4.34Å; Q316-E320 VanDerWaalsContact CG-OE1 3.25Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.44Å; Q316-E320 PolarHBondContact NE2-OE1 3.12Å; Q316-E320 WeakPolarHBondContact O-CG 3.49Å; Q316-E320 PolarHBondContact O-N 3.15Å
317	E	98.1	Very high	96.9	Very high	41 Å²	41	78.5 Å²	78.5	19%	0.192	42%	0.42	C	S	.	.	H	α-helix	trans	-61.2	-36.3	179.7	-64.6	88.2	153.1	0	0	111.8	Y303 V314 T321	Y303-E317 HydrophobicContact CD1-CB 4.16Å; Y303-E317 HydrophobicContact CD2-CB 4.26Å; Y303-E317 HydrophobicContact CE1-CB 3.86Å; Y303-E317 HydrophobicContact CE1-CG 4.21Å; Y303-E317 HydrophobicContact CE2-CB 3.97Å; Y303-E317 HydrophobicContact CG-CB 4.37Å; V314-E317 VanDerWaalsContact CA-OE2 3.26Å; V314-E317 WeakPolarHBondContact CA-OE2 3.48Å; V314-E317 PolarHBondContact O-N 2.99Å; E317-T321 VanDerWaalsContact O-CB 3.23Å; E317-T321 WeakPolarHBondContact O-CB 3.35Å; E317-T321 PolarHBondContact O-N 2.64Å; E317-T321 PolarHBondContact O-OG1 3.34Å
318	I	98.3	Very high	96.9	Very high	24 Å²	24	78.9 Å²	78.9	12%	0.123	43%	0.425	C	S	.	.	H	α-helix	trans	-61.5	-52.7	172.4	-73.2	173	0	0	0	110.5	L300 R304 Q307 V314 Q316 E320 T321 E322	L300-I318 HydrophobicContact CD1-CB 4.33Å; L300-I318 HydrophobicContact CD1-CG1 4.28Å; L300-I318 HydrophobicContact CD1-CG2 3.91Å; R304-I318 HydrophobicContact CG-CD1 4.36Å; Q307-I318 HydrophobicContact CB-CD1 4.11Å; Q307-I318 HydrophobicContact CG-CD1 4.4Å; V314-I318 HydrophobicContact CG2-CD1 3.94Å; V314-I318 HydrophobicContact CG2-CG1 4.36Å; V314-I318 WeakPolarHBondContact O-CB 3.46Å; V314-I318 VanDerWaalsContact O-CG1 3.3Å; V314-I318 WeakPolarHBondContact O-CG1 3.33Å; V314-I318 PolarHBondContact O-N 2.9Å; Q316-I318 VanDerWaalsContact C-N 3.27Å; Q316-I318 PolarHBondContact O-N 3.28Å; I318-E320 PolarHBondContact O-N 3.03Å; I318-T321 PolarHBondContact O-N 3.42Å; I318-E322 HydrophobicContact CG2-CG 4.47Å; I318-E322 WeakPolarHBondContact O-CB 3.33Å; I318-E322 WeakPolarHBondContact O-CG 3.33Å; I318-E322 PolarHBondContact O-N 3.14Å
319	R	98.1	Very high	96.8	Very high	141 Å²	141	77.8 Å²	77.8	53%	0.532	41%	0.41	S	S	.	.	H	α-helix	trans	-59.8	-47.5	-179.9	-75.1	-172.5	-58.9	-95.5	0.6	111.6	S315 Q316 T321 E322 D323	S315-R319 WeakPolarHBondContact O-CG 3.18Å; S315-R319 PolarHBondContact O-N 3.23Å; S315-R319 PolarHBondContact O-NH1 2.8Å; Q316-R319 PolarHBondContact O-N 2.79Å; Q316-R319 VanDerWaalsContact O-N 3.13Å; R319-T321 VanDerWaalsContact C-N 3.31Å; R319-T321 PolarHBondContact O-N 3.31Å; R319-E322 PolarHBondContact O-N 3.34Å; R319-D323 PolarHBondContact O-N 2.96Å
320	E	97.2	Very high	96.8	Very high	83 Å²	83	79.5 Å²	79.5	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-62.6	-38.2	179.3	-71.1	174.2	-177.8	0	0	112.1	Q316 I318 L324	Q316-E320 HydrophobicContact CG-CG 4.34Å; Q316-E320 VanDerWaalsContact CG-OE1 3.25Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.44Å; Q316-E320 PolarHBondContact NE2-OE1 3.12Å; Q316-E320 WeakPolarHBondContact O-CG 3.49Å; Q316-E320 PolarHBondContact O-N 3.15Å; I318-E320 PolarHBondContact O-N 3.03Å; E320-L324 WeakPolarHBondContact O-CG 3.04Å; E320-L324 PolarHBondContact O-N 3.02Å
321	T	97.7	Very high	96.9	Very high	0 Å²	0	80.6 Å²	80.6	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-71.7	-36.2	176.9	-56.7	0	0	0	0	111.8	H287 L296 A299 L300 E317 I318 R319 L324	H287-T321 PolarHBondContact ND1-OG1 2.77Å; H287-T321 VanDerWaalsContact ND1-OG1 3.14Å; L296-T321 HydrophobicContact CB-CG2 4.05Å; L296-T321 HydrophobicContact CD2-CG2 4.27Å; L296-T321 WeakPolarHBondContact O-CG2 3.3Å; A299-T321 HydrophobicContact CB-CG2 4.39Å; L300-T321 HydrophobicContact CB-CG2 4.04Å; E317-T321 VanDerWaalsContact O-CB 3.23Å; E317-T321 WeakPolarHBondContact O-CB 3.35Å; E317-T321 PolarHBondContact O-N 2.64Å; E317-T321 PolarHBondContact O-OG1 3.34Å; I318-T321 PolarHBondContact O-N 3.42Å; R319-T321 VanDerWaalsContact C-N 3.31Å; R319-T321 PolarHBondContact O-N 3.31Å; T321-L324 PolarHBondContact O-N 3.05Å
322	E	97.6	Very high	97.1	Very high	80 Å²	80	79.6 Å²	79.6	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-66.8	-36.5	174.9	-75.3	177.2	164.8	0	0	112.1	L300 R304 I318 R319 L324 L325	L300-E322 HydrophobicContact CD1-CG 3.84Å; L300-E322 HydrophobicContact CD2-CG 3.71Å; L300-E322 HydrophobicContact CG-CG 4.46Å; R304-E322 IonicContact CZ-OE1 2.67Å; R304-E322 IonicContact NH2-OE1 3.87Å; R304-E322 PolarHBondContact NH2-OE1 2.97Å; I318-E322 HydrophobicContact CG2-CG 4.47Å; I318-E322 WeakPolarHBondContact O-CB 3.33Å; I318-E322 WeakPolarHBondContact O-CG 3.33Å; I318-E322 PolarHBondContact O-N 3.14Å; R319-E322 PolarHBondContact O-N 3.34Å; E322-L324 PolarHBondContact O-N 2.79Å; E322-L325 PolarHBondContact O-N 3.27Å
323	D	96.9	Very high	97.2	Very high	139 Å²	139	77.4 Å²	77.4	74%	0.743	38%	0.383	S	S	*	.	H	α-helix	trans	-67.6	-19.5	176.8	-73	-20.1	0	0	0	113.4	R319	R319-D323 PolarHBondContact O-N 2.96Å
324	L	96.1	Very high	97.2	Very high	109 Å²	109	74.5 Å²	74.5	57%	0.571	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.3	-179.5	-68.4	172.7	0	0	0	114.3	L296 E320 T321 E322	L296-L324 HydrophobicContact CD1-CB 3.55Å; L296-L324 WeakPolarHBondContact CD1-O 3.43Å; E320-L324 WeakPolarHBondContact O-CG 3.04Å; E320-L324 PolarHBondContact O-N 3.02Å; T321-L324 PolarHBondContact O-N 3.05Å; E322-L324 PolarHBondContact O-N 2.79Å
325	L	92.6	Very high	97.1	Very high	126 Å²	126	81.3 Å²	81.3	66%	0.66	40%	0.398	S	S	*	.			trans	-93.5	0	-175	-87.8	169.8	0	0	0	113.8	L296 R297 L300 E322	L296-L325 HydrophobicContact CB-CD1 4.27Å; L296-L325 HydrophobicContact CB-CD2 3.64Å; L296-L325 HydrophobicContact CB-CG 3.76Å; L296-L325 HydrophobicContact CD1-CD2 4.4Å; L296-L325 HydrophobicContact CD1-CG 4.29Å; R297-L325 HydrophobicContact CG-CD2 3.82Å; L300-L325 HydrophobicContact CD2-CD1 3.85Å; E322-L325 PolarHBondContact O-N 3.27Å

Retrieved 325 of 325 residues in 222 ms (Link to these results)

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