A0A077ZEL0_TRITR Loading...

6-phosphogluconate dehydrogenase, decarboxylating

Catalyzes the oxidative decarboxylation of 6-phosphogluconate to ribulose 5-phosphate and CO(2), with concomitant reduction of NADP to NADPH.

AlphaFold DB , UniProt , Accession A0A077ZEL0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 486 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	41.8	Very low	85.1	Confident	243 Å²	243	51 Å²	51	100%	1.197	29%	0.291	S	S	*	.				0	129.1	0	-69.9	-178	-163	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 3.31Å
2	A	54.1	Low	86.1	Confident	87 Å²	87	46.8 Å²	46.8	72%	0.719	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-54.8	138.6	172.2	0	0	0	0	0	109.3	K4	A2-K4 PolarHBondContact O-N 3.4Å
3	S	64	Low	86.8	Confident	87 Å²	87	47.6 Å²	47.6	61%	0.608	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-59.1	116.1	176.3	57.4	0	0	0	0	108.2	M1	M1-S3 PolarHBondContact O-N 3.31Å
4	K	86.5	Confident	87.2	Confident	108 Å²	108	49.4 Å²	49.4	47%	0.47	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-53.3	143.5	176.3	-74.1	-167.6	172.5	-167.7	0	110.1	A2 L65 K67	A2-K4 PolarHBondContact O-N 3.4Å; K4-L65 CarbonylContact C-O 3.26Å; K4-L65 WeakPolarHBondContact CA-O 3.46Å; K4-L65 VanDerWaalsContact CB-O 3.29Å; K4-L65 WeakPolarHBondContact CB-O 3.5Å; K4-K67 HydrophobicContact CB-CG 3.55Å; K4-K67 WeakPolarHBondContact O-CE 3.47Å
5	A	97.9	Very high	87.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-68.5	142.1	177.5	0	0	0	0	0	111.6	T29 C31 L65 V66 K67	A5-T29 CarbonylContact C-O 3.56Å; A5-T29 WeakPolarHBondContact CA-O 3.45Å; A5-T29 HydrophobicContact CB-CG2 4.08Å; A5-C31 HydrophobicContact CB-CB 3.75Å; A5-L65 PolarHBondContact N-O 2.72Å; A5-V66 HydrophobicContact CB-CG2 4.48Å; A5-V66 WeakPolarHBondContact O-CA 3.48Å; A5-K67 WeakPolarHBondContact O-CG 3.38Å; A5-K67 PolarHBondContact O-N 2.92Å
6	D	98.5	Very high	88.2	Confident	30 Å²	30	46.8 Å²	46.8	16%	0.16	28%	0.275	C	S	.	.	S	Bend	trans	-68.9	-36.5	173.8	-64.2	-68.3	0	0	0	111.3	F28 T29 K67 R71 I157	D6-F28 HydrophobicContact CB-CB 4.24Å; D6-F28 HydrophobicContact CB-CD1 4.17Å; D6-T29 PolarHBondContact N-O 3.33Å; D6-T29 PolarHBondContact OD2-N 3.42Å; D6-K67 WeakPolarHBondContact OD1-CE 3.45Å; D6-K67 IonicContact OD1-NZ 3.08Å; D6-K67 PolarHBondContact OD1-NZ 3.44Å; D6-K67 IonicContact OD2-NZ 3.56Å; D6-R71 PolarHBondContact O-NE 3.39Å; D6-R71 PolarHBondContact O-NH2 3.45Å; D6-I157 HydrophobicContact CB-CD1 4.5Å
7	I	98.7	Very high	88.8	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	149.2	-178.6	-173.2	166.2	0	0	0	109.8	M23 V30 C31 R71 M73 I100 I157	I7-M23 HydrophobicContact CD1-CE 4.1Å; I7-M23 HydrophobicContact CD1-SD 4.44Å; I7-M23 HydrophobicContact CG2-SD 3.77Å; I7-V30 HydrophobicContact CG2-CB 4.48Å; I7-V30 HydrophobicContact CG2-CG1 4.14Å; I7-V30 HydrophobicContact CG2-CG2 4.02Å; I7-V30 CarbonylContact O-C 3.46Å; I7-V30 WeakPolarHBondContact O-CA 3.32Å; I7-C31 PolarHBondContact O-N 3.24Å; I7-R71 WeakPolarHBondContact CA-O 3.34Å; I7-R71 HydrophobicContact CB-CB 4.3Å; I7-R71 HydrophobicContact CD1-CB 4.34Å; I7-R71 HydrophobicContact CG1-CB 3.95Å; I7-R71 WeakPolarHBondContact CG1-O 3.06Å; I7-M73 HydrophobicContact CD1-CB 4.33Å; I7-I100 HydrophobicContact CD1-CD1 4.3Å; I7-I157 HydrophobicContact CB-CD1 4.11Å; I7-I157 HydrophobicContact CD1-CD1 4.41Å; I7-I157 HydrophobicContact CG2-CD1 4.39Å
8	A	98.7	Very high	89.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	145.8	165.3	0	0	0	0	0	111.1	C31 M62 V66 R71 I72 M73	A8-C31 CarbonylContact C-O 3.48Å; A8-C31 WeakPolarHBondContact CA-O 3.33Å; A8-C31 HydrophobicContact CB-CB 4.08Å; A8-M62 HydrophobicContact CB-CE 4.28Å; A8-M62 HydrophobicContact CB-CG 3.69Å; A8-M62 HydrophobicContact CB-SD 3.65Å; A8-V66 HydrophobicContact CB-CG2 3.55Å; A8-R71 PolarHBondContact N-O 2.67Å; A8-I72 HydrophobicContact CB-CG1 4.4Å; A8-I72 HydrophobicContact CB-CG2 4.49Å; A8-I72 WeakPolarHBondContact O-CA 3.45Å; A8-M73 PolarHBondContact O-N 3Å
9	V	98.8	Very high	89.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.8	173.4	179.6	0	0	0	0	108.8	I20 M23 V30 C31 F33 M73 M75	V9-I20 HydrophobicContact CB-CD1 3.85Å; V9-I20 HydrophobicContact CB-CG1 3.65Å; V9-I20 HydrophobicContact CG1-CD1 3.95Å; V9-I20 HydrophobicContact CG1-CG1 3.91Å; V9-I20 HydrophobicContact CG2-CG1 3.76Å; V9-M23 HydrophobicContact CG2-SD 4.16Å; V9-V30 HydrophobicContact CB-CG1 4.42Å; V9-V30 HydrophobicContact CG2-CG1 3.83Å; V9-C31 PolarHBondContact N-O 2.98Å; V9-F33 PolarHBondContact O-N 3Å; V9-M73 CarbonylContact C-O 3.44Å; V9-M73 WeakPolarHBondContact CA-O 3.44Å; V9-M73 HydrophobicContact CG2-CB 4.33Å; V9-M75 HydrophobicContact CG1-CB 4.37Å; V9-M75 HydrophobicContact CG1-CG 3.98Å
10	I	98.7	Very high	90.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.1	175.4	-54.7	-175.8	0	0	0	108.9	F33 L59 M62 I72 M73 L74 M75 V76 F85 L89	I10-F33 WeakPolarHBondContact CA-O 3.3Å; I10-F33 HydrophobicContact CB-CD1 4.44Å; I10-F33 HydrophobicContact CD1-CD1 4.27Å; I10-F33 HydrophobicContact CG1-CB 4.36Å; I10-F33 HydrophobicContact CG1-CD1 4.04Å; I10-F33 HydrophobicContact CG2-CD1 3.93Å; I10-L59 HydrophobicContact CD1-CD2 3.91Å; I10-M62 HydrophobicContact CD1-CE 3.93Å; I10-M62 HydrophobicContact CD1-SD 3.87Å; I10-M62 HydrophobicContact CG1-CE 4.35Å; I10-M62 HydrophobicContact CG1-SD 3.66Å; I10-I72 HydrophobicContact CD1-CG2 3.82Å; I10-I72 HydrophobicContact CG1-CG2 4.06Å; I10-M73 PolarHBondContact N-O 2.92Å; I10-L74 HydrophobicContact CB-CD2 3.9Å; I10-L74 HydrophobicContact CD1-CD2 3.67Å; I10-L74 HydrophobicContact CG1-CD2 4.07Å; I10-L74 HydrophobicContact CG2-CD2 4.47Å; I10-M75 PolarHBondContact O-N 2.92Å; I10-V76 HydrophobicContact CG2-CG1 4.13Å; I10-F85 HydrophobicContact CD1-CD1 4.11Å; I10-F85 HydrophobicContact CD1-CE1 4.39Å; I10-F85 HydrophobicContact CG2-CD1 4.02Å; I10-F85 HydrophobicContact CG2-CD2 4.14Å; I10-F85 HydrophobicContact CG2-CE1 3.64Å; I10-F85 HydrophobicContact CG2-CE2 3.76Å; I10-F85 HydrophobicContact CG2-CG 4.27Å; I10-F85 HydrophobicContact CG2-CZ 3.48Å; I10-F85 VanDerWaalsContact CG2-CZ 3.48Å; I10-L89 HydrophobicContact CD1-CD1 3.99Å; I10-L89 HydrophobicContact CD1-CD2 4.32Å
11	G	98.1	Very high	90.6	Very high	4 Å²	4	39.6 Å²	39.6	4%	0.041	23%	0.229	C	C	.	.			trans	114.2	101.5	177.1	0	0	0	0	0	112.1	A13 G16 F33	G11-A13 PolarHBondContact O-N 3Å; G11-G16 WeakPolarHBondContact O-CA 3.42Å; G11-F33 PolarHBondContact N-O 2.92Å
12	L	97.7	Very high	93.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	17%	0.173	C	C	.	.			trans	-102.3	47	-174.7	-61	177.2	0	0	0	112.2	Q17 I20 A32 N34 K39 V40 F43	L12-Q17 HydrophobicContact CB-CG 4.13Å; L12-Q17 HydrophobicContact CD2-CG 4.38Å; L12-Q17 PolarHBondContact O-NE2 3.22Å; L12-I20 HydrophobicContact CD2-CD1 3.28Å; L12-A32 HydrophobicContact CD1-CB 4.41Å; L12-A32 HydrophobicContact CD2-CB 4.1Å; L12-N34 HydrophobicContact CB-CB 4.27Å; L12-N34 HydrophobicContact CD1-CB 3.91Å; L12-N34 HydrophobicContact CG-CB 3.95Å; L12-N34 PolarHBondContact N-OD1 2.94Å; L12-K39 HydrophobicContact CB-CB 4.5Å; L12-K39 HydrophobicContact CD1-CB 4.5Å; L12-V40 HydrophobicContact CD1-CB 4.29Å; L12-V40 HydrophobicContact CD1-CG2 3.88Å; L12-F43 HydrophobicContact CD1-CB 4.3Å; L12-F43 HydrophobicContact CD1-CD1 4.35Å; L12-F43 HydrophobicContact CD2-CD1 4.14Å; L12-F43 HydrophobicContact CD2-CE1 4.36Å
13	A	95.1	Very high	95.5	Very high	57 Å²	57	23.9 Å²	23.9	47%	0.471	14%	0.139	S	C	.	.	S	Bend	trans	-79.4	176.3	161.8	0	0	0	0	0	110.1	G11 M15 G16 Q17	G11-A13 PolarHBondContact O-N 3Å; A13-M15 VanDerWaalsContact C-N 3.27Å; A13-M15 PolarHBondContact O-N 2.82Å; A13-M15 VanDerWaalsContact O-N 3.15Å; A13-G16 PolarHBondContact O-N 2.84Å; A13-Q17 PolarHBondContact O-N 3.07Å
14	V	92.7	Very high	97.1	Very high	73 Å²	73	20.7 Å²	20.7	44%	0.442	12%	0.115	S	C	.	.	H	α-helix	trans	-48	-46.3	-178.6	176.7	0	0	0	0	112.7	N18 E133	V14-N18 WeakPolarHBondContact O-CB 3.12Å; V14-N18 PolarHBondContact O-N 3.22Å; V14-N18 VanDerWaalsContact O-N 3.14Å; V14-N18 PolarHBondContact O-ND2 3.46Å; V14-E133 HydrophobicContact CG1-CB 3.73Å; V14-E133 HydrophobicContact CG1-CG 3.47Å; V14-E133 VanDerWaalsContact CG1-CG 3.47Å; V14-E133 WeakPolarHBondContact CG1-OE1 3.23Å
15	M	93.7	Very high	97.7	Very high	55 Å²	55	19.8 Å²	19.8	27%	0.271	12%	0.115	S	C	.	.	H	α-helix	trans	-63.8	-44.4	178.5	-68.9	-61	-61.2	0	0	113	A13 L19 M75 V129 G132 A136	A13-M15 VanDerWaalsContact C-N 3.27Å; A13-M15 PolarHBondContact O-N 2.82Å; A13-M15 VanDerWaalsContact O-N 3.15Å; M15-L19 VanDerWaalsContact O-CB 3.31Å; M15-L19 WeakPolarHBondContact O-CB 3.4Å; M15-L19 PolarHBondContact O-N 3.38Å; M15-L19 VanDerWaalsContact O-N 3.09Å; M15-M75 HydrophobicContact CB-CE 3.73Å; M15-V129 HydrophobicContact CE-CG1 3.93Å; M15-G132 VanDerWaalsContact SD-C 3.58Å; M15-G132 VanDerWaalsContact SD-O 3.36Å; M15-A136 HydrophobicContact CE-CB 3.76Å; M15-A136 HydrophobicContact SD-CB 4.14Å
16	G	96.9	Very high	97.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-69.8	-42.7	-177.7	0	0	0	0	0	112.4	G11 A13 L19 I20	G11-G16 WeakPolarHBondContact O-CA 3.42Å; A13-G16 PolarHBondContact O-N 2.84Å; G16-L19 PolarHBondContact O-N 2.84Å; G16-I20 WeakPolarHBondContact O-CD1 3.3Å; G16-I20 VanDerWaalsContact O-CG1 3.23Å; G16-I20 WeakPolarHBondContact O-CG1 3.46Å; G16-I20 PolarHBondContact O-N 2.9Å
17	Q	98	Very high	97.6	Very high	42 Å²	42	24 Å²	24	20%	0.196	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-50.2	176.9	-68.4	-177	26	0	0	111.5	L12 A13 L19 I20 L21 F43	L12-Q17 HydrophobicContact CB-CG 4.13Å; L12-Q17 HydrophobicContact CD2-CG 4.38Å; L12-Q17 PolarHBondContact O-NE2 3.22Å; A13-Q17 PolarHBondContact O-N 3.07Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 3.3Å; Q17-I20 WeakPolarHBondContact O-CB 3.09Å; Q17-I20 PolarHBondContact O-N 2.81Å; Q17-L21 WeakPolarHBondContact O-CG 3.42Å; Q17-L21 PolarHBondContact O-N 3.19Å; Q17-F43 HydrophobicContact CB-CD2 4.15Å; Q17-F43 HydrophobicContact CB-CE2 3.72Å; Q17-F43 HydrophobicContact CB-CZ 4.25Å; Q17-F43 HydrophobicContact CG-CD2 3.78Å; Q17-F43 HydrophobicContact CG-CE2 3.86Å; Q17-F43 HydrophobicContact CG-CG 4.33Å; Q17-F43 HydrophobicContact CG-CZ 4.46Å
18	N	98.2	Very high	97.6	Very high	23 Å²	23	25.5 Å²	25.5	12%	0.123	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-36.7	-179.5	-79.1	-66	0	0	0	112.4	V14 L21 N22 A136 R137	V14-N18 WeakPolarHBondContact O-CB 3.12Å; V14-N18 PolarHBondContact O-N 3.22Å; V14-N18 VanDerWaalsContact O-N 3.14Å; V14-N18 PolarHBondContact O-ND2 3.46Å; N18-L21 PolarHBondContact O-N 3.26Å; N18-N22 WeakPolarHBondContact O-CB 3.28Å; N18-N22 PolarHBondContact O-N 3.45Å; N18-A136 HydrophobicContact CB-CB 3.79Å; N18-R137 HydrophobicContact CB-CB 4Å; N18-R137 WeakPolarHBondContact OD1-CB 3.36Å; N18-R137 WeakPolarHBondContact OD1-CD 3.41Å
19	L	98.2	Very high	97.6	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-37.9	175.9	-168.6	65.4	0	0	0	112.2	M15 G16 Q17 N22 M23 M73 M75 P140 V161	M15-L19 VanDerWaalsContact O-CB 3.31Å; M15-L19 WeakPolarHBondContact O-CB 3.4Å; M15-L19 PolarHBondContact O-N 3.38Å; M15-L19 VanDerWaalsContact O-N 3.09Å; G16-L19 PolarHBondContact O-N 2.84Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 3.3Å; L19-N22 PolarHBondContact O-N 3.17Å; L19-M23 HydrophobicContact CD1-CE 4.39Å; L19-M23 HydrophobicContact CD2-CE 3.97Å; L19-M23 HydrophobicContact CG-CE 3.83Å; L19-M23 WeakPolarHBondContact O-CB 3.38Å; L19-M23 VanDerWaalsContact O-CG 3.29Å; L19-M23 WeakPolarHBondContact O-CG 3.28Å; L19-M23 PolarHBondContact O-N 2.86Å; L19-M73 HydrophobicContact CD2-CE 3.62Å; L19-M73 HydrophobicContact CD2-SD 3.59Å; L19-M73 VanDerWaalsContact CD2-SD 3.59Å; L19-M75 HydrophobicContact CD2-SD 4.41Å; L19-P140 HydrophobicContact CD1-CG 4.08Å; L19-V161 HydrophobicContact CD1-CG2 4.34Å
20	I	98.6	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-46.9	172.7	-70.4	159.4	0	0	0	110.7	V9 L12 G16 Q17 N22 M23 N24 V30 A32 F43 V53	V9-I20 HydrophobicContact CB-CD1 3.85Å; V9-I20 HydrophobicContact CB-CG1 3.65Å; V9-I20 HydrophobicContact CG1-CD1 3.95Å; V9-I20 HydrophobicContact CG1-CG1 3.91Å; V9-I20 HydrophobicContact CG2-CG1 3.76Å; L12-I20 HydrophobicContact CD2-CD1 3.28Å; G16-I20 WeakPolarHBondContact O-CD1 3.3Å; G16-I20 VanDerWaalsContact O-CG1 3.23Å; G16-I20 WeakPolarHBondContact O-CG1 3.46Å; G16-I20 PolarHBondContact O-N 2.9Å; Q17-I20 WeakPolarHBondContact O-CB 3.09Å; Q17-I20 PolarHBondContact O-N 2.81Å; I20-N22 VanDerWaalsContact C-N 3.33Å; I20-N22 PolarHBondContact O-N 3.23Å; I20-M23 PolarHBondContact O-N 3.07Å; I20-N24 PolarHBondContact O-N 3.28Å; I20-V30 HydrophobicContact CB-CG1 4.34Å; I20-V30 HydrophobicContact CG1-CG1 3.89Å; I20-V30 HydrophobicContact CG2-CB 3.99Å; I20-V30 HydrophobicContact CG2-CG1 3.91Å; I20-V30 HydrophobicContact CG2-CG2 4.45Å; I20-A32 HydrophobicContact CD1-CB 4.1Å; I20-F43 HydrophobicContact CB-CE1 4.29Å; I20-F43 HydrophobicContact CB-CZ 4.12Å; I20-F43 HydrophobicContact CD1-CE1 3.96Å; I20-F43 HydrophobicContact CD1-CZ 4.39Å; I20-F43 HydrophobicContact CG2-CE1 3.81Å; I20-F43 HydrophobicContact CG2-CZ 3.89Å; I20-V53 HydrophobicContact CG2-CB 4.35Å; I20-V53 HydrophobicContact CG2-CG1 3.78Å; I20-V53 HydrophobicContact CG2-CG2 3.53Å
21	L	98.6	Very high	97.6	Very high	16 Å²	16	26.2 Å²	26.2	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-41.1	178.5	-65.5	174.1	0	0	0	111.5	Q17 N18 N24 D25 F43 E47 A48 T51	Q17-L21 WeakPolarHBondContact O-CG 3.42Å; Q17-L21 PolarHBondContact O-N 3.19Å; N18-L21 PolarHBondContact O-N 3.26Å; L21-N24 WeakPolarHBondContact O-CB 3.37Å; L21-N24 PolarHBondContact O-N 3.02Å; L21-D25 VanDerWaalsContact O-CG 3.25Å; L21-D25 PolarHBondContact O-N 3.05Å; L21-F43 HydrophobicContact CD1-CE2 4.41Å; L21-F43 HydrophobicContact CD2-CE2 4.28Å; L21-F43 HydrophobicContact CD2-CZ 4.09Å; L21-F43 HydrophobicContact CG-CE2 4.23Å; L21-F43 HydrophobicContact CG-CZ 4.13Å; L21-E47 HydrophobicContact CD1-CB 4.16Å; L21-A48 HydrophobicContact CD2-CB 4.3Å; L21-T51 HydrophobicContact CD2-CG2 4.24Å
22	N	98.6	Very high	97.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-46.8	174.5	-171.6	-9.7	0	0	0	111.6	N18 L19 I20 N24 D25 H26 A136 R137 V161	N18-N22 WeakPolarHBondContact O-CB 3.28Å; N18-N22 PolarHBondContact O-N 3.45Å; L19-N22 PolarHBondContact O-N 3.17Å; I20-N22 VanDerWaalsContact C-N 3.33Å; I20-N22 PolarHBondContact O-N 3.23Å; N22-N24 VanDerWaalsContact C-N 3.34Å; N22-N24 PolarHBondContact O-N 3.19Å; N22-D25 PolarHBondContact O-N 3Å; N22-H26 PolarHBondContact O-N 3.5Å; N22-H26 VanDerWaalsContact O-N 3.15Å; N22-H26 PolarHBondContact O-ND1 2.98Å; N22-H26 PolarHBondContact OD1-CE1 3.46Å; N22-H26 PolarHBondContact OD1-ND1 2.98Å; N22-A136 WeakPolarHBondContact CB-O 2.96Å; N22-A136 PolarHBondContact ND2-O 3.12Å; N22-R137 VanDerWaalsContact CB-O 3.31Å; N22-R137 WeakPolarHBondContact CB-O 3.44Å; N22-V161 PolarHBondContact ND2-O 3.47Å
23	M	98.6	Very high	97.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-42.5	174.7	-73	171.1	-179.6	0	0	112.2	I7 V9 L19 I20 H26 G27 F28 V30 M73 I157 V161	I7-M23 HydrophobicContact CD1-CE 4.1Å; I7-M23 HydrophobicContact CD1-SD 4.44Å; I7-M23 HydrophobicContact CG2-SD 3.77Å; V9-M23 HydrophobicContact CG2-SD 4.16Å; L19-M23 HydrophobicContact CD1-CE 4.39Å; L19-M23 HydrophobicContact CD2-CE 3.97Å; L19-M23 HydrophobicContact CG-CE 3.83Å; L19-M23 WeakPolarHBondContact O-CB 3.38Å; L19-M23 VanDerWaalsContact O-CG 3.29Å; L19-M23 WeakPolarHBondContact O-CG 3.28Å; L19-M23 PolarHBondContact O-N 2.86Å; I20-M23 PolarHBondContact O-N 3.07Å; M23-H26 CarbonylContact O-C 3.58Å; M23-H26 PolarHBondContact O-N 2.8Å; M23-G27 PolarHBondContact O-N 2.77Å; M23-F28 HydrophobicContact CB-CB 4.49Å; M23-F28 WeakPolarHBondContact O-CB 3.17Å; M23-F28 WeakPolarHBondContact O-CD2 3.31Å; M23-F28 PolarHBondContact O-N 3.34Å; M23-F28 VanDerWaalsContact O-N 3.09Å; M23-V30 HydrophobicContact CB-CG2 3.52Å; M23-V30 HydrophobicContact CG-CG2 4.45Å; M23-V30 HydrophobicContact SD-CG2 4.2Å; M23-M73 HydrophobicContact CE-SD 4.06Å; M23-I157 HydrophobicContact CE-CG2 4.19Å; M23-I157 HydrophobicContact CG-CG2 4.21Å; M23-I157 HydrophobicContact SD-CG2 4.43Å; M23-V161 HydrophobicContact CB-CG1 4.22Å; M23-V161 HydrophobicContact CG-CG1 3.7Å
24	N	98.3	Very high	97.8	Very high	20 Å²	20	24.9 Å²	24.9	11%	0.107	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-44.7	176.3	170.7	85.7	0	0	0	112.3	I20 L21 N22 H26 G27 F28 T51 K52 V53	I20-N24 PolarHBondContact O-N 3.28Å; L21-N24 WeakPolarHBondContact O-CB 3.37Å; L21-N24 PolarHBondContact O-N 3.02Å; N22-N24 VanDerWaalsContact C-N 3.34Å; N22-N24 PolarHBondContact O-N 3.19Å; N24-H26 PolarHBondContact O-N 3.02Å; N24-G27 PolarHBondContact O-N 3.4Å; N24-F28 WeakPolarHBondContact CA-O 3.46Å; N24-T51 WeakPolarHBondContact OD1-CB 3.28Å; N24-K52 WeakPolarHBondContact OD1-CB 3.5Å; N24-K52 PolarHBondContact OD1-N 3.49Å; N24-V53 HydrophobicContact CB-CG2 4.02Å
25	D	98.3	Very high	97.9	Very high	89 Å²	89	30.3 Å²	30.3	48%	0.476	15%	0.152	S	C	.	.	H	α-helix	trans	-65.5	-27.6	-179.3	-69.4	-0.3	0	0	0	112.3	L21 N22 G27 R137	L21-D25 VanDerWaalsContact O-CG 3.25Å; L21-D25 PolarHBondContact O-N 3.05Å; N22-D25 PolarHBondContact O-N 3Å; D25-G27 PolarHBondContact O-N 3.24Å; D25-R137 IonicContact OD1-NH2 2.93Å; D25-R137 IonicContact OD2-CZ 3.56Å; D25-R137 IonicContact OD2-NH1 3.56Å; D25-R137 PolarHBondContact OD2-NH1 3.12Å; D25-R137 IonicContact OD2-NH2 3.9Å; D25-R137 PolarHBondContact OD2-NH2 3.4Å
26	H	98.4	Very high	98	Very high	75 Å²	75	30.9 Å²	30.9	35%	0.347	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	14	172.5	-67.1	84.4	0	0	0	113.3	N22 M23 N24 F28 S160 V161 K164	N22-H26 PolarHBondContact O-N 3.5Å; N22-H26 VanDerWaalsContact O-N 3.15Å; N22-H26 PolarHBondContact O-ND1 2.98Å; N22-H26 PolarHBondContact OD1-CE1 3.46Å; N22-H26 PolarHBondContact OD1-ND1 2.98Å; M23-H26 CarbonylContact O-C 3.58Å; M23-H26 PolarHBondContact O-N 2.8Å; N24-H26 PolarHBondContact O-N 3.02Å; H26-F28 HydrophobicContact CB-CD2 4.15Å; H26-F28 HydrophobicContact CB-CE2 4.06Å; H26-S160 PolarHBondContact CD2-O 3.26Å; H26-S160 PolarHBondContact NE2-O 2.92Å; H26-V161 HydrophobicContact CB-CG1 4.31Å; H26-K164 PolarHBondContact NE2-NZ 3.22Å
27	G	97.5	Very high	98	Very high	44 Å²	44	34.1 Å²	34.1	45%	0.454	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	4.8	168.4	0	0	0	0	0	115.8	M23 N24 D25	M23-G27 PolarHBondContact O-N 2.77Å; N24-G27 PolarHBondContact O-N 3.4Å; D25-G27 PolarHBondContact O-N 3.24Å
28	F	98.2	Very high	98	Very high	33 Å²	33	35 Å²	35	15%	0.145	19%	0.186	C	C	.	.			trans	-86.7	137.4	178.1	-57.9	-73.1	0	0	0	111.7	D6 M23 N24 H26 I157	D6-F28 HydrophobicContact CB-CB 4.24Å; D6-F28 HydrophobicContact CB-CD1 4.17Å; M23-F28 HydrophobicContact CB-CB 4.49Å; M23-F28 WeakPolarHBondContact O-CB 3.17Å; M23-F28 WeakPolarHBondContact O-CD2 3.31Å; M23-F28 PolarHBondContact O-N 3.34Å; M23-F28 VanDerWaalsContact O-N 3.09Å; N24-F28 WeakPolarHBondContact CA-O 3.46Å; H26-F28 HydrophobicContact CB-CD2 4.15Å; H26-F28 HydrophobicContact CB-CE2 4.06Å; F28-I157 HydrophobicContact CD1-CG1 3.94Å; F28-I157 HydrophobicContact CD2-CG2 4.22Å; F28-I157 HydrophobicContact CE1-CB 4.48Å; F28-I157 HydrophobicContact CE1-CG1 3.7Å; F28-I157 HydrophobicContact CE2-CB 4.42Å; F28-I157 HydrophobicContact CE2-CG1 4.48Å; F28-I157 HydrophobicContact CE2-CG2 4.3Å; F28-I157 HydrophobicContact CG-CG1 4.43Å; F28-I157 HydrophobicContact CG-CG2 4.48Å; F28-I157 HydrophobicContact CZ-CB 4.29Å; F28-I157 HydrophobicContact CZ-CG1 4Å
29	T	98.3	Very high	98	Very high	15 Å²	15	38.4 Å²	38.4	9%	0.092	20%	0.2	C	C	.	.			trans	-80.7	121.1	168.1	-64	0	0	0	0	108.7	A5 D6	A5-T29 CarbonylContact C-O 3.56Å; A5-T29 WeakPolarHBondContact CA-O 3.45Å; A5-T29 HydrophobicContact CB-CG2 4.08Å; D6-T29 PolarHBondContact N-O 3.33Å; D6-T29 PolarHBondContact OD2-N 3.42Å
30	V	98.5	Very high	98	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135	-177.5	-171.7	0	0	0	0	110.7	I7 V9 I20 M23 V53 V54	I7-V30 HydrophobicContact CG2-CB 4.48Å; I7-V30 HydrophobicContact CG2-CG1 4.14Å; I7-V30 HydrophobicContact CG2-CG2 4.02Å; I7-V30 CarbonylContact O-C 3.46Å; I7-V30 WeakPolarHBondContact O-CA 3.32Å; V9-V30 HydrophobicContact CB-CG1 4.42Å; V9-V30 HydrophobicContact CG2-CG1 3.83Å; I20-V30 HydrophobicContact CB-CG1 4.34Å; I20-V30 HydrophobicContact CG1-CG1 3.89Å; I20-V30 HydrophobicContact CG2-CB 3.99Å; I20-V30 HydrophobicContact CG2-CG1 3.91Å; I20-V30 HydrophobicContact CG2-CG2 4.45Å; M23-V30 HydrophobicContact CB-CG2 3.52Å; M23-V30 HydrophobicContact CG-CG2 4.45Å; M23-V30 HydrophobicContact SD-CG2 4.2Å; V30-V53 WeakPolarHBondContact O-CA 3.24Å; V30-V54 PolarHBondContact O-N 3.16Å
31	C	98.6	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112	170.1	-176.6	0	0	0	0	110.1	A5 I7 A8 V9 V54 V66	A5-C31 HydrophobicContact CB-CB 3.75Å; I7-C31 PolarHBondContact O-N 3.24Å; A8-C31 CarbonylContact C-O 3.48Å; A8-C31 WeakPolarHBondContact CA-O 3.33Å; A8-C31 HydrophobicContact CB-CB 4.08Å; V9-C31 PolarHBondContact N-O 2.98Å; C31-V54 CarbonylContact C-O 3.49Å; C31-V54 VanDerWaalsContact CA-O 3.32Å; C31-V54 WeakPolarHBondContact CA-O 3.29Å; C31-V54 HydrophobicContact CB-CG2 3.96Å; C31-V66 HydrophobicContact CB-CG2 4.37Å
32	A	98.6	Very high	98	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.4	176.9	0	0	0	0	0	110.7	L12 I20 F43 V53 V54 G55 A56	L12-A32 HydrophobicContact CD1-CB 4.41Å; L12-A32 HydrophobicContact CD2-CB 4.1Å; I20-A32 HydrophobicContact CD1-CB 4.1Å; A32-F43 HydrophobicContact CB-CD1 4.18Å; A32-F43 HydrophobicContact CB-CE1 4.23Å; A32-V53 HydrophobicContact CB-CG1 3.96Å; A32-V54 PolarHBondContact N-O 3Å; A32-G55 WeakPolarHBondContact O-CA 3.35Å; A32-A56 PolarHBondContact O-N 3.35Å; A32-A56 VanDerWaalsContact O-N 3.11Å
33	F	98.7	Very high	98	Very high	13 Å²	13	44 Å²	44	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.9	173.7	-178.2	-98.6	0	0	0	111.3	V9 I10 G11 L37 A56 L59 M62 F85	V9-F33 PolarHBondContact O-N 3Å; I10-F33 WeakPolarHBondContact CA-O 3.3Å; I10-F33 HydrophobicContact CB-CD1 4.44Å; I10-F33 HydrophobicContact CD1-CD1 4.27Å; I10-F33 HydrophobicContact CG1-CB 4.36Å; I10-F33 HydrophobicContact CG1-CD1 4.04Å; I10-F33 HydrophobicContact CG2-CD1 3.93Å; G11-F33 PolarHBondContact N-O 2.92Å; F33-L37 HydrophobicContact CE2-CD2 4.09Å; F33-A56 HydrophobicContact CD2-CB 4.19Å; F33-A56 WeakPolarHBondContact CD2-O 3.27Å; F33-L59 HydrophobicContact CD1-CD2 3.77Å; F33-L59 HydrophobicContact CE1-CD2 3.41Å; F33-L59 VanDerWaalsContact CE1-CD2 3.41Å; F33-L59 HydrophobicContact CE1-CG 3.92Å; F33-L59 HydrophobicContact CZ-CD2 3.94Å; F33-L59 HydrophobicContact CZ-CG 3.97Å; F33-M62 HydrophobicContact CB-CG 4.11Å; F33-M62 HydrophobicContact CB-SD 3.63Å; F33-M62 HydrophobicContact CD1-SD 4.35Å; F33-M62 HydrophobicContact CG-SD 4.05Å; F33-F85 AromaticContact CE1-CE1 3.94Å; F33-F85 HydrophobicContact CE1-CE1 3.94Å; F33-F85 HydrophobicContact CE1-CZ 4.4Å
34	N	98.2	Very high	97.9	Very high	20 Å²	20	46.2 Å²	46.2	11%	0.107	24%	0.241	C	C	.	.			trans	-152.2	149.1	174.4	-171	74.8	0	0	0	110.9	L12 T36 K39 V40	L12-N34 HydrophobicContact CB-CB 4.27Å; L12-N34 HydrophobicContact CD1-CB 3.91Å; L12-N34 HydrophobicContact CG-CB 3.95Å; L12-N34 PolarHBondContact N-OD1 2.94Å; N34-T36 VanDerWaalsContact C-N 3.29Å; N34-T36 PolarHBondContact ND2-N 3.16Å; N34-T36 PolarHBondContact ND2-O 3.03Å; N34-T36 PolarHBondContact O-N 2.88Å; N34-K39 HydrophobicContact CB-CB 4.36Å; N34-V40 HydrophobicContact CB-CG2 3.98Å
35	R	95	Very high	97.9	Very high	187 Å²	187	51.6 Å²	51.6	71%	0.706	26%	0.264	S	S	*	.	S	Bend	trans	-55	-43.9	177.7	-174.5	177.6	68.6	-178.3	2.6	112.8	F85	R35-F85 HydrophobicContact CB-CZ 4.15Å
36	T	96.6	Very high	97.9	Very high	68 Å²	68	52.1 Å²	52.1	42%	0.417	27%	0.267	S	S	.	.	S	Bend	trans	-88.2	107.3	172.1	-51.6	0	0	0	0	107.6	N34 S38 K39	N34-T36 VanDerWaalsContact C-N 3.29Å; N34-T36 PolarHBondContact ND2-N 3.16Å; N34-T36 PolarHBondContact ND2-O 3.03Å; N34-T36 PolarHBondContact O-N 2.88Å; T36-S38 VanDerWaalsContact C-N 3.31Å; T36-S38 WeakPolarHBondContact CG2-OG 3.24Å; T36-S38 PolarHBondContact O-N 3.17Å; T36-K39 WeakPolarHBondContact O-CB 3.29Å; T36-K39 PolarHBondContact O-N 2.87Å
37	L	97	Very high	97.9	Very high	68 Å²	68	53.5 Å²	53.5	36%	0.356	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.1	-172	-61.9	-175.8	0	0	0	113.4	F33 K39 V40 D41 H57	F33-L37 HydrophobicContact CE2-CD2 4.09Å; L37-K39 PolarHBondContact O-N 3.05Å; L37-K39 VanDerWaalsContact O-N 3.1Å; L37-V40 WeakPolarHBondContact O-CA 3.12Å; L37-V40 VanDerWaalsContact O-CB 3.29Å; L37-V40 WeakPolarHBondContact O-CB 3.21Å; L37-V40 PolarHBondContact O-N 3.26Å; L37-D41 PolarHBondContact O-N 2.8Å; L37-H57 HydrophobicContact CD1-CB 4.34Å; L37-H57 WeakPolarHBondContact CD1-O 3.43Å; L37-H57 WeakPolarHBondContact CD2-O 3.22Å
38	S	97.5	Very high	97.9	Very high	60 Å²	60	51.6 Å²	51.6	42%	0.42	25%	0.253	S	S	.	.	H	α-helix	trans	-56.2	-30.9	177.4	62.5	0	0	0	0	113	T36 V40 D41 D42	T36-S38 VanDerWaalsContact C-N 3.31Å; T36-S38 WeakPolarHBondContact CG2-OG 3.24Å; T36-S38 PolarHBondContact O-N 3.17Å; S38-V40 VanDerWaalsContact C-N 3.27Å; S38-V40 PolarHBondContact O-N 3.3Å; S38-D41 PolarHBondContact O-N 2.77Å; S38-D42 WeakPolarHBondContact O-CB 3.21Å; S38-D42 PolarHBondContact O-N 3.16Å
39	K	97.9	Very high	97.8	Very high	96 Å²	96	59.5 Å²	59.5	42%	0.417	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-29.1	175.2	-67.9	-161.1	174.8	-169.4	0	113.3	L12 N34 T36 L37 F43	L12-K39 HydrophobicContact CB-CB 4.5Å; L12-K39 HydrophobicContact CD1-CB 4.5Å; N34-K39 HydrophobicContact CB-CB 4.36Å; T36-K39 WeakPolarHBondContact O-CB 3.29Å; T36-K39 PolarHBondContact O-N 2.87Å; L37-K39 PolarHBondContact O-N 3.05Å; L37-K39 VanDerWaalsContact O-N 3.1Å; K39-F43 VanDerWaalsContact O-CB 3.26Å; K39-F43 WeakPolarHBondContact O-CB 3.49Å; K39-F43 PolarHBondContact O-N 3.46Å; K39-F43 VanDerWaalsContact O-N 3.15Å
40	V	98.4	Very high	97.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.6	-49.1	174.7	-177.6	0	0	0	0	108.8	L12 N34 L37 S38 D42 F43 L44	L12-V40 HydrophobicContact CD1-CB 4.29Å; L12-V40 HydrophobicContact CD1-CG2 3.88Å; N34-V40 HydrophobicContact CB-CG2 3.98Å; L37-V40 WeakPolarHBondContact O-CA 3.12Å; L37-V40 VanDerWaalsContact O-CB 3.29Å; L37-V40 WeakPolarHBondContact O-CB 3.21Å; L37-V40 PolarHBondContact O-N 3.26Å; S38-V40 VanDerWaalsContact C-N 3.27Å; S38-V40 PolarHBondContact O-N 3.3Å; V40-D42 PolarHBondContact O-N 3.03Å; V40-F43 PolarHBondContact O-N 3.23Å; V40-L44 HydrophobicContact CG1-CD1 4.06Å; V40-L44 VanDerWaalsContact O-CG 3.31Å; V40-L44 WeakPolarHBondContact O-CG 3.39Å; V40-L44 PolarHBondContact O-N 2.91Å
41	D	98	Very high	97.7	Very high	52 Å²	52	64.9 Å²	64.9	28%	0.278	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-43.9	179.9	-59.8	-41.3	0	0	0	111.9	L37 S38 L44 K45 H57	L37-D41 PolarHBondContact O-N 2.8Å; S38-D41 PolarHBondContact O-N 2.77Å; D41-L44 PolarHBondContact O-N 3.22Å; D41-K45 WeakPolarHBondContact O-CB 3.38Å; D41-K45 WeakPolarHBondContact O-CD 3.32Å; D41-K45 WeakPolarHBondContact O-CG 3.43Å; D41-K45 PolarHBondContact O-N 2.87Å; D41-H57 IonicContact OD1-CD2 3.42Å; D41-H57 IonicContact OD1-CE1 3.72Å; D41-H57 IonicContact OD1-NE2 3.32Å; D41-H57 PolarHBondContact OD1-NE2 3.42Å; D41-H57 IonicContact OD2-NE2 3.2Å
42	D	98.2	Very high	97.6	Very high	81 Å²	81	71.1 Å²	71.1	43%	0.433	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-45	179.2	-68.8	-20.5	0	0	0	111.2	S38 V40 K45 N46	S38-D42 WeakPolarHBondContact O-CB 3.21Å; S38-D42 PolarHBondContact O-N 3.16Å; V40-D42 PolarHBondContact O-N 3.03Å; D42-K45 PolarHBondContact O-N 2.87Å; D42-N46 WeakPolarHBondContact O-CB 3.32Å; D42-N46 PolarHBondContact O-N 3.44Å; D42-N46 PolarHBondContact O-ND2 3.45Å
43	F	98.5	Very high	97.6	Very high	2 Å²	2	71.7 Å²	71.7	1%	0.009	36%	0.363	C	S	.	.	H	α-helix	trans	-63.4	-43.5	178.4	176.7	-123.2	0	0	0	112.1	L12 Q17 I20 L21 A32 K39 V40 K45 N46 E47 A48 V53	L12-F43 HydrophobicContact CD1-CB 4.3Å; L12-F43 HydrophobicContact CD1-CD1 4.35Å; L12-F43 HydrophobicContact CD2-CD1 4.14Å; L12-F43 HydrophobicContact CD2-CE1 4.36Å; Q17-F43 HydrophobicContact CB-CD2 4.15Å; Q17-F43 HydrophobicContact CB-CE2 3.72Å; Q17-F43 HydrophobicContact CB-CZ 4.25Å; Q17-F43 HydrophobicContact CG-CD2 3.78Å; Q17-F43 HydrophobicContact CG-CE2 3.86Å; Q17-F43 HydrophobicContact CG-CG 4.33Å; Q17-F43 HydrophobicContact CG-CZ 4.46Å; I20-F43 HydrophobicContact CB-CE1 4.29Å; I20-F43 HydrophobicContact CB-CZ 4.12Å; I20-F43 HydrophobicContact CD1-CE1 3.96Å; I20-F43 HydrophobicContact CD1-CZ 4.39Å; I20-F43 HydrophobicContact CG2-CE1 3.81Å; I20-F43 HydrophobicContact CG2-CZ 3.89Å; L21-F43 HydrophobicContact CD1-CE2 4.41Å; L21-F43 HydrophobicContact CD2-CE2 4.28Å; L21-F43 HydrophobicContact CD2-CZ 4.09Å; L21-F43 HydrophobicContact CG-CE2 4.23Å; L21-F43 HydrophobicContact CG-CZ 4.13Å; A32-F43 HydrophobicContact CB-CD1 4.18Å; A32-F43 HydrophobicContact CB-CE1 4.23Å; K39-F43 VanDerWaalsContact O-CB 3.26Å; K39-F43 WeakPolarHBondContact O-CB 3.49Å; K39-F43 PolarHBondContact O-N 3.46Å; K39-F43 VanDerWaalsContact O-N 3.15Å; V40-F43 PolarHBondContact O-N 3.23Å; F43-K45 VanDerWaalsContact C-N 3.34Å; F43-K45 PolarHBondContact O-N 3.46Å; F43-N46 CarbonylContact O-C 3.51Å; F43-N46 PolarHBondContact O-N 3.32Å; F43-E47 HydrophobicContact CD2-CB 3.93Å; F43-E47 HydrophobicContact CE2-CB 3.84Å; F43-E47 PolarHBondContact O-N 3.39Å; F43-A48 HydrophobicContact CD1-CB 3.97Å; F43-A48 HydrophobicContact CD2-CB 4.26Å; F43-A48 HydrophobicContact CE1-CB 3.68Å; F43-A48 HydrophobicContact CE2-CB 3.97Å; F43-A48 HydrophobicContact CG-CB 4.26Å; F43-A48 HydrophobicContact CZ-CB 3.68Å; F43-A48 WeakPolarHBondContact O-CB 3.41Å; F43-A48 PolarHBondContact O-N 2.97Å; F43-V53 HydrophobicContact CE1-CG1 4.1Å
44	L	98.2	Very high	97.5	Very high	47 Å²	47	73.5 Å²	73.5	25%	0.246	38%	0.375	C	S	.	.	H	α-helix	trans	-67.9	-32.2	178.3	-68.7	175.3	0	0	0	113.3	V40 D41 A48 R49 V53	V40-L44 HydrophobicContact CG1-CD1 4.06Å; V40-L44 VanDerWaalsContact O-CG 3.31Å; V40-L44 WeakPolarHBondContact O-CG 3.39Å; V40-L44 PolarHBondContact O-N 2.91Å; D41-L44 PolarHBondContact O-N 3.22Å; L44-A48 HydrophobicContact CD2-CB 4.26Å; L44-R49 WeakPolarHBondContact O-CA 3.26Å; L44-R49 PolarHBondContact O-N 3.27Å; L44-V53 HydrophobicContact CD2-CB 4.35Å; L44-V53 HydrophobicContact CD2-CG1 3.97Å
45	K	97.9	Very high	97.5	Very high	133 Å²	133	73.3 Å²	73.3	58%	0.578	38%	0.377	S	S	*	.	H	α-helix	trans	-75.6	-27.9	177.3	-74.4	169.5	-172.9	170.1	0	112.8	D41 D42 F43 R49	D41-K45 WeakPolarHBondContact O-CB 3.38Å; D41-K45 WeakPolarHBondContact O-CD 3.32Å; D41-K45 WeakPolarHBondContact O-CG 3.43Å; D41-K45 PolarHBondContact O-N 2.87Å; D42-K45 PolarHBondContact O-N 2.87Å; F43-K45 VanDerWaalsContact C-N 3.34Å; F43-K45 PolarHBondContact O-N 3.46Å; K45-R49 WeakPolarHBondContact O-CD 3.3Å
46	N	98.1	Very high	97.6	Very high	101 Å²	101	64.4 Å²	64.4	54%	0.54	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-97.7	-174.4	-60.8	-56.9	0	0	0	111.2	D42 F43 A48 R49	D42-N46 WeakPolarHBondContact O-CB 3.32Å; D42-N46 PolarHBondContact O-N 3.44Å; D42-N46 PolarHBondContact O-ND2 3.45Å; F43-N46 CarbonylContact O-C 3.51Å; F43-N46 PolarHBondContact O-N 3.32Å; N46-A48 VanDerWaalsContact C-N 3.32Å; N46-A48 PolarHBondContact O-N 2.7Å; N46-R49 WeakPolarHBondContact O-CB 3.45Å; N46-R49 PolarHBondContact O-N 3.49Å
47	E	97.3	Very high	97.7	Very high	104 Å²	104	65.1 Å²	65.1	49%	0.486	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34	-166.7	-58.7	78.6	-172	0	0	113.1	L21 F43	L21-E47 HydrophobicContact CD1-CB 4.16Å; F43-E47 HydrophobicContact CD2-CB 3.93Å; F43-E47 HydrophobicContact CE2-CB 3.84Å; F43-E47 PolarHBondContact O-N 3.39Å
48	A	97.8	Very high	97.7	Very high	3 Å²	3	64.2 Å²	64.2	3%	0.025	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	6.9	176.9	0	0	0	0	0	113.7	L21 F43 L44 N46 G50 T51 V53	L21-A48 HydrophobicContact CD2-CB 4.3Å; F43-A48 HydrophobicContact CD1-CB 3.97Å; F43-A48 HydrophobicContact CD2-CB 4.26Å; F43-A48 HydrophobicContact CE1-CB 3.68Å; F43-A48 HydrophobicContact CE2-CB 3.97Å; F43-A48 HydrophobicContact CG-CB 4.26Å; F43-A48 HydrophobicContact CZ-CB 3.68Å; F43-A48 WeakPolarHBondContact O-CB 3.41Å; F43-A48 PolarHBondContact O-N 2.97Å; L44-A48 HydrophobicContact CD2-CB 4.26Å; N46-A48 VanDerWaalsContact C-N 3.32Å; N46-A48 PolarHBondContact O-N 2.7Å; A48-G50 PolarHBondContact O-N 3.07Å; A48-T51 WeakPolarHBondContact O-CB 3.3Å; A48-T51 WeakPolarHBondContact O-CG2 3.26Å; A48-T51 PolarHBondContact O-N 3.32Å; A48-T51 VanDerWaalsContact O-N 3.16Å; A48-T51 PolarHBondContact O-OG1 2.91Å; A48-V53 HydrophobicContact CB-CB 4.15Å; A48-V53 HydrophobicContact CB-CG1 4.41Å; A48-V53 HydrophobicContact CB-CG2 4.37Å
49	R	97.6	Very high	97.7	Very high	199 Å²	199	62.7 Å²	62.7	75%	0.751	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	130.5	178.4	-173.8	178.8	176.6	-178.9	-0.9	110.8	L44 K45 N46 T51	L44-R49 WeakPolarHBondContact O-CA 3.26Å; L44-R49 PolarHBondContact O-N 3.27Å; K45-R49 WeakPolarHBondContact O-CD 3.3Å; N46-R49 WeakPolarHBondContact O-CB 3.45Å; N46-R49 PolarHBondContact O-N 3.49Å; R49-T51 PolarHBondContact O-N 2.81Å
50	G	96.6	Very high	97.7	Very high	87 Å²	87	62.3 Å²	62.3	90%	0.897	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	5.7	-179.6	0	0	0	0	0	114.5	A48	A48-G50 PolarHBondContact O-N 3.07Å
51	T	97.5	Very high	97.7	Very high	42 Å²	42	65.8 Å²	65.8	26%	0.258	35%	0.345	S	S	.	.	S	Bend	trans	-90.2	179.1	173.5	73.9	0	0	0	0	111.4	L21 N24 A48 R49 V53	L21-T51 HydrophobicContact CD2-CG2 4.24Å; N24-T51 WeakPolarHBondContact OD1-CB 3.28Å; A48-T51 WeakPolarHBondContact O-CB 3.3Å; A48-T51 WeakPolarHBondContact O-CG2 3.26Å; A48-T51 PolarHBondContact O-N 3.32Å; A48-T51 VanDerWaalsContact O-N 3.16Å; A48-T51 PolarHBondContact O-OG1 2.91Å; R49-T51 PolarHBondContact O-N 2.81Å; T51-V53 VanDerWaalsContact C-N 3.29Å; T51-V53 WeakPolarHBondContact OG1-CB 3.5Å; T51-V53 VanDerWaalsContact OG1-CG2 3.27Å; T51-V53 WeakPolarHBondContact OG1-CG2 3.35Å; T51-V53 PolarHBondContact OG1-N 3.48Å
52	K	96.5	Very high	97.7	Very high	130 Å²	130	63.3 Å²	63.3	57%	0.565	33%	0.332	S	S	*	.	S	Bend	trans	-88.4	5.7	172	-59.2	178.1	-174.8	172	0	112.8	N24	N24-K52 WeakPolarHBondContact OD1-CB 3.5Å; N24-K52 PolarHBondContact OD1-N 3.49Å
53	V	97.9	Very high	97.7	Very high	13 Å²	13	59.5 Å²	59.5	8%	0.079	31%	0.311	C	S	.	.			trans	-69.2	135	-179.2	-178.7	0	0	0	0	109.4	I20 N24 V30 A32 F43 L44 A48 T51	I20-V53 HydrophobicContact CG2-CB 4.35Å; I20-V53 HydrophobicContact CG2-CG1 3.78Å; I20-V53 HydrophobicContact CG2-CG2 3.53Å; N24-V53 HydrophobicContact CB-CG2 4.02Å; V30-V53 WeakPolarHBondContact O-CA 3.24Å; A32-V53 HydrophobicContact CB-CG1 3.96Å; F43-V53 HydrophobicContact CE1-CG1 4.1Å; L44-V53 HydrophobicContact CD2-CB 4.35Å; L44-V53 HydrophobicContact CD2-CG1 3.97Å; A48-V53 HydrophobicContact CB-CB 4.15Å; A48-V53 HydrophobicContact CB-CG1 4.41Å; A48-V53 HydrophobicContact CB-CG2 4.37Å; T51-V53 VanDerWaalsContact C-N 3.29Å; T51-V53 WeakPolarHBondContact OG1-CB 3.5Å; T51-V53 VanDerWaalsContact OG1-CG2 3.27Å; T51-V53 WeakPolarHBondContact OG1-CG2 3.35Å; T51-V53 PolarHBondContact OG1-N 3.48Å
54	V	97.5	Very high	97.6	Very high	51 Å²	51	63.5 Å²	63.5	31%	0.309	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.5	174.7	-61.2	0	0	0	0	109.8	V30 C31 A32 L65	V30-V54 PolarHBondContact O-N 3.16Å; C31-V54 CarbonylContact C-O 3.49Å; C31-V54 VanDerWaalsContact CA-O 3.32Å; C31-V54 WeakPolarHBondContact CA-O 3.29Å; C31-V54 HydrophobicContact CB-CG2 3.96Å; A32-V54 PolarHBondContact N-O 3Å; V54-L65 HydrophobicContact CG2-CD1 4.5Å
55	G	97.4	Very high	97.6	Very high	15 Å²	15	63.5 Å²	63.5	16%	0.155	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	156.3	172.6	0	0	0	0	0	112	A32	A32-G55 WeakPolarHBondContact O-CA 3.35Å
56	A	97.9	Very high	97.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.305	C	S	.	.			trans	-123.9	145.8	162.7	0	0	0	0	0	110	A32 F33 E61 M62 L65	A32-A56 PolarHBondContact O-N 3.35Å; A32-A56 VanDerWaalsContact O-N 3.11Å; F33-A56 HydrophobicContact CD2-CB 4.19Å; F33-A56 WeakPolarHBondContact CD2-O 3.27Å; A56-E61 HydrophobicContact CB-CB 4.28Å; A56-E61 HydrophobicContact CB-CG 4.08Å; A56-M62 HydrophobicContact CB-CB 3.61Å; A56-M62 HydrophobicContact CB-CG 4.32Å; A56-L65 HydrophobicContact CB-CD1 4.26Å
57	H	97.7	Very high	97.6	Very high	83 Å²	83	56.2 Å²	56.2	38%	0.384	30%	0.296	S	S	.	.	S	Bend	trans	-105.8	1.1	178.3	-64.1	86.4	0	0	0	112.7	L37 D41 E61	L37-H57 HydrophobicContact CD1-CB 4.34Å; L37-H57 WeakPolarHBondContact CD1-O 3.43Å; L37-H57 WeakPolarHBondContact CD2-O 3.22Å; D41-H57 IonicContact OD1-CD2 3.42Å; D41-H57 IonicContact OD1-CE1 3.72Å; D41-H57 IonicContact OD1-NE2 3.32Å; D41-H57 PolarHBondContact OD1-NE2 3.42Å; D41-H57 IonicContact OD2-NE2 3.2Å; H57-E61 PolarHBondContact N-OE2 3.05Å
58	S	98	Very high	97.6	Very high	50 Å²	50	55.6 Å²	55.6	35%	0.35	30%	0.296	S	S	.	.	S	Bend	trans	-147.3	158.6	167.8	68.7	0	0	0	0	111.8	Q60 E61 M62	S58-Q60 VanDerWaalsContact C-N 3.28Å; S58-Q60 PolarHBondContact O-N 2.9Å; S58-E61 PolarHBondContact N-OE2 3.37Å; S58-E61 PolarHBondContact O-N 2.9Å; S58-E61 WeakPolarHBondContact OG-CB 3.44Å; S58-E61 PolarHBondContact OG-N 2.84Å; S58-E61 VanDerWaalsContact OG-N 3.08Å; S58-M62 PolarHBondContact O-N 2.94Å
59	L	98	Very high	97.6	Very high	28 Å²	28	57.1 Å²	57.1	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-37.9	173.9	-73.9	174.9	0	0	0	111.8	I10 F33 M62 V63 F85 K88 L89 L92	I10-L59 HydrophobicContact CD1-CD2 3.91Å; F33-L59 HydrophobicContact CD1-CD2 3.77Å; F33-L59 HydrophobicContact CE1-CD2 3.41Å; F33-L59 VanDerWaalsContact CE1-CD2 3.41Å; F33-L59 HydrophobicContact CE1-CG 3.92Å; F33-L59 HydrophobicContact CZ-CD2 3.94Å; F33-L59 HydrophobicContact CZ-CG 3.97Å; L59-M62 HydrophobicContact CD2-CE 4.23Å; L59-M62 PolarHBondContact O-N 3.08Å; L59-V63 WeakPolarHBondContact O-CB 3.44Å; L59-V63 VanDerWaalsContact O-CG2 3.26Å; L59-V63 WeakPolarHBondContact O-CG2 3.39Å; L59-V63 PolarHBondContact O-N 3.34Å; L59-F85 HydrophobicContact CD1-CD1 4.49Å; L59-F85 HydrophobicContact CD2-CD1 4.31Å; L59-F85 HydrophobicContact CD2-CE1 4.18Å; L59-K88 HydrophobicContact CD1-CB 3.59Å; L59-K88 HydrophobicContact CD1-CD 4.24Å; L59-K88 HydrophobicContact CD1-CG 4.49Å; L59-L89 HydrophobicContact CD2-CD2 4.09Å; L59-L92 HydrophobicContact CB-CD1 3.86Å
60	Q	97.5	Very high	97.6	Very high	88 Å²	88	49 Å²	49	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-44	177.9	-177.1	63.4	75.8	0	0	111.8	S58 V63 N64	S58-Q60 VanDerWaalsContact C-N 3.28Å; S58-Q60 PolarHBondContact O-N 2.9Å; Q60-V63 PolarHBondContact O-N 3.09Å; Q60-N64 PolarHBondContact NE2-OD1 2.84Å; Q60-N64 WeakPolarHBondContact O-CB 3.02Å; Q60-N64 PolarHBondContact O-N 3.39Å; Q60-N64 PolarHBondContact O-ND2 2.83Å
61	E	97.5	Very high	97.7	Very high	73 Å²	73	45.8 Å²	45.8	34%	0.341	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-47.8	175	-179.7	-177.4	-169.5	0	0	111.2	A56 H57 S58 V63 N64 L65	A56-E61 HydrophobicContact CB-CB 4.28Å; A56-E61 HydrophobicContact CB-CG 4.08Å; H57-E61 PolarHBondContact N-OE2 3.05Å; S58-E61 PolarHBondContact N-OE2 3.37Å; S58-E61 PolarHBondContact O-N 2.9Å; S58-E61 WeakPolarHBondContact OG-CB 3.44Å; S58-E61 PolarHBondContact OG-N 2.84Å; S58-E61 VanDerWaalsContact OG-N 3.08Å; E61-V63 PolarHBondContact O-N 2.91Å; E61-N64 WeakPolarHBondContact O-CB 3.37Å; E61-N64 PolarHBondContact O-N 3.27Å; E61-N64 VanDerWaalsContact O-N 3.09Å; E61-L65 HydrophobicContact CG-CD1 4.01Å; E61-L65 HydrophobicContact CG-CG 4.49Å; E61-L65 WeakPolarHBondContact O-CG 3.31Å; E61-L65 PolarHBondContact O-N 3.14Å
62	M	98.1	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.4	-49.9	177.1	-173.4	-157.4	68.6	0	0	111.2	A8 I10 F33 A56 S58 L59 N64 L65 V66 I72 L89	A8-M62 HydrophobicContact CB-CE 4.28Å; A8-M62 HydrophobicContact CB-CG 3.69Å; A8-M62 HydrophobicContact CB-SD 3.65Å; I10-M62 HydrophobicContact CD1-CE 3.93Å; I10-M62 HydrophobicContact CD1-SD 3.87Å; I10-M62 HydrophobicContact CG1-CE 4.35Å; I10-M62 HydrophobicContact CG1-SD 3.66Å; F33-M62 HydrophobicContact CB-CG 4.11Å; F33-M62 HydrophobicContact CB-SD 3.63Å; F33-M62 HydrophobicContact CD1-SD 4.35Å; F33-M62 HydrophobicContact CG-SD 4.05Å; A56-M62 HydrophobicContact CB-CB 3.61Å; A56-M62 HydrophobicContact CB-CG 4.32Å; S58-M62 PolarHBondContact O-N 2.94Å; L59-M62 HydrophobicContact CD2-CE 4.23Å; L59-M62 PolarHBondContact O-N 3.08Å; M62-N64 VanDerWaalsContact C-N 3.26Å; M62-N64 PolarHBondContact O-N 2.99Å; M62-L65 PolarHBondContact O-N 3.23Å; M62-L65 VanDerWaalsContact O-N 3.14Å; M62-V66 WeakPolarHBondContact O-CG2 3.4Å; M62-V66 PolarHBondContact O-N 3.3Å; M62-I72 HydrophobicContact CE-CD1 3.78Å; M62-I72 HydrophobicContact CE-CG1 4.28Å; M62-I72 HydrophobicContact CE-CG2 3.96Å; M62-L89 HydrophobicContact CE-CD2 3.78Å
63	V	97.8	Very high	97.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-34.7	178.4	165.2	0	0	0	0	112	L59 Q60 E61 R70 I72 L89 L92 L93	L59-V63 WeakPolarHBondContact O-CB 3.44Å; L59-V63 VanDerWaalsContact O-CG2 3.26Å; L59-V63 WeakPolarHBondContact O-CG2 3.39Å; L59-V63 PolarHBondContact O-N 3.34Å; Q60-V63 PolarHBondContact O-N 3.09Å; E61-V63 PolarHBondContact O-N 2.91Å; V63-R70 VanDerWaalsContact CG1-NE 3.26Å; V63-R70 PolarHBondContact O-NE 3.47Å; V63-I72 HydrophobicContact CG2-CD1 4.21Å; V63-L89 HydrophobicContact CG2-CD2 4.22Å; V63-L92 HydrophobicContact CG1-CB 4.16Å; V63-L92 VanDerWaalsContact CG1-O 3.31Å; V63-L92 WeakPolarHBondContact CG1-O 3.47Å; V63-L92 HydrophobicContact CG2-CB 4.06Å; V63-L92 HydrophobicContact CG2-CD1 4.31Å; V63-L93 HydrophobicContact CG2-CD2 4.27Å
64	N	97	Very high	97.9	Very high	86 Å²	86	37 Å²	37	46%	0.46	19%	0.193	S	C	.	.	H	α-helix	trans	-74.7	-29.3	178.1	-70.9	-16.2	0	0	0	113	Q60 E61 M62	Q60-N64 PolarHBondContact NE2-OD1 2.84Å; Q60-N64 WeakPolarHBondContact O-CB 3.02Å; Q60-N64 PolarHBondContact O-N 3.39Å; Q60-N64 PolarHBondContact O-ND2 2.83Å; E61-N64 WeakPolarHBondContact O-CB 3.37Å; E61-N64 PolarHBondContact O-N 3.27Å; E61-N64 VanDerWaalsContact O-N 3.09Å; M62-N64 VanDerWaalsContact C-N 3.26Å; M62-N64 PolarHBondContact O-N 2.99Å
65	L	97.4	Very high	97.9	Very high	46 Å²	46	35.5 Å²	35.5	24%	0.241	18%	0.183	C	C	.	.	H	α-helix	trans	-76.8	-21.3	179.1	-72	171.7	0	0	0	113.2	K4 A5 V54 A56 E61 M62	K4-L65 CarbonylContact C-O 3.26Å; K4-L65 WeakPolarHBondContact CA-O 3.46Å; K4-L65 VanDerWaalsContact CB-O 3.29Å; K4-L65 WeakPolarHBondContact CB-O 3.5Å; A5-L65 PolarHBondContact N-O 2.72Å; V54-L65 HydrophobicContact CG2-CD1 4.5Å; A56-L65 HydrophobicContact CB-CD1 4.26Å; E61-L65 HydrophobicContact CG-CD1 4.01Å; E61-L65 HydrophobicContact CG-CG 4.49Å; E61-L65 WeakPolarHBondContact O-CG 3.31Å; E61-L65 PolarHBondContact O-N 3.14Å; M62-L65 PolarHBondContact O-N 3.23Å; M62-L65 VanDerWaalsContact O-N 3.14Å
66	V	98.1	Very high	97.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-88	139.7	-175.7	-178.1	0	0	0	0	112.2	A5 A8 C31 M62 R70	A5-V66 HydrophobicContact CB-CG2 4.48Å; A5-V66 WeakPolarHBondContact O-CA 3.48Å; A8-V66 HydrophobicContact CB-CG2 3.55Å; C31-V66 HydrophobicContact CB-CG2 4.37Å; M62-V66 WeakPolarHBondContact O-CG2 3.4Å; M62-V66 PolarHBondContact O-N 3.3Å; V66-R70 HydrophobicContact CB-CG 4.5Å; V66-R70 HydrophobicContact CG1-CB 4.15Å; V66-R70 HydrophobicContact CG1-CG 4.43Å
67	K	97.8	Very high	97.7	Very high	80 Å²	80	44.5 Å²	44.5	35%	0.348	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-65.7	144.2	174.5	-65.2	174.7	-164.9	175.6	0	111.5	K4 A5 D6 P69 R70 R71	K4-K67 HydrophobicContact CB-CG 3.55Å; K4-K67 WeakPolarHBondContact O-CE 3.47Å; A5-K67 WeakPolarHBondContact O-CG 3.38Å; A5-K67 PolarHBondContact O-N 2.92Å; D6-K67 WeakPolarHBondContact OD1-CE 3.45Å; D6-K67 IonicContact OD1-NZ 3.08Å; D6-K67 PolarHBondContact OD1-NZ 3.44Å; D6-K67 IonicContact OD2-NZ 3.56Å; K67-P69 CarbonylContact O-C 3.55Å; K67-P69 VanDerWaalsContact O-C 3.26Å; K67-R70 WeakPolarHBondContact O-CA 3.22Å; K67-R70 PolarHBondContact O-N 3.33Å; K67-R71 PolarHBondContact O-NH2 3.43Å
68	L	97.4	Very high	97.5	Very high	92 Å²	92	42.2 Å²	42.2	48%	0.482	22%	0.215	S	C	.	.	S	Bend	trans	-72.9	150.8	171.1	-64.6	178.2	0	0	0	112.1	R70 Q94	L68-R70 HydrophobicContact CD2-CG 3.97Å; L68-R70 VanDerWaalsContact CD2-NH1 3.35Å; L68-Q94 HydrophobicContact CD2-CG 4.41Å
69	P	97.9	Very high	97.3	Very high	34 Å²	34	40.9 Å²	40.9	22%	0.221	21%	0.209	C	C	.	.	S	Bend	cis	-58	140	-22.7	27.1	-33.2	0	0	0	109.1	K67 R71 G96 I98 H153	K67-P69 CarbonylContact O-C 3.55Å; K67-P69 VanDerWaalsContact O-C 3.26Å; P69-R71 PolarHBondContact O-N 2.9Å; P69-R71 PolarHBondContact O-NH1 3.18Å; P69-R71 PolarHBondContact O-NH2 3Å; P69-G96 VanDerWaalsContact CB-O 3.28Å; P69-G96 WeakPolarHBondContact CB-O 3.2Å; P69-I98 HydrophobicContact CG-CD1 4.48Å; P69-H153 HydrophobicContact CG-CB 4.38Å
70	R	98.6	Very high	97.2	Very high	29 Å²	29	45.8 Å²	45.8	11%	0.109	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-65.5	135.8	-174.7	-60	-178.5	179.4	84.7	-5.6	109.6	V63 V66 K67 L68 I72 L93 D97 I98	V63-R70 VanDerWaalsContact CG1-NE 3.26Å; V63-R70 PolarHBondContact O-NE 3.47Å; V66-R70 HydrophobicContact CB-CG 4.5Å; V66-R70 HydrophobicContact CG1-CB 4.15Å; V66-R70 HydrophobicContact CG1-CG 4.43Å; K67-R70 WeakPolarHBondContact O-CA 3.22Å; K67-R70 PolarHBondContact O-N 3.33Å; L68-R70 HydrophobicContact CD2-CG 3.97Å; L68-R70 VanDerWaalsContact CD2-NH1 3.35Å; R70-I72 HydrophobicContact CB-CG1 4.49Å; R70-L93 HydrophobicContact CB-CD2 4.42Å; R70-D97 HydrophobicContact CB-CB 4.12Å; R70-D97 WeakPolarHBondContact CD-OD2 3.48Å; R70-D97 IonicContact CZ-OD2 3.34Å; R70-D97 PolarHBondContact N-OD1 3Å; R70-D97 IonicContact NE-OD2 3.84Å; R70-D97 IonicContact NH1-OD1 3.49Å; R70-D97 IonicContact NH1-OD2 3.93Å; R70-D97 PolarHBondContact NH1-OD2 2.84Å; R70-I98 WeakPolarHBondContact O-CA 3.26Å; R70-I98 WeakPolarHBondContact O-CB 3.41Å; R70-I98 PolarHBondContact O-N 3.11Å
71	R	98.8	Very high	97.2	Very high	20 Å²	20	42.9 Å²	42.9	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.9	173.8	-67.6	160.3	-66.8	-68.8	-26.2	107.4	D6 I7 A8 K67 P69 I98 H153 I154	D6-R71 PolarHBondContact O-NE 3.39Å; D6-R71 PolarHBondContact O-NH2 3.45Å; I7-R71 WeakPolarHBondContact CA-O 3.34Å; I7-R71 HydrophobicContact CB-CB 4.3Å; I7-R71 HydrophobicContact CD1-CB 4.34Å; I7-R71 HydrophobicContact CG1-CB 3.95Å; I7-R71 WeakPolarHBondContact CG1-O 3.06Å; A8-R71 PolarHBondContact N-O 2.67Å; K67-R71 PolarHBondContact O-NH2 3.43Å; P69-R71 PolarHBondContact O-N 2.9Å; P69-R71 PolarHBondContact O-NH1 3.18Å; P69-R71 PolarHBondContact O-NH2 3Å; R71-I98 HydrophobicContact CG-CD1 4.09Å; R71-H153 VanDerWaalsContact CD-O 3.23Å; R71-H153 WeakPolarHBondContact CD-O 3.11Å; R71-I154 HydrophobicContact CG-CG2 4.08Å
72	I	98.8	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	114.4	-177	-55.3	177	0	0	0	108.5	A8 I10 M62 V63 R70 L74 L89 L93 I98 I99 I100	A8-I72 HydrophobicContact CB-CG1 4.4Å; A8-I72 HydrophobicContact CB-CG2 4.49Å; A8-I72 WeakPolarHBondContact O-CA 3.45Å; I10-I72 HydrophobicContact CD1-CG2 3.82Å; I10-I72 HydrophobicContact CG1-CG2 4.06Å; M62-I72 HydrophobicContact CE-CD1 3.78Å; M62-I72 HydrophobicContact CE-CG1 4.28Å; M62-I72 HydrophobicContact CE-CG2 3.96Å; V63-I72 HydrophobicContact CG2-CD1 4.21Å; R70-I72 HydrophobicContact CB-CG1 4.49Å; I72-L74 HydrophobicContact CG2-CD2 4.35Å; I72-L89 HydrophobicContact CD1-CD2 3.88Å; I72-L89 HydrophobicContact CG2-CD1 4.05Å; I72-L93 HydrophobicContact CD1-CD2 3.65Å; I72-I98 PolarHBondContact N-O 3.24Å; I72-I99 CarbonylContact O-C 3.3Å; I72-I99 WeakPolarHBondContact O-CA 3.33Å; I72-I100 PolarHBondContact O-N 3.22Å
73	M	98.8	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.4	178.4	-170.7	168.8	-169.8	0	0	111.3	I7 A8 V9 I10 L19 M23 M75 I100 V129	I7-M73 HydrophobicContact CD1-CB 4.33Å; A8-M73 PolarHBondContact O-N 3Å; V9-M73 CarbonylContact C-O 3.44Å; V9-M73 WeakPolarHBondContact CA-O 3.44Å; V9-M73 HydrophobicContact CG2-CB 4.33Å; I10-M73 PolarHBondContact N-O 2.92Å; L19-M73 HydrophobicContact CD2-CE 3.62Å; L19-M73 HydrophobicContact CD2-SD 3.59Å; L19-M73 VanDerWaalsContact CD2-SD 3.59Å; M23-M73 HydrophobicContact CE-SD 4.06Å; M73-M75 HydrophobicContact CE-SD 3.71Å; M73-M75 HydrophobicContact CG-CG 4.31Å; M73-M75 HydrophobicContact CG-SD 4.41Å; M73-M75 HydrophobicContact SD-SD 4.48Å; M73-I100 CarbonylContact C-O 3.59Å; M73-I100 VanDerWaalsContact CA-O 3.24Å; M73-I100 WeakPolarHBondContact CA-O 3.38Å; M73-I100 HydrophobicContact CB-CB 4.26Å; M73-I100 HydrophobicContact CE-CG2 4.47Å; M73-I100 HydrophobicContact CG-CB 4.2Å; M73-I100 HydrophobicContact CG-CG2 4.22Å; M73-V129 HydrophobicContact CE-CG2 3.84Å
74	L	98.8	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116	176.2	-51.6	-178.3	0	0	0	108.8	I10 I72 V76 V82 F85 I86 L89 I99 I100 G102	I10-L74 HydrophobicContact CB-CD2 3.9Å; I10-L74 HydrophobicContact CD1-CD2 3.67Å; I10-L74 HydrophobicContact CG1-CD2 4.07Å; I10-L74 HydrophobicContact CG2-CD2 4.47Å; I72-L74 HydrophobicContact CG2-CD2 4.35Å; L74-V76 HydrophobicContact CB-CG2 4.38Å; L74-V82 HydrophobicContact CD1-CG1 3.97Å; L74-F85 HydrophobicContact CD1-CB 4.39Å; L74-F85 HydrophobicContact CD2-CB 4.3Å; L74-I86 HydrophobicContact CD1-CG1 4.16Å; L74-L89 HydrophobicContact CD2-CD1 4.07Å; L74-I99 HydrophobicContact CD1-CG2 3.88Å; L74-I99 HydrophobicContact CG-CG2 4.17Å; L74-I100 PolarHBondContact N-O 2.76Å; L74-G102 PolarHBondContact O-N 2.95Å
75	M	97.9	Very high	97.4	Very high	20 Å²	20	41.6 Å²	41.6	10%	0.099	22%	0.221	C	C	.	.			trans	-114.8	50.7	173.8	-67.3	-58	-68.6	0	0	109.8	V9 I10 M15 L19 M73	V9-M75 HydrophobicContact CG1-CB 4.37Å; V9-M75 HydrophobicContact CG1-CG 3.98Å; I10-M75 PolarHBondContact O-N 2.92Å; M15-M75 HydrophobicContact CB-CE 3.73Å; L19-M75 HydrophobicContact CD2-SD 4.41Å; M73-M75 HydrophobicContact CE-SD 3.71Å; M73-M75 HydrophobicContact CG-CG 4.31Å; M73-M75 HydrophobicContact CG-SD 4.41Å; M73-M75 HydrophobicContact SD-SD 4.48Å
76	V	96.1	Very high	97.4	Very high	28 Å²	28	39.9 Å²	39.9	17%	0.17	21%	0.212	C	C	.	.	S	Bend	trans	-108.5	174.8	-175.9	-58.7	0	0	0	0	111.4	I10 L74 A78 V82 F85	I10-V76 HydrophobicContact CG2-CG1 4.13Å; L74-V76 HydrophobicContact CB-CG2 4.38Å; V76-A78 PolarHBondContact O-N 2.96Å; V76-V82 HydrophobicContact CG2-CG2 3.75Å; V76-F85 HydrophobicContact CG1-CD2 4.02Å; V76-F85 HydrophobicContact CG1-CE2 3.84Å; V76-F85 HydrophobicContact CG2-CD2 4.35Å
77	K	93.5	Very high	97.5	Very high	175 Å²	175	45.1 Å²	45.1	76%	0.761	24%	0.24	S	C	*	.			trans	-61.8	132.7	174.8	-172.6	-175.9	175	-172.4	0	109.2	A81	K77-A81 HydrophobicContact CB-CB 4.47Å
78	A	93.4	Very high	97.5	Very high	35 Å²	35	46.8 Å²	46.8	29%	0.289	25%	0.248	S	C	.	.	S	Bend	trans	-61	156.7	174	0	0	0	0	0	112.1	V76 N104	V76-A78 PolarHBondContact O-N 2.96Å; A78-N104 WeakPolarHBondContact CB-O 3.21Å
79	G	94.5	Very high	97.5	Very high	22 Å²	22	42.4 Å²	42.4	23%	0.227	23%	0.225	C	C	.	.	S	Bend	trans	91.3	-145.7	-174.2	0	0	0	0	0	112.2	A81 V82 R113	G79-A81 PolarHBondContact O-N 2.77Å; G79-V82 WeakPolarHBondContact O-CB 3.41Å; G79-V82 PolarHBondContact O-N 3.43Å; G79-R113 PolarHBondContact O-NH2 3.47Å
80	D	96.6	Very high	97.6	Very high	131 Å²	131	42 Å²	42	70%	0.701	22%	0.221	S	C	*	.	H	α-helix	trans	-49.8	-35.3	-171.5	-52.9	-19.8	0	0	0	114.3	V82 D83 D84	D80-V82 PolarHBondContact O-N 3.3Å; D80-D83 PolarHBondContact O-N 3.06Å; D80-D83 VanDerWaalsContact O-N 3.11Å; D80-D84 WeakPolarHBondContact O-CB 3.28Å; D80-D84 PolarHBondContact O-N 3.35Å
81	A	97.1	Very high	97.6	Very high	28 Å²	28	45.5 Å²	45.5	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-27.8	-179.5	0	0	0	0	0	113.2	K77 G79 F85	K77-A81 HydrophobicContact CB-CB 4.47Å; G79-A81 PolarHBondContact O-N 2.77Å; A81-F85 VanDerWaalsContact O-CD2 3.28Å; A81-F85 WeakPolarHBondContact O-CD2 3.44Å
82	V	98.3	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-71.8	-46.2	172.8	177	0	0	0	0	109.9	L74 V76 G79 D80 F85 I86	L74-V82 HydrophobicContact CD1-CG1 3.97Å; V76-V82 HydrophobicContact CG2-CG2 3.75Å; G79-V82 WeakPolarHBondContact O-CB 3.41Å; G79-V82 PolarHBondContact O-N 3.43Å; D80-V82 PolarHBondContact O-N 3.3Å; V82-F85 PolarHBondContact O-N 2.74Å; V82-I86 HydrophobicContact CG1-CD1 3.84Å; V82-I86 HydrophobicContact CG1-CG1 4.45Å; V82-I86 WeakPolarHBondContact O-CG1 3.3Å; V82-I86 PolarHBondContact O-N 3.02Å
83	D	98.6	Very high	97.5	Very high	29 Å²	29	47.8 Å²	47.8	16%	0.155	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-44.3	-179.8	-68.5	-54.8	0	0	0	111.9	D80 F85 I86 D87 R112 R113	D80-D83 PolarHBondContact O-N 3.06Å; D80-D83 VanDerWaalsContact O-N 3.11Å; D83-F85 PolarHBondContact O-N 2.93Å; D83-F85 VanDerWaalsContact O-N 3.16Å; D83-I86 PolarHBondContact O-N 3.01Å; D83-D87 PolarHBondContact O-N 2.99Å; D83-R112 IonicContact OD1-CZ 3.81Å; D83-R112 IonicContact OD1-NH1 3.22Å; D83-R112 IonicContact OD1-NH2 2.77Å; D83-R112 PolarHBondContact OD1-NH2 2.79Å; D83-R112 IonicContact OD2-NH2 2.72Å; D83-R112 PolarHBondContact OD2-NH2 3.31Å; D83-R112 VanDerWaalsContact OD2-NH2 3.08Å; D83-R113 IonicContact OD1-CZ 3.28Å; D83-R113 IonicContact OD1-NE 2.9Å; D83-R113 PolarHBondContact OD1-NE 2.93Å; D83-R113 IonicContact OD1-NH2 2.73Å; D83-R113 IonicContact OD2-CZ 3.46Å; D83-R113 IonicContact OD2-NE 2.74Å; D83-R113 IonicContact OD2-NH2 3.55Å; D83-R113 PolarHBondContact OD2-NH2 3.03Å
84	D	98.3	Very high	97.5	Very high	81 Å²	81	52.1 Å²	52.1	43%	0.433	28%	0.281	S	S	.	.	H	α-helix	trans	-53.6	-37.1	174.2	-80.7	-12.7	0	0	0	112.9	D80 K88	D80-D84 WeakPolarHBondContact O-CB 3.28Å; D80-D84 PolarHBondContact O-N 3.35Å; D84-K88 WeakPolarHBondContact O-CD 3.25Å; D84-K88 VanDerWaalsContact O-CG 3.3Å; D84-K88 WeakPolarHBondContact O-CG 3.4Å; D84-K88 PolarHBondContact O-N 2.86Å
85	F	98.3	Very high	97.5	Very high	22 Å²	22	55.5 Å²	55.5	10%	0.096	31%	0.309	C	S	.	.	H	α-helix	trans	-77.1	-41.1	177.4	-92.3	-61.1	0	0	0	111.8	I10 F33 R35 L59 L74 V76 A81 V82 D83 D87 K88 L89	I10-F85 HydrophobicContact CD1-CD1 4.11Å; I10-F85 HydrophobicContact CD1-CE1 4.39Å; I10-F85 HydrophobicContact CG2-CD1 4.02Å; I10-F85 HydrophobicContact CG2-CD2 4.14Å; I10-F85 HydrophobicContact CG2-CE1 3.64Å; I10-F85 HydrophobicContact CG2-CE2 3.76Å; I10-F85 HydrophobicContact CG2-CG 4.27Å; I10-F85 HydrophobicContact CG2-CZ 3.48Å; I10-F85 VanDerWaalsContact CG2-CZ 3.48Å; F33-F85 AromaticContact CE1-CE1 3.94Å; F33-F85 HydrophobicContact CE1-CE1 3.94Å; F33-F85 HydrophobicContact CE1-CZ 4.4Å; R35-F85 HydrophobicContact CB-CZ 4.15Å; L59-F85 HydrophobicContact CD1-CD1 4.49Å; L59-F85 HydrophobicContact CD2-CD1 4.31Å; L59-F85 HydrophobicContact CD2-CE1 4.18Å; L74-F85 HydrophobicContact CD1-CB 4.39Å; L74-F85 HydrophobicContact CD2-CB 4.3Å; V76-F85 HydrophobicContact CG1-CD2 4.02Å; V76-F85 HydrophobicContact CG1-CE2 3.84Å; V76-F85 HydrophobicContact CG2-CD2 4.35Å; A81-F85 VanDerWaalsContact O-CD2 3.28Å; A81-F85 WeakPolarHBondContact O-CD2 3.44Å; V82-F85 PolarHBondContact O-N 2.74Å; D83-F85 PolarHBondContact O-N 2.93Å; D83-F85 VanDerWaalsContact O-N 3.16Å; F85-D87 VanDerWaalsContact C-N 3.33Å; F85-D87 PolarHBondContact O-N 2.69Å; F85-K88 PolarHBondContact O-N 2.84Å; F85-L89 WeakPolarHBondContact O-CB 3.42Å; F85-L89 WeakPolarHBondContact O-CG 3.28Å; F85-L89 PolarHBondContact O-N 3.1Å
86	I	98.7	Very high	97.5	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.051	32%	0.316	C	S	.	.	H	α-helix	trans	-58.3	-48.3	175.8	-69.5	170.1	0	0	0	109.8	L74 V82 D83 K88 L89 V90 I99 R113 L117 Y124	L74-I86 HydrophobicContact CD1-CG1 4.16Å; V82-I86 HydrophobicContact CG1-CD1 3.84Å; V82-I86 HydrophobicContact CG1-CG1 4.45Å; V82-I86 WeakPolarHBondContact O-CG1 3.3Å; V82-I86 PolarHBondContact O-N 3.02Å; D83-I86 PolarHBondContact O-N 3.01Å; I86-K88 VanDerWaalsContact C-N 3.26Å; I86-K88 PolarHBondContact O-N 3.1Å; I86-L89 PolarHBondContact O-N 3.07Å; I86-V90 HydrophobicContact CG2-CG2 3.98Å; I86-V90 VanDerWaalsContact O-CG2 3.28Å; I86-V90 WeakPolarHBondContact O-CG2 3.46Å; I86-V90 PolarHBondContact O-N 3.05Å; I86-I99 HydrophobicContact CG1-CD1 4.42Å; I86-I99 HydrophobicContact CG1-CG2 4.47Å; I86-R113 HydrophobicContact CD1-CB 4.39Å; I86-R113 HydrophobicContact CD1-CG 3.96Å; I86-L117 HydrophobicContact CG2-CD1 4.14Å; I86-L117 HydrophobicContact CG2-CD2 3.97Å; I86-L117 HydrophobicContact CG2-CG 4.39Å; I86-Y124 HydrophobicContact CD1-CE2 3.75Å
87	D	98.5	Very high	97.6	Very high	112 Å²	112	54.3 Å²	54.3	60%	0.599	31%	0.308	S	S	*	.	H	α-helix	trans	-60.3	-35.4	-178.9	-73.9	-13.4	0	0	0	112.8	D83 F85 P91	D83-D87 PolarHBondContact O-N 2.99Å; F85-D87 VanDerWaalsContact C-N 3.33Å; F85-D87 PolarHBondContact O-N 2.69Å; D87-P91 WeakPolarHBondContact O-CD 3.49Å
88	K	98.4	Very high	97.9	Very high	115 Å²	115	46 Å²	46	50%	0.5	27%	0.272	S	S	.	.	H	α-helix	trans	-79.5	-28.2	176.3	-69.3	169.5	-172.9	160.3	0	113.4	L59 D84 F85 I86	L59-K88 HydrophobicContact CD1-CB 3.59Å; L59-K88 HydrophobicContact CD1-CD 4.24Å; L59-K88 HydrophobicContact CD1-CG 4.49Å; D84-K88 WeakPolarHBondContact O-CD 3.25Å; D84-K88 VanDerWaalsContact O-CG 3.3Å; D84-K88 WeakPolarHBondContact O-CG 3.4Å; D84-K88 PolarHBondContact O-N 2.86Å; F85-K88 PolarHBondContact O-N 2.84Å; I86-K88 VanDerWaalsContact C-N 3.26Å; I86-K88 PolarHBondContact O-N 3.1Å
89	L	98.5	Very high	98.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-79	-44	179.9	-77.6	170.5	0	0	0	111.6	I10 L59 M62 V63 I72 L74 F85 I86 P91 L92 L93 I99	I10-L89 HydrophobicContact CD1-CD1 3.99Å; I10-L89 HydrophobicContact CD1-CD2 4.32Å; L59-L89 HydrophobicContact CD2-CD2 4.09Å; M62-L89 HydrophobicContact CE-CD2 3.78Å; V63-L89 HydrophobicContact CG2-CD2 4.22Å; I72-L89 HydrophobicContact CD1-CD2 3.88Å; I72-L89 HydrophobicContact CG2-CD1 4.05Å; L74-L89 HydrophobicContact CD2-CD1 4.07Å; F85-L89 WeakPolarHBondContact O-CB 3.42Å; F85-L89 WeakPolarHBondContact O-CG 3.28Å; F85-L89 PolarHBondContact O-N 3.1Å; I86-L89 PolarHBondContact O-N 3.07Å; L89-P91 VanDerWaalsContact C-CD 3.47Å; L89-P91 VanDerWaalsContact C-N 3.34Å; L89-L92 WeakPolarHBondContact O-CA 3.49Å; L89-L92 WeakPolarHBondContact O-CB 3.45Å; L89-L92 PolarHBondContact O-N 2.76Å; L89-L93 HydrophobicContact CB-CD1 4.25Å; L89-L93 WeakPolarHBondContact O-CG 3.47Å; L89-L93 PolarHBondContact O-N 3.42Å; L89-I99 HydrophobicContact CB-CD1 4.33Å; L89-I99 HydrophobicContact CD1-CD1 4.34Å
90	V	98.6	Very high	98.3	Very high	25 Å²	25	43.3 Å²	43.3	15%	0.152	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-48.8	-45.4	-173.9	163.3	0	0	0	0	113.7	I86 L92 L93 L117 K120 I122	I86-V90 HydrophobicContact CG2-CG2 3.98Å; I86-V90 VanDerWaalsContact O-CG2 3.28Å; I86-V90 WeakPolarHBondContact O-CG2 3.46Å; I86-V90 PolarHBondContact O-N 3.05Å; V90-L92 PolarHBondContact O-N 3.19Å; V90-L93 PolarHBondContact O-N 3.08Å; V90-L117 HydrophobicContact CG2-CD2 3.45Å; V90-L117 VanDerWaalsContact CG2-CD2 3.45Å; V90-K120 HydrophobicContact CG1-CD 3.64Å; V90-I122 HydrophobicContact CB-CD1 4.41Å; V90-I122 HydrophobicContact CG1-CD1 4.26Å; V90-I122 HydrophobicContact CG2-CD1 4.04Å
91	P	98.4	Very high	98.4	Very high	103 Å²	103	37 Å²	37	67%	0.669	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-64.8	-17	177.7	-22.3	34.2	0	0	0	114.9	D87 L89	D87-P91 WeakPolarHBondContact O-CD 3.49Å; L89-P91 VanDerWaalsContact C-CD 3.47Å; L89-P91 VanDerWaalsContact C-N 3.34Å
92	L	98.5	Very high	98.5	Very high	46 Å²	46	35.9 Å²	35.9	24%	0.241	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-100.8	-11.7	-176.6	-47.4	-177.5	0	0	0	112.5	L59 V63 L89 V90	L59-L92 HydrophobicContact CB-CD1 3.86Å; V63-L92 HydrophobicContact CG1-CB 4.16Å; V63-L92 VanDerWaalsContact CG1-O 3.31Å; V63-L92 WeakPolarHBondContact CG1-O 3.47Å; V63-L92 HydrophobicContact CG2-CB 4.06Å; V63-L92 HydrophobicContact CG2-CD1 4.31Å; L89-L92 WeakPolarHBondContact O-CA 3.49Å; L89-L92 WeakPolarHBondContact O-CB 3.45Å; L89-L92 PolarHBondContact O-N 2.76Å; V90-L92 PolarHBondContact O-N 3.19Å
93	L	98.5	Very high	98.3	Very high	22 Å²	22	36.3 Å²	36.3	12%	0.115	21%	0.209	C	C	.	.			trans	-96.1	160.1	-177.7	-62.1	-176.5	0	0	0	111.7	V63 R70 I72 L89 V90 D97 I99 I122	V63-L93 HydrophobicContact CG2-CD2 4.27Å; R70-L93 HydrophobicContact CB-CD2 4.42Å; I72-L93 HydrophobicContact CD1-CD2 3.65Å; L89-L93 HydrophobicContact CB-CD1 4.25Å; L89-L93 WeakPolarHBondContact O-CG 3.47Å; L89-L93 PolarHBondContact O-N 3.42Å; V90-L93 PolarHBondContact O-N 3.08Å; L93-D97 HydrophobicContact CB-CB 4.11Å; L93-D97 HydrophobicContact CD1-CB 4.38Å; L93-D97 HydrophobicContact CD2-CB 4.22Å; L93-D97 HydrophobicContact CG-CB 4.45Å; L93-I99 HydrophobicContact CD1-CD1 3.75Å; L93-I99 HydrophobicContact CD1-CG1 3.76Å; L93-I122 HydrophobicContact CB-CD1 4.01Å; L93-I122 HydrophobicContact CD1-CD1 4.36Å; L93-I122 HydrophobicContact CD1-CG2 4.29Å
94	Q	97.8	Very high	98.1	Very high	90 Å²	90	37.8 Å²	37.8	42%	0.421	22%	0.217	S	C	.	.			trans	-116.5	166.4	173.6	69.6	-170.8	53.8	0	0	111.1	L68 G96 D97	L68-Q94 HydrophobicContact CD2-CG 4.41Å; Q94-G96 PolarHBondContact O-N 3.37Å; Q94-D97 PolarHBondContact N-OD2 3.08Å; Q94-D97 VanDerWaalsContact O-CB 3.28Å; Q94-D97 WeakPolarHBondContact O-CB 3.48Å; Q94-D97 PolarHBondContact O-N 2.91Å
95	A	98.2	Very high	98	Very high	71 Å²	71	34.1 Å²	34.1	59%	0.587	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	134.6	175.3	0	0	0	0	0	111.5	S121	A95-S121 CarbonylContact C-O 3.46Å; A95-S121 WeakPolarHBondContact CA-O 3.2Å
96	G	98.2	Very high	97.9	Very high	24 Å²	24	34.7 Å²	34.7	25%	0.247	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-9.9	-175.9	0	0	0	0	0	115.1	P69 Q94 S121	P69-G96 VanDerWaalsContact CB-O 3.28Å; P69-G96 WeakPolarHBondContact CB-O 3.2Å; Q94-G96 PolarHBondContact O-N 3.37Å; G96-S121 PolarHBondContact N-O 2.9Å
97	D	98.7	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.2	C	C	.	.			trans	-66.7	155.7	171.9	-72.7	-15.5	0	0	0	111.3	R70 L93 Q94 H123	R70-D97 HydrophobicContact CB-CB 4.12Å; R70-D97 WeakPolarHBondContact CD-OD2 3.48Å; R70-D97 IonicContact CZ-OD2 3.34Å; R70-D97 PolarHBondContact N-OD1 3Å; R70-D97 IonicContact NE-OD2 3.84Å; R70-D97 IonicContact NH1-OD1 3.49Å; R70-D97 IonicContact NH1-OD2 3.93Å; R70-D97 PolarHBondContact NH1-OD2 2.84Å; L93-D97 HydrophobicContact CB-CB 4.11Å; L93-D97 HydrophobicContact CD1-CB 4.38Å; L93-D97 HydrophobicContact CD2-CB 4.22Å; L93-D97 HydrophobicContact CG-CB 4.45Å; Q94-D97 PolarHBondContact N-OD2 3.08Å; Q94-D97 VanDerWaalsContact O-CB 3.28Å; Q94-D97 WeakPolarHBondContact O-CB 3.48Å; Q94-D97 PolarHBondContact O-N 2.91Å; D97-H123 PolarHBondContact O-N 2.86Å
98	I	98.9	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.9	-167.1	-53.1	162.9	0	0	0	110.1	P69 R70 R71 I72 I100 H123 I125 A150 H153 I154	P69-I98 HydrophobicContact CG-CD1 4.48Å; R70-I98 WeakPolarHBondContact O-CA 3.26Å; R70-I98 WeakPolarHBondContact O-CB 3.41Å; R70-I98 PolarHBondContact O-N 3.11Å; R71-I98 HydrophobicContact CG-CD1 4.09Å; I72-I98 PolarHBondContact N-O 3.24Å; I98-I100 HydrophobicContact CG2-CG1 3.98Å; I98-H123 WeakPolarHBondContact CA-O 3.29Å; I98-H123 HydrophobicContact CG1-CB 4.09Å; I98-I125 HydrophobicContact CG2-CG1 4.14Å; I98-A150 HydrophobicContact CD1-CB 3.87Å; I98-A150 HydrophobicContact CG1-CB 3.9Å; I98-A150 HydrophobicContact CG2-CB 3.92Å; I98-H153 HydrophobicContact CD1-CB 3.49Å; I98-H153 VanDerWaalsContact CD1-CB 3.49Å; I98-I154 HydrophobicContact CD1-CG2 4.12Å; I98-I154 HydrophobicContact CG2-CG2 4.22Å
99	I	98.9	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.6	166.5	-60.6	176	0	0	0	108.5	I72 L74 I86 L89 L93 L117 I122 H123 Y124 I125	I72-I99 CarbonylContact O-C 3.3Å; I72-I99 WeakPolarHBondContact O-CA 3.33Å; L74-I99 HydrophobicContact CD1-CG2 3.88Å; L74-I99 HydrophobicContact CG-CG2 4.17Å; I86-I99 HydrophobicContact CG1-CD1 4.42Å; I86-I99 HydrophobicContact CG1-CG2 4.47Å; L89-I99 HydrophobicContact CB-CD1 4.33Å; L89-I99 HydrophobicContact CD1-CD1 4.34Å; L93-I99 HydrophobicContact CD1-CD1 3.75Å; L93-I99 HydrophobicContact CD1-CG1 3.76Å; I99-L117 HydrophobicContact CD1-CD1 4.22Å; I99-I122 HydrophobicContact CD1-CG2 4.27Å; I99-I122 HydrophobicContact CG1-CG2 4.29Å; I99-H123 PolarHBondContact N-O 2.75Å; I99-Y124 HydrophobicContact CB-CD2 3.97Å; I99-Y124 HydrophobicContact CB-CE2 4.4Å; I99-Y124 HydrophobicContact CG2-CD2 3.9Å; I99-Y124 HydrophobicContact CG2-CE2 3.81Å; I99-Y124 WeakPolarHBondContact O-CA 3.45Å; I99-I125 PolarHBondContact O-N 3.26Å
100	I	98.9	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.7	176.2	-49.5	167.3	0	0	0	107.4	I7 I72 M73 L74 I98 I125 C127 I154	I7-I100 HydrophobicContact CD1-CD1 4.3Å; I72-I100 PolarHBondContact O-N 3.22Å; M73-I100 CarbonylContact C-O 3.59Å; M73-I100 VanDerWaalsContact CA-O 3.24Å; M73-I100 WeakPolarHBondContact CA-O 3.38Å; M73-I100 HydrophobicContact CB-CB 4.26Å; M73-I100 HydrophobicContact CE-CG2 4.47Å; M73-I100 HydrophobicContact CG-CB 4.2Å; M73-I100 HydrophobicContact CG-CG2 4.22Å; L74-I100 PolarHBondContact N-O 2.76Å; I98-I100 HydrophobicContact CG2-CG1 3.98Å; I100-I125 CarbonylContact C-O 3.54Å; I100-I125 VanDerWaalsContact CA-O 3.31Å; I100-I125 WeakPolarHBondContact CA-O 3.49Å; I100-I125 HydrophobicContact CB-CB 4.5Å; I100-I125 HydrophobicContact CG1-CB 4.31Å; I100-I125 HydrophobicContact CG2-CB 4.3Å; I100-I125 HydrophobicContact CG2-CG2 4.22Å; I100-C127 HydrophobicContact CG2-CB 3.79Å; I100-I154 HydrophobicContact CD1-CB 4.36Å; I100-I154 HydrophobicContact CD1-CG2 3.8Å
101	D	98.8	Very high	97.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	111.4	167.3	179.8	9.5	0	0	0	108.8	G103 S105 R113 Y124 I125 C127 H181	D101-G103 PolarHBondContact OD1-N 3.4Å; D101-S105 WeakPolarHBondContact OD2-CB 3.14Å; D101-S105 PolarHBondContact OD2-OG 3.32Å; D101-R113 IonicContact OD2-NH1 3.54Å; D101-R113 PolarHBondContact OD2-NH1 3.39Å; D101-Y124 HydrophobicContact CB-CE2 4.27Å; D101-Y124 WeakPolarHBondContact CB-OH 3.49Å; D101-Y124 PolarHBondContact OD2-OH 2.93Å; D101-I125 PolarHBondContact N-O 2.88Å; D101-C127 PolarHBondContact O-N 2.88Å; D101-H181 PolarHBondContact O-CE1 3.36Å; D101-H181 PolarHBondContact O-NE2 3.29Å; D101-H181 VanDerWaalsContact O-NE2 3.15Å; D101-H181 IonicContact OD2-CE1 2.81Å
102	G	97.9	Very high	97.8	Very high	4 Å²	4	32.2 Å²	32.2	4%	0.041	17%	0.171	C	C	.	.			trans	-95.9	5.1	176.9	0	0	0	0	0	113.7	L74 C127	L74-G102 PolarHBondContact O-N 2.95Å; G102-C127 WeakPolarHBondContact CA-O 3.44Å
103	G	95.2	Very high	97.8	Very high	8 Å²	8	30.2 Å²	30.2	8%	0.082	16%	0.161	C	C	.	.	S	Bend	trans	-70.6	177.5	178.8	0	0	0	0	0	113.3	D101 S105 H181	D101-G103 PolarHBondContact OD1-N 3.4Å; G103-S105 PolarHBondContact O-N 3.4Å; G103-H181 PolarHBondContact O-NE2 3.34Å
104	N	94.1	Very high	97.8	Very high	60 Å²	60	30.2 Å²	30.2	32%	0.321	16%	0.159	S	C	.	.			trans	-90.4	59.6	166.2	-65.8	-51.6	0	0	0	109.2	A78 K184 T263 W266	A78-N104 WeakPolarHBondContact CB-O 3.21Å; N104-K184 PolarHBondContact OD1-NZ 3.23Å; N104-T263 HydrophobicContact CB-CG2 3.94Å; N104-W266 WeakPolarHBondContact O-CZ3 3.41Å
105	S	96.8	Very high	97.8	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.035	16%	0.16	C	C	.	.			trans	-74.8	151.8	-179.5	-72.8	0	0	0	0	111.6	D101 G103 R113	D101-S105 WeakPolarHBondContact OD2-CB 3.14Å; D101-S105 PolarHBondContact OD2-OG 3.32Å; G103-S105 PolarHBondContact O-N 3.4Å; S105-R113 PolarHBondContact OG-NH1 2.82Å
106	D	96.4	Very high	97.9	Very high	33 Å²	33	29.2 Å²	29.2	18%	0.176	15%	0.148	C	C	.	.			trans	-62.1	137.9	168.5	-166.3	-43.6	0	0	0	109.1	H108 D109 T110 W266	D106-H108 PolarHBondContact O-N 3.31Å; D106-H108 WeakPolarHBondContact OD1-CB 3.24Å; D106-H108 IonicContact OD1-CD2 3.8Å; D106-H108 PolarHBondContact OD1-CD2 3.49Å; D106-H108 VanDerWaalsContact OD1-CD2 3.32Å; D106-H108 IonicContact OD1-CG 3.61Å; D106-H108 PolarHBondContact OD1-N 2.84Å; D106-D109 HydrophobicContact CB-CB 4.39Å; D106-D109 PolarHBondContact O-N 2.78Å; D106-T110 PolarHBondContact O-N 3.1Å; D106-T110 VanDerWaalsContact O-N 3.08Å; D106-T110 PolarHBondContact O-OG1 2.92Å; D106-W266 HydrophobicContact CB-CH2 4.32Å; D106-W266 HydrophobicContact CB-CZ2 4.47Å; D106-W266 HydrophobicContact CB-CZ3 4.42Å
107	F	97.3	Very high	97.9	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-66.7	-29.2	179	80.7	-81.5	0	0	0	111.4	T110 R111 H181 Y182 M185 Y352 W354	F107-T110 WeakPolarHBondContact O-CB 3.09Å; F107-T110 PolarHBondContact O-N 3.42Å; F107-R111 VanDerWaalsContact O-CG 3.3Å; F107-R111 WeakPolarHBondContact O-CG 3.43Å; F107-R111 PolarHBondContact O-N 2.74Å; F107-H181 HydrophobicContact CB-CB 4.32Å; F107-Y182 HydrophobicContact CB-CD2 4.28Å; F107-Y182 AromaticContact CD1-CD2 3.65Å; F107-Y182 HydrophobicContact CD1-CD2 3.65Å; F107-Y182 HydrophobicContact CD1-CE2 4.16Å; F107-Y182 AromaticContact CD2-CD2 3.76Å; F107-Y182 HydrophobicContact CD2-CD2 3.76Å; F107-Y182 HydrophobicContact CD2-CE2 4.49Å; F107-Y182 AromaticContact CE1-CD2 3.8Å; F107-Y182 HydrophobicContact CE1-CD2 3.8Å; F107-Y182 AromaticContact CE1-CE2 3.84Å; F107-Y182 HydrophobicContact CE1-CE2 3.84Å; F107-Y182 AromaticContact CE2-CD2 3.9Å; F107-Y182 HydrophobicContact CE2-CD2 3.9Å; F107-Y182 HydrophobicContact CE2-CE2 4.19Å; F107-Y182 AromaticContact CG-CD2 3.61Å; F107-Y182 HydrophobicContact CG-CD2 3.61Å; F107-Y182 HydrophobicContact CG-CE2 4.46Å; F107-Y182 HydrophobicContact CG-CG 4.49Å; F107-Y182 AromaticContact CZ-CD2 3.91Å; F107-Y182 HydrophobicContact CZ-CD2 3.91Å; F107-Y182 AromaticContact CZ-CE2 3.85Å; F107-Y182 HydrophobicContact CZ-CE2 3.85Å; F107-M185 HydrophobicContact CD1-CE 4.34Å; F107-M185 HydrophobicContact CD1-SD 4.28Å; F107-M185 HydrophobicContact CE1-CE 4.33Å; F107-Y352 HydrophobicContact CE2-CD2 4.42Å; F107-Y352 HydrophobicContact CE2-CE1 4.3Å; F107-Y352 AromaticContact CE2-CE2 3.66Å; F107-Y352 HydrophobicContact CE2-CE2 3.66Å; F107-Y352 AromaticContact CE2-CZ 3.59Å; F107-Y352 HydrophobicContact CZ-CE2 4.05Å; F107-Y352 AromaticContact CZ-CZ 3.91Å; F107-Y352 WeakPolarHBondContact CZ-OH 3.42Å; F107-W354 AromaticContact CD2-CH2 3.92Å; F107-W354 HydrophobicContact CD2-CH2 3.92Å; F107-W354 HydrophobicContact CE2-CH2 4.34Å
108	H	97.1	Very high	97.8	Very high	76 Å²	76	33.6 Å²	33.6	35%	0.352	16%	0.161	S	C	.	.	H	α-helix	trans	-62.9	-44.7	173.9	-68.2	-73.3	0	0	0	111.5	D106 T110 R111 R112	D106-H108 PolarHBondContact O-N 3.31Å; D106-H108 WeakPolarHBondContact OD1-CB 3.24Å; D106-H108 IonicContact OD1-CD2 3.8Å; D106-H108 PolarHBondContact OD1-CD2 3.49Å; D106-H108 VanDerWaalsContact OD1-CD2 3.32Å; D106-H108 IonicContact OD1-CG 3.61Å; D106-H108 PolarHBondContact OD1-N 2.84Å; H108-T110 VanDerWaalsContact C-N 3.26Å; H108-T110 PolarHBondContact O-N 3.41Å; H108-R111 PolarHBondContact O-N 3.42Å; H108-R112 PolarHBondContact O-N 2.99Å
109	D	98.1	Very high	97.8	Very high	52 Å²	52	41.7 Å²	41.7	28%	0.278	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-40.6	173.5	-75.8	-29.4	0	0	0	111.2	D106 R111 R112 R113	D106-D109 HydrophobicContact CB-CB 4.39Å; D106-D109 PolarHBondContact O-N 2.78Å; D109-R111 PolarHBondContact O-N 2.8Å; D109-R112 PolarHBondContact O-N 3.37Å; D109-R113 WeakPolarHBondContact O-CB 3.36Å; D109-R113 WeakPolarHBondContact O-CD 3.46Å; D109-R113 WeakPolarHBondContact O-CG 3.03Å; D109-R113 PolarHBondContact O-N 2.73Å
110	T	98.6	Very high	97.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-44	178.8	-50.9	0	0	0	0	111.3	D106 F107 H108 R113 Y114 Y124 H181	D106-T110 PolarHBondContact O-N 3.1Å; D106-T110 VanDerWaalsContact O-N 3.08Å; D106-T110 PolarHBondContact O-OG1 2.92Å; F107-T110 WeakPolarHBondContact O-CB 3.09Å; F107-T110 PolarHBondContact O-N 3.42Å; H108-T110 VanDerWaalsContact C-N 3.26Å; H108-T110 PolarHBondContact O-N 3.41Å; T110-R113 PolarHBondContact O-N 3.33Å; T110-Y114 VanDerWaalsContact O-CB 3.26Å; T110-Y114 WeakPolarHBondContact O-CB 3.31Å; T110-Y114 PolarHBondContact O-N 3.36Å; T110-Y124 HydrophobicContact CG2-CD1 4.44Å; T110-Y124 HydrophobicContact CG2-CE1 3.86Å; T110-H181 PolarHBondContact OG1-ND1 2.81Å
111	R	98.3	Very high	97.7	Very high	63 Å²	63	51 Å²	51	24%	0.238	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-46.8	175.6	-67.3	-179.1	75.3	-149.9	-1.8	111.2	F107 H108 D109 R113 Y114 F115 D177	F107-R111 VanDerWaalsContact O-CG 3.3Å; F107-R111 WeakPolarHBondContact O-CG 3.43Å; F107-R111 PolarHBondContact O-N 2.74Å; H108-R111 PolarHBondContact O-N 3.42Å; D109-R111 PolarHBondContact O-N 2.8Å; R111-R113 PolarHBondContact O-N 2.72Å; R111-Y114 WeakPolarHBondContact O-CB 3.39Å; R111-Y114 PolarHBondContact O-N 3.21Å; R111-F115 HydrophobicContact CB-CE2 4.47Å; R111-F115 WeakPolarHBondContact O-CD2 3.43Å; R111-F115 PolarHBondContact O-N 3.08Å; R111-D177 HydrophobicContact CB-CB 4.48Å; R111-D177 HydrophobicContact CG-CB 3.97Å; R111-D177 IonicContact CZ-OD2 3.64Å; R111-D177 IonicContact NE-OD1 2.7Å; R111-D177 IonicContact NE-OD2 3.69Å; R111-D177 PolarHBondContact NE-OD2 3.4Å; R111-D177 IonicContact NH2-OD2 3.53Å
112	R	98.5	Very high	97.7	Very high	119 Å²	119	51.3 Å²	51.3	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-56.6	-49.7	176.1	-176.8	-171	60.7	74.1	0.9	111.5	D83 H108 D109 F115 A116	D83-R112 IonicContact OD1-CZ 3.81Å; D83-R112 IonicContact OD1-NH1 3.22Å; D83-R112 IonicContact OD1-NH2 2.77Å; D83-R112 PolarHBondContact OD1-NH2 2.79Å; D83-R112 IonicContact OD2-NH2 2.72Å; D83-R112 PolarHBondContact OD2-NH2 3.31Å; D83-R112 VanDerWaalsContact OD2-NH2 3.08Å; H108-R112 PolarHBondContact O-N 2.99Å; D109-R112 PolarHBondContact O-N 3.37Å; R112-F115 PolarHBondContact O-N 3.45Å; R112-A116 WeakPolarHBondContact O-CB 3.49Å; R112-A116 PolarHBondContact O-N 3.28Å; R112-A116 VanDerWaalsContact O-N 3.07Å
113	R	98.7	Very high	97.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-40.7	178.4	-69.6	166.6	-175.7	148.8	9.5	111.8	G79 D83 I86 D101 S105 D109 T110 R111 A116 L117 Y124	G79-R113 PolarHBondContact O-NH2 3.47Å; D83-R113 IonicContact OD1-CZ 3.28Å; D83-R113 IonicContact OD1-NE 2.9Å; D83-R113 PolarHBondContact OD1-NE 2.93Å; D83-R113 IonicContact OD1-NH2 2.73Å; D83-R113 IonicContact OD2-CZ 3.46Å; D83-R113 IonicContact OD2-NE 2.74Å; D83-R113 IonicContact OD2-NH2 3.55Å; D83-R113 PolarHBondContact OD2-NH2 3.03Å; I86-R113 HydrophobicContact CD1-CB 4.39Å; I86-R113 HydrophobicContact CD1-CG 3.96Å; D101-R113 IonicContact OD2-NH1 3.54Å; D101-R113 PolarHBondContact OD2-NH1 3.39Å; S105-R113 PolarHBondContact OG-NH1 2.82Å; D109-R113 WeakPolarHBondContact O-CB 3.36Å; D109-R113 WeakPolarHBondContact O-CD 3.46Å; D109-R113 WeakPolarHBondContact O-CG 3.03Å; D109-R113 PolarHBondContact O-N 2.73Å; T110-R113 PolarHBondContact O-N 3.33Å; R111-R113 PolarHBondContact O-N 2.72Å; R113-A116 PolarHBondContact O-N 2.95Å; R113-L117 WeakPolarHBondContact O-CB 3.23Å; R113-L117 WeakPolarHBondContact O-CG 3.48Å; R113-L117 PolarHBondContact O-N 3.48Å; R113-Y124 HydrophobicContact CB-CD1 3.95Å; R113-Y124 HydrophobicContact CB-CE1 3.54Å; R113-Y124 HydrophobicContact CB-CE2 4.25Å; R113-Y124 HydrophobicContact CB-CG 4.44Å; R113-Y124 WeakPolarHBondContact CD-OH 3.48Å
114	Y	98.7	Very high	97.9	Very high	21 Å²	21	52.9 Å²	52.9	8%	0.082	25%	0.253	C	S	.	.	H	α-helix	trans	-56.9	-52.4	175.8	168.9	-95.3	0	0	0	112	T110 R111 L117 K118 G146 A147 D177	T110-Y114 VanDerWaalsContact O-CB 3.26Å; T110-Y114 WeakPolarHBondContact O-CB 3.31Å; T110-Y114 PolarHBondContact O-N 3.36Å; R111-Y114 WeakPolarHBondContact O-CB 3.39Å; R111-Y114 PolarHBondContact O-N 3.21Å; Y114-L117 PolarHBondContact O-N 3.44Å; Y114-K118 HydrophobicContact CE1-CD 4.22Å; Y114-K118 VanDerWaalsContact O-CB 3.3Å; Y114-K118 WeakPolarHBondContact O-CB 3.5Å; Y114-K118 PolarHBondContact O-N 3.2Å; Y114-K118 PolarHBondContact OH-NZ 3.29Å; Y114-G146 VanDerWaalsContact CE2-C 3.5Å; Y114-A147 HydrophobicContact CE2-CB 3.96Å; Y114-D177 HydrophobicContact CD1-CB 3.48Å; Y114-D177 VanDerWaalsContact CD1-CB 3.48Å; Y114-D177 HydrophobicContact CD2-CB 4.48Å; Y114-D177 HydrophobicContact CE1-CB 3.97Å; Y114-D177 HydrophobicContact CG-CB 3.79Å
115	F	98.4	Very high	98.1	Very high	99 Å²	99	50 Å²	50	43%	0.434	24%	0.238	S	C	.	.	H	α-helix	trans	-66.9	-41.8	-179.1	-69.7	-65.5	0	0	0	112.1	R111 R112 L117 K118 E119	R111-F115 HydrophobicContact CB-CE2 4.47Å; R111-F115 WeakPolarHBondContact O-CD2 3.43Å; R111-F115 PolarHBondContact O-N 3.08Å; R112-F115 PolarHBondContact O-N 3.45Å; F115-L117 PolarHBondContact O-N 3.43Å; F115-K118 PolarHBondContact O-N 3.43Å; F115-E119 PolarHBondContact O-N 2.97Å
116	A	98.4	Very high	98.2	Very high	42 Å²	42	49.8 Å²	49.8	35%	0.347	24%	0.236	S	C	.	.	H	α-helix	trans	-63.3	-37.7	178.6	0	0	0	0	0	113.5	R112 R113	R112-A116 WeakPolarHBondContact O-CB 3.49Å; R112-A116 PolarHBondContact O-N 3.28Å; R112-A116 VanDerWaalsContact O-N 3.07Å; R113-A116 PolarHBondContact O-N 2.95Å
117	L	98.6	Very high	98.3	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-79.2	-30.3	178.3	-72.1	171.3	0	0	0	112.5	I86 V90 I99 R113 Y114 F115 E119 K120 S121 I122 Y124	I86-L117 HydrophobicContact CG2-CD1 4.14Å; I86-L117 HydrophobicContact CG2-CD2 3.97Å; I86-L117 HydrophobicContact CG2-CG 4.39Å; V90-L117 HydrophobicContact CG2-CD2 3.45Å; V90-L117 VanDerWaalsContact CG2-CD2 3.45Å; I99-L117 HydrophobicContact CD1-CD1 4.22Å; R113-L117 WeakPolarHBondContact O-CB 3.23Å; R113-L117 WeakPolarHBondContact O-CG 3.48Å; R113-L117 PolarHBondContact O-N 3.48Å; Y114-L117 PolarHBondContact O-N 3.44Å; F115-L117 PolarHBondContact O-N 3.43Å; L117-E119 VanDerWaalsContact C-N 3.3Å; L117-E119 PolarHBondContact O-N 2.92Å; L117-K120 CarbonylContact O-C 3.47Å; L117-K120 WeakPolarHBondContact O-CA 3.36Å; L117-K120 PolarHBondContact O-N 2.83Å; L117-S121 PolarHBondContact O-N 2.8Å; L117-I122 CarbonylContact C-O 3.57Å; L117-I122 VanDerWaalsContact C-O 3.24Å; L117-I122 HydrophobicContact CB-CB 4.26Å; L117-I122 HydrophobicContact CB-CG2 4.43Å; L117-I122 HydrophobicContact CD2-CB 4.19Å; L117-I122 HydrophobicContact CD2-CD1 4.31Å; L117-I122 HydrophobicContact CD2-CG2 4.13Å; L117-I122 PolarHBondContact O-N 3.18Å; L117-I122 VanDerWaalsContact O-O 3.08Å; L117-Y124 HydrophobicContact CD1-CD2 3.3Å; L117-Y124 HydrophobicContact CD1-CE2 4.1Å; L117-Y124 HydrophobicContact CD1-CG 3.73Å
118	K	98	Very high	98.4	Very high	112 Å²	112	48 Å²	48	49%	0.487	23%	0.227	S	C	.	.	H	α-helix	trans	-58.7	-40.6	173.5	-173.8	174.3	-175.9	172.1	0	112	Y114 F115 K120 S121	Y114-K118 HydrophobicContact CE1-CD 4.22Å; Y114-K118 VanDerWaalsContact O-CB 3.3Å; Y114-K118 WeakPolarHBondContact O-CB 3.5Å; Y114-K118 PolarHBondContact O-N 3.2Å; Y114-K118 PolarHBondContact OH-NZ 3.29Å; F115-K118 PolarHBondContact O-N 3.43Å; K118-K120 PolarHBondContact O-N 2.81Å; K118-S121 PolarHBondContact O-N 2.79Å
119	E	97.6	Very high	98.4	Very high	170 Å²	170	44.7 Å²	44.7	79%	0.794	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28	174.5	-69.2	178.4	178.9	0	0	113.1	F115 L117 S121	F115-E119 PolarHBondContact O-N 2.97Å; L117-E119 VanDerWaalsContact C-N 3.3Å; L117-E119 PolarHBondContact O-N 2.92Å; E119-S121 VanDerWaalsContact C-N 3.35Å
120	K	97.9	Very high	98.4	Very high	125 Å²	125	42.5 Å²	42.5	54%	0.543	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.4	177.8	-59.1	174.8	-175.7	-86.9	0	112.8	V90 L117 K118 I122	V90-K120 HydrophobicContact CG1-CD 3.64Å; L117-K120 CarbonylContact O-C 3.47Å; L117-K120 WeakPolarHBondContact O-CA 3.36Å; L117-K120 PolarHBondContact O-N 2.83Å; K118-K120 PolarHBondContact O-N 2.81Å; K120-I122 HydrophobicContact CB-CD1 4.32Å; K120-I122 HydrophobicContact CB-CG1 4.48Å; K120-I122 PolarHBondContact O-N 2.91Å
121	S	98.3	Very high	98.1	Very high	69 Å²	69	42.9 Å²	42.9	48%	0.483	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	28.6	-174.6	-57.8	0	0	0	0	113.7	A95 G96 L117 K118 E119	A95-S121 CarbonylContact C-O 3.46Å; A95-S121 WeakPolarHBondContact CA-O 3.2Å; G96-S121 PolarHBondContact N-O 2.9Å; L117-S121 PolarHBondContact O-N 2.8Å; K118-S121 PolarHBondContact O-N 2.79Å; E119-S121 VanDerWaalsContact C-N 3.35Å
122	I	98.7	Very high	97.7	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.036	21%	0.209	C	C	.	.			trans	-102.4	129.6	171.8	-65.6	168.5	0	0	0	107.3	V90 L93 I99 L117 K120	V90-I122 HydrophobicContact CB-CD1 4.41Å; V90-I122 HydrophobicContact CG1-CD1 4.26Å; V90-I122 HydrophobicContact CG2-CD1 4.04Å; L93-I122 HydrophobicContact CB-CD1 4.01Å; L93-I122 HydrophobicContact CD1-CD1 4.36Å; L93-I122 HydrophobicContact CD1-CG2 4.29Å; I99-I122 HydrophobicContact CD1-CG2 4.27Å; I99-I122 HydrophobicContact CG1-CG2 4.29Å; L117-I122 CarbonylContact C-O 3.57Å; L117-I122 VanDerWaalsContact C-O 3.24Å; L117-I122 HydrophobicContact CB-CB 4.26Å; L117-I122 HydrophobicContact CB-CG2 4.43Å; L117-I122 HydrophobicContact CD2-CB 4.19Å; L117-I122 HydrophobicContact CD2-CD1 4.31Å; L117-I122 HydrophobicContact CD2-CG2 4.13Å; L117-I122 PolarHBondContact O-N 3.18Å; L117-I122 VanDerWaalsContact O-O 3.08Å; K120-I122 HydrophobicContact CB-CD1 4.32Å; K120-I122 HydrophobicContact CB-CG1 4.48Å; K120-I122 PolarHBondContact O-N 2.91Å
123	H	98.8	Very high	97.3	Very high	44 Å²	44	41.4 Å²	41.4	20%	0.204	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.3	178	-63.9	-46.2	0	0	0	110.6	D97 I98 I99 A147 A150	D97-H123 PolarHBondContact O-N 2.86Å; I98-H123 WeakPolarHBondContact CA-O 3.29Å; I98-H123 HydrophobicContact CG1-CB 4.09Å; I99-H123 PolarHBondContact N-O 2.75Å; H123-A147 HydrophobicContact CB-CB 3.77Å; H123-A150 HydrophobicContact CB-CB 3.78Å
124	Y	98.9	Very high	97	Very high	1 Å²	1	47 Å²	47	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.1	177.4	-169.5	-107	0	0	0	110.8	I86 I99 D101 T110 R113 L117 G146 A147	I86-Y124 HydrophobicContact CD1-CE2 3.75Å; I99-Y124 HydrophobicContact CB-CD2 3.97Å; I99-Y124 HydrophobicContact CB-CE2 4.4Å; I99-Y124 HydrophobicContact CG2-CD2 3.9Å; I99-Y124 HydrophobicContact CG2-CE2 3.81Å; I99-Y124 WeakPolarHBondContact O-CA 3.45Å; D101-Y124 HydrophobicContact CB-CE2 4.27Å; D101-Y124 WeakPolarHBondContact CB-OH 3.49Å; D101-Y124 PolarHBondContact OD2-OH 2.93Å; T110-Y124 HydrophobicContact CG2-CD1 4.44Å; T110-Y124 HydrophobicContact CG2-CE1 3.86Å; R113-Y124 HydrophobicContact CB-CD1 3.95Å; R113-Y124 HydrophobicContact CB-CE1 3.54Å; R113-Y124 HydrophobicContact CB-CE2 4.25Å; R113-Y124 HydrophobicContact CB-CG 4.44Å; R113-Y124 WeakPolarHBondContact CD-OH 3.48Å; L117-Y124 HydrophobicContact CD1-CD2 3.3Å; L117-Y124 HydrophobicContact CD1-CE2 4.1Å; L117-Y124 HydrophobicContact CD1-CG 3.73Å; Y124-G146 WeakPolarHBondContact O-CA 3.41Å; Y124-A147 PolarHBondContact O-N 3.24Å
125	I	98.9	Very high	96.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.8	-179.7	-55.9	-67.1	0	0	0	108.6	I98 I99 I100 D101 C127 P144 G145 A147 A150 I154 W173	I98-I125 HydrophobicContact CG2-CG1 4.14Å; I99-I125 PolarHBondContact O-N 3.26Å; I100-I125 CarbonylContact C-O 3.54Å; I100-I125 VanDerWaalsContact CA-O 3.31Å; I100-I125 WeakPolarHBondContact CA-O 3.49Å; I100-I125 HydrophobicContact CB-CB 4.5Å; I100-I125 HydrophobicContact CG1-CB 4.31Å; I100-I125 HydrophobicContact CG2-CB 4.3Å; I100-I125 HydrophobicContact CG2-CG2 4.22Å; D101-I125 PolarHBondContact N-O 2.88Å; I125-C127 HydrophobicContact CG2-CB 4.34Å; I125-P144 HydrophobicContact CG2-CB 3.99Å; I125-G145 CarbonylContact C-O 3.24Å; I125-G145 VanDerWaalsContact CA-O 3.31Å; I125-G145 WeakPolarHBondContact CA-O 3.37Å; I125-G145 WeakPolarHBondContact CG2-O 3.47Å; I125-A147 HydrophobicContact CD1-CB 4.34Å; I125-A147 VanDerWaalsContact CD1-O 3.28Å; I125-A147 WeakPolarHBondContact CD1-O 3.43Å; I125-A150 HydrophobicContact CD1-CB 3.83Å; I125-A150 HydrophobicContact CG1-CB 3.99Å; I125-I154 HydrophobicContact CB-CD1 4.43Å; I125-I154 HydrophobicContact CD1-CD1 4.39Å; I125-I154 HydrophobicContact CG1-CD1 3.95Å; I125-I154 HydrophobicContact CG2-CD1 3.98Å; I125-W173 HydrophobicContact CD1-CH2 3.72Å; I125-W173 HydrophobicContact CD1-CZ3 3.79Å
126	G	98.7	Very high	96.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.5	162.9	0	0	0	0	0	109.3	G145 H181	G126-G145 PolarHBondContact N-O 3.29Å; G126-G145 PolarHBondContact O-N 2.88Å; G126-G145 VanDerWaalsContact O-O 3.14Å; G126-H181 WeakPolarHBondContact CA-CE1 3.29Å
127	C	98.6	Very high	96.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	106.8	-175.8	-173.5	0	0	0	0	110.7	I100 D101 G102 I125 V129 P144 H181	I100-C127 HydrophobicContact CG2-CB 3.79Å; D101-C127 PolarHBondContact O-N 2.88Å; G102-C127 WeakPolarHBondContact CA-O 3.44Å; I125-C127 HydrophobicContact CG2-CB 4.34Å; C127-V129 PolarHBondContact O-N 2.73Å; C127-P144 HydrophobicContact CB-CB 4.41Å; C127-H181 PolarHBondContact N-NE2 3Å
128	G	97.8	Very high	96.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	122.1	172.3	0	0	0	0	0	112.2	L142 M143	G128-L142 CarbonylContact O-C 2.9Å; G128-L142 WeakPolarHBondContact O-CA 3.45Å; G128-M143 PolarHBondContact N-O 2.84Å; G128-M143 VanDerWaalsContact N-O 3.16Å; G128-M143 PolarHBondContact O-N 3.07Å
129	V	97.9	Very high	96.6	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.5	175.6	-173.2	0	0	0	0	110.6	M15 M73 C127 P140 L142 K184	M15-V129 HydrophobicContact CE-CG1 3.93Å; M73-V129 HydrophobicContact CE-CG2 3.84Å; C127-V129 PolarHBondContact O-N 2.73Å; V129-P140 HydrophobicContact CG1-CB 3.98Å; V129-P140 HydrophobicContact CG1-CG 4.38Å; V129-L142 HydrophobicContact CB-CD2 4.15Å; V129-L142 HydrophobicContact CG1-CD2 3.91Å; V129-L142 HydrophobicContact CG2-CD2 3.7Å; V129-K184 PolarHBondContact O-NZ 2.92Å
130	S	97.4	Very high	96.6	Very high	5 Å²	5	36.4 Å²	36.4	4%	0.035	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.6	179.2	-170.1	0	0	0	0	112.4	P140 S141 H187 C369	S130-P140 VanDerWaalsContact O-CA 3.3Å; S130-P140 WeakPolarHBondContact O-CA 3.49Å; S130-P140 VanDerWaalsContact O-CB 3.24Å; S130-P140 WeakPolarHBondContact O-CB 3.44Å; S130-S141 PolarHBondContact N-O 2.76Å; S130-S141 PolarHBondContact O-N 3.3Å; S130-H187 PolarHBondContact OG-CE1 3.33Å; S130-H187 PolarHBondContact OG-NE2 3.05Å; S130-H187 VanDerWaalsContact OG-NE2 3.07Å; S130-C369 WeakPolarHBondContact OG-CB 3.33Å
131	G	93.3	Very high	96.6	Very high	8 Å²	8	30.5 Å²	30.5	8%	0.082	16%	0.159	C	C	.	.	S	Bend	trans	136.7	-5.9	178.3	0	0	0	0	0	116.4	G135 G368	G131-G135 VanDerWaalsContact O-CA 3.32Å; G131-G135 WeakPolarHBondContact O-CA 3.46Å; G131-G135 PolarHBondContact O-N 3.47Å; G131-G368 WeakPolarHBondContact CA-O 3.43Å
132	G	89.7	Confident	96.7	Very high	31 Å²	31	27.2 Å²	27.2	32%	0.32	14%	0.136	S	C	.	.	H	α-helix	trans	66.9	-160.5	-175.6	0	0	0	0	0	112.1	M15 A136	M15-G132 VanDerWaalsContact SD-C 3.58Å; M15-G132 VanDerWaalsContact SD-O 3.36Å; G132-A136 WeakPolarHBondContact O-CB 3.36Å; G132-A136 PolarHBondContact O-N 3.3Å
133	E	90.6	Very high	96.7	Very high	121 Å²	121	26.9 Å²	26.9	57%	0.565	13%	0.134	S	C	*	.	H	α-helix	trans	-61.8	-54.1	-177.9	174.7	165.6	-161.1	0	0	112.3	V14 G135 A136 R137	V14-E133 HydrophobicContact CG1-CB 3.73Å; V14-E133 HydrophobicContact CG1-CG 3.47Å; V14-E133 VanDerWaalsContact CG1-CG 3.47Å; V14-E133 WeakPolarHBondContact CG1-OE1 3.23Å; E133-G135 PolarHBondContact O-N 3.25Å; E133-A136 PolarHBondContact O-N 3.09Å; E133-R137 PolarHBondContact O-N 3.33Å; E133-R137 VanDerWaalsContact O-N 3.14Å
134	E	91.6	Very high	96.7	Very high	121 Å²	121	24.8 Å²	24.8	57%	0.565	12%	0.124	S	C	*	.	H	α-helix	trans	-62.4	-43.5	179.8	-173.1	-178.8	-168.3	0	0	111.5	A136 R137 Y138	E134-A136 PolarHBondContact O-N 3.17Å; E134-R137 PolarHBondContact O-N 3.28Å; E134-R137 VanDerWaalsContact O-N 3.16Å; E134-Y138 HydrophobicContact CG-CD2 3.87Å; E134-Y138 HydrophobicContact CG-CE2 4.17Å; E134-Y138 WeakPolarHBondContact O-CD2 3.39Å; E134-Y138 PolarHBondContact O-N 3.39Å; E134-Y138 VanDerWaalsContact O-N 3.11Å
135	G	93.8	Very high	96.6	Very high	12 Å²	12	24.8 Å²	24.8	12%	0.124	12%	0.124	C	C	.	.	H	α-helix	trans	-60.8	-45	175.7	0	0	0	0	0	111.9	G131 E133 R137 Y138 G139 P140	G131-G135 VanDerWaalsContact O-CA 3.32Å; G131-G135 WeakPolarHBondContact O-CA 3.46Å; G131-G135 PolarHBondContact O-N 3.47Å; E133-G135 PolarHBondContact O-N 3.25Å; G135-R137 PolarHBondContact O-N 2.84Å; G135-Y138 PolarHBondContact O-N 2.94Å; G135-G139 CarbonylContact O-C 3.53Å; G135-G139 WeakPolarHBondContact O-CA 3.41Å; G135-G139 PolarHBondContact O-N 2.66Å; G135-P140 WeakPolarHBondContact O-CD 3.27Å
136	A	96.2	Very high	96.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58	-36.9	176.1	0	0	0	0	0	112.5	M15 N18 N22 G132 E133 E134	M15-A136 HydrophobicContact CE-CB 3.76Å; M15-A136 HydrophobicContact SD-CB 4.14Å; N18-A136 HydrophobicContact CB-CB 3.79Å; N22-A136 WeakPolarHBondContact CB-O 2.96Å; N22-A136 PolarHBondContact ND2-O 3.12Å; G132-A136 WeakPolarHBondContact O-CB 3.36Å; G132-A136 PolarHBondContact O-N 3.3Å; E133-A136 PolarHBondContact O-N 3.09Å; E134-A136 PolarHBondContact O-N 3.17Å
137	R	98	Very high	96.6	Very high	48 Å²	48	24.9 Å²	24.9	18%	0.181	13%	0.125	C	C	.	.	H	α-helix	trans	-73.7	-38.8	-175.9	-176.5	58.7	-171.5	89	-6.8	114.1	N18 N22 D25 E133 E134 G135	N18-R137 HydrophobicContact CB-CB 4Å; N18-R137 WeakPolarHBondContact OD1-CB 3.36Å; N18-R137 WeakPolarHBondContact OD1-CD 3.41Å; N22-R137 VanDerWaalsContact CB-O 3.31Å; N22-R137 WeakPolarHBondContact CB-O 3.44Å; D25-R137 IonicContact OD1-NH2 2.93Å; D25-R137 IonicContact OD2-CZ 3.56Å; D25-R137 IonicContact OD2-NH1 3.56Å; D25-R137 PolarHBondContact OD2-NH1 3.12Å; D25-R137 IonicContact OD2-NH2 3.9Å; D25-R137 PolarHBondContact OD2-NH2 3.4Å; E133-R137 PolarHBondContact O-N 3.33Å; E133-R137 VanDerWaalsContact O-N 3.14Å; E134-R137 PolarHBondContact O-N 3.28Å; E134-R137 VanDerWaalsContact O-N 3.16Å; G135-R137 PolarHBondContact O-N 2.84Å
138	Y	97.3	Very high	96.6	Very high	160 Å²	160	28.7 Å²	28.7	63%	0.627	15%	0.148	S	C	*	.	H	α-helix	trans	-117.6	-16.7	-169.5	-58.5	-63.7	0	0	0	114.5	E134 G135	E134-Y138 HydrophobicContact CG-CD2 3.87Å; E134-Y138 HydrophobicContact CG-CE2 4.17Å; E134-Y138 WeakPolarHBondContact O-CD2 3.39Å; E134-Y138 PolarHBondContact O-N 3.39Å; E134-Y138 VanDerWaalsContact O-N 3.11Å; G135-Y138 PolarHBondContact O-N 2.94Å
139	G	98	Very high	96.6	Very high	6 Å²	6	33.3 Å²	33.3	6%	0.062	17%	0.17	C	C	.	.			trans	158.9	91.2	-178.2	0	0	0	0	0	112.7	G135 V161 A163 G368	G135-G139 CarbonylContact O-C 3.53Å; G135-G139 WeakPolarHBondContact O-CA 3.41Å; G135-G139 PolarHBondContact O-N 2.66Å; G139-V161 WeakPolarHBondContact CA-O 3.2Å; G139-A163 WeakPolarHBondContact O-CB 3.47Å; G139-G368 WeakPolarHBondContact O-CA 3.37Å
140	P	98.4	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.			trans	-81	166.7	174.8	31.1	-31.5	0	0	0	110.5	L19 V129 S130 G135 L142 V161 A162 A163	L19-P140 HydrophobicContact CD1-CG 4.08Å; V129-P140 HydrophobicContact CG1-CB 3.98Å; V129-P140 HydrophobicContact CG1-CG 4.38Å; S130-P140 VanDerWaalsContact O-CA 3.3Å; S130-P140 WeakPolarHBondContact O-CA 3.49Å; S130-P140 VanDerWaalsContact O-CB 3.24Å; S130-P140 WeakPolarHBondContact O-CB 3.44Å; G135-P140 WeakPolarHBondContact O-CD 3.27Å; P140-L142 HydrophobicContact CB-CD2 4.5Å; P140-L142 HydrophobicContact CG-CD1 4.38Å; P140-L142 HydrophobicContact CG-CD2 4.05Å; P140-L142 HydrophobicContact CG-CG 4.09Å; P140-V161 VanDerWaalsContact CD-O 3.28Å; P140-V161 WeakPolarHBondContact CD-O 3.25Å; P140-A162 CarbonylContact O-C 3.51Å; P140-A162 VanDerWaalsContact O-CA 3.29Å; P140-A162 WeakPolarHBondContact O-CA 3.38Å; P140-A163 PolarHBondContact O-N 3.05Å
141	S	98.7	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.2	158.1	177.3	0	0	0	0	108.9	S130 M143 M364	S130-S141 PolarHBondContact N-O 2.76Å; S130-S141 PolarHBondContact O-N 3.3Å; S141-M143 WeakPolarHBondContact OG-CE 2.87Å; S141-M364 WeakPolarHBondContact CB-O 3.47Å; S141-M364 PolarHBondContact OG-O 3.43Å
142	L	98.8	Very high	96.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.4	-176	-64.7	171	0	0	0	110.1	G128 V129 P140 P144 L158 V161 A162 C170 C171 M364	G128-L142 CarbonylContact O-C 2.9Å; G128-L142 WeakPolarHBondContact O-CA 3.45Å; V129-L142 HydrophobicContact CB-CD2 4.15Å; V129-L142 HydrophobicContact CG1-CD2 3.91Å; V129-L142 HydrophobicContact CG2-CD2 3.7Å; P140-L142 HydrophobicContact CB-CD2 4.5Å; P140-L142 HydrophobicContact CG-CD1 4.38Å; P140-L142 HydrophobicContact CG-CD2 4.05Å; P140-L142 HydrophobicContact CG-CG 4.09Å; L142-P144 VanDerWaalsContact C-CD 3.41Å; L142-P144 VanDerWaalsContact O-CD 3.29Å; L142-P144 WeakPolarHBondContact O-CD 3.3Å; L142-L158 HydrophobicContact CD1-CB 3.97Å; L142-L158 HydrophobicContact CD1-CD2 4.1Å; L142-L158 VanDerWaalsContact CD1-O 3.27Å; L142-L158 WeakPolarHBondContact CD1-O 3.34Å; L142-V161 HydrophobicContact CD1-CG2 3.86Å; L142-A162 HydrophobicContact CD1-CB 4.24Å; L142-C170 PolarHBondContact N-O 2.88Å; L142-C170 VanDerWaalsContact N-O 3.08Å; L142-C171 HydrophobicContact CB-CB 3.94Å; L142-C171 WeakPolarHBondContact O-CA 3.26Å; L142-M364 VanDerWaalsContact O-SD 3.34Å
143	M	98.7	Very high	97.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	69.3	-170.6	-54.7	168.9	-154.5	0	0	110.1	G128 S141 V174 G180 V183 K184 H187 M364 W365	G128-M143 PolarHBondContact N-O 2.84Å; G128-M143 VanDerWaalsContact N-O 3.16Å; G128-M143 PolarHBondContact O-N 3.07Å; S141-M143 WeakPolarHBondContact OG-CE 2.87Å; M143-V174 HydrophobicContact CB-CG2 4.06Å; M143-G180 CarbonylContact O-C 3.59Å; M143-G180 WeakPolarHBondContact O-CA 3.46Å; M143-V183 HydrophobicContact CG-CG1 4.41Å; M143-V183 HydrophobicContact SD-CG1 3.82Å; M143-K184 HydrophobicContact CE-CD 4.19Å; M143-K184 HydrophobicContact SD-CB 4.01Å; M143-K184 HydrophobicContact SD-CD 4.16Å; M143-H187 HydrophobicContact CE-CB 4.35Å; M143-M364 HydrophobicContact CG-CE 4.34Å; M143-M364 HydrophobicContact CG-SD 4.33Å; M143-W365 VanDerWaalsContact CE-CD1 3.49Å; M143-W365 VanDerWaalsContact CE-NE1 3.29Å
144	P	98.7	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	128.8	-177.2	29.3	-34.7	0	0	0	112.7	I125 C127 L142 W151 L158 Q172 W173 V174	I125-P144 HydrophobicContact CG2-CB 3.99Å; C127-P144 HydrophobicContact CB-CB 4.41Å; L142-P144 VanDerWaalsContact C-CD 3.41Å; L142-P144 VanDerWaalsContact O-CD 3.29Å; L142-P144 WeakPolarHBondContact O-CD 3.3Å; P144-W151 HydrophobicContact CB-CE3 4.46Å; P144-W151 HydrophobicContact CB-CZ3 4.16Å; P144-W151 HydrophobicContact CG-CE3 4.1Å; P144-W151 HydrophobicContact CG-CH2 3.98Å; P144-W151 HydrophobicContact CG-CZ3 3.46Å; P144-W151 VanDerWaalsContact CG-CZ3 3.46Å; P144-L158 HydrophobicContact CB-CD1 4.22Å; P144-L158 HydrophobicContact CG-CD1 4.37Å; P144-Q172 VanDerWaalsContact CD-O 3.32Å; P144-Q172 WeakPolarHBondContact CD-O 3.43Å; P144-Q172 WeakPolarHBondContact CG-O 3.5Å; P144-W173 HydrophobicContact CB-CE3 4.39Å; P144-W173 HydrophobicContact CB-CZ3 4.42Å; P144-V174 WeakPolarHBondContact O-CB 3.33Å; P144-V174 WeakPolarHBondContact O-CG2 3.38Å; P144-V174 PolarHBondContact O-N 3.48Å
145	G	98.7	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160	165.2	0	0	0	0	0	111.6	I125 G126 G175 D177	I125-G145 CarbonylContact C-O 3.24Å; I125-G145 VanDerWaalsContact CA-O 3.31Å; I125-G145 WeakPolarHBondContact CA-O 3.37Å; I125-G145 WeakPolarHBondContact CG2-O 3.47Å; G126-G145 PolarHBondContact N-O 3.29Å; G126-G145 PolarHBondContact O-N 2.88Å; G126-G145 VanDerWaalsContact O-O 3.14Å; G145-G175 CarbonylContact C-O 3.59Å; G145-G175 WeakPolarHBondContact CA-O 3.29Å; G145-D177 CarbonylContact C-O 3.24Å
146	G	98.5	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.5	-128.2	-176.1	0	0	0	0	0	113.6	Y114 Y124 V148 W173 G175 C176 D177	Y114-G146 VanDerWaalsContact CE2-C 3.5Å; Y124-G146 WeakPolarHBondContact O-CA 3.41Å; G146-V148 PolarHBondContact O-N 2.98Å; G146-W173 VanDerWaalsContact N-CH2 3.29Å; G146-W173 WeakPolarHBondContact O-CZ2 3.49Å; G146-G175 PolarHBondContact N-O 2.95Å; G146-C176 WeakPolarHBondContact O-CA 3.35Å; G146-D177 WeakPolarHBondContact CA-O 3.46Å; G146-D177 PolarHBondContact N-O 3.36Å; G146-D177 PolarHBondContact O-N 3.27Å
147	A	98.1	Very high	98.3	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.017	17%	0.169	C	C	.	.			trans	-75.1	109.6	175.7	0	0	0	0	0	111.6	Y114 H123 Y124 I125 E149 A150 W173	Y114-A147 HydrophobicContact CE2-CB 3.96Å; H123-A147 HydrophobicContact CB-CB 3.77Å; Y124-A147 PolarHBondContact O-N 3.24Å; I125-A147 HydrophobicContact CD1-CB 4.34Å; I125-A147 VanDerWaalsContact CD1-O 3.28Å; I125-A147 WeakPolarHBondContact CD1-O 3.43Å; A147-E149 PolarHBondContact O-N 3.25Å; A147-A150 HydrophobicContact CB-CB 4.46Å; A147-A150 WeakPolarHBondContact O-CB 3.45Å; A147-A150 PolarHBondContact O-N 2.56Å; A147-W173 WeakPolarHBondContact O-CH2 3.49Å
148	V	97.6	Very high	98.3	Very high	81 Å²	81	31.1 Å²	31.1	49%	0.491	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-60.7	-28.8	-179	66.7	0	0	0	0	112.2	G146 A150 W151 W173	G146-V148 PolarHBondContact O-N 2.98Å; V148-A150 PolarHBondContact O-N 3.43Å; V148-W151 VanDerWaalsContact O-CB 3.3Å; V148-W151 WeakPolarHBondContact O-CB 3.39Å; V148-W151 PolarHBondContact O-N 2.97Å; V148-W151 VanDerWaalsContact O-N 3.07Å; V148-W173 VanDerWaalsContact CA-CZ2 3.48Å; V148-W173 HydrophobicContact CB-CZ2 3.86Å; V148-W173 HydrophobicContact CG2-CZ2 4.33Å
149	E	97.8	Very high	98.4	Very high	96 Å²	96	26.2 Å²	26.2	45%	0.449	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-63.2	-26.7	176.9	-55.6	85.7	169.7	0	0	112.4	A147 P152 H153	A147-E149 PolarHBondContact O-N 3.25Å; E149-P152 WeakPolarHBondContact O-CD 3.35Å; E149-H153 PolarHBondContact O-CD2 3.43Å
150	A	98.2	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-79.2	-21	175.8	0	0	0	0	0	113.2	I98 H123 I125 A147 V148 H153 I154	I98-A150 HydrophobicContact CD1-CB 3.87Å; I98-A150 HydrophobicContact CG1-CB 3.9Å; I98-A150 HydrophobicContact CG2-CB 3.92Å; H123-A150 HydrophobicContact CB-CB 3.78Å; I125-A150 HydrophobicContact CD1-CB 3.83Å; I125-A150 HydrophobicContact CG1-CB 3.99Å; A147-A150 HydrophobicContact CB-CB 4.46Å; A147-A150 WeakPolarHBondContact O-CB 3.45Å; A147-A150 PolarHBondContact O-N 2.56Å; V148-A150 PolarHBondContact O-N 3.43Å; A150-H153 WeakPolarHBondContact O-CB 3.33Å; A150-H153 PolarHBondContact O-N 2.96Å; A150-I154 PolarHBondContact O-N 2.8Å
151	W	98.5	Very high	98.4	Very high	41 Å²	41	28 Å²	28	16%	0.155	16%	0.155	C	C	.	.	H	α-helix	trans	-55.7	-47.7	-172.7	178.2	-123.8	0	0	0	113.3	P144 V148 H153 I154 A155 L158 Q159 W173	P144-W151 HydrophobicContact CB-CE3 4.46Å; P144-W151 HydrophobicContact CB-CZ3 4.16Å; P144-W151 HydrophobicContact CG-CE3 4.1Å; P144-W151 HydrophobicContact CG-CH2 3.98Å; P144-W151 HydrophobicContact CG-CZ3 3.46Å; P144-W151 VanDerWaalsContact CG-CZ3 3.46Å; V148-W151 VanDerWaalsContact O-CB 3.3Å; V148-W151 WeakPolarHBondContact O-CB 3.39Å; V148-W151 PolarHBondContact O-N 2.97Å; V148-W151 VanDerWaalsContact O-N 3.07Å; W151-H153 PolarHBondContact O-N 3.39Å; W151-H153 VanDerWaalsContact O-N 3.1Å; W151-I154 HydrophobicContact CE3-CD1 4.1Å; W151-I154 HydrophobicContact CE3-CG1 3.77Å; W151-I154 HydrophobicContact CZ3-CG1 4.19Å; W151-I154 PolarHBondContact O-N 2.95Å; W151-I154 VanDerWaalsContact O-N 3.1Å; W151-A155 HydrophobicContact CD2-CB 3.77Å; W151-A155 HydrophobicContact CE3-CB 3.92Å; W151-A155 HydrophobicContact CG-CB 4.49Å; W151-A155 HydrophobicContact CH2-CB 3.65Å; W151-A155 HydrophobicContact CZ2-CB 3.49Å; W151-A155 VanDerWaalsContact CZ2-CB 3.49Å; W151-A155 HydrophobicContact CZ3-CB 3.84Å; W151-A155 VanDerWaalsContact O-CB 3.25Å; W151-A155 WeakPolarHBondContact O-CB 3.47Å; W151-A155 PolarHBondContact O-N 3.23Å; W151-L158 HydrophobicContact CZ3-CD1 4.25Å; W151-Q159 HydrophobicContact CH2-CG 4.28Å; W151-W173 HydrophobicContact CB-CD2 4.31Å; W151-W173 HydrophobicContact CB-CE3 3.85Å; W151-W173 HydrophobicContact CB-CZ3 4.12Å; W151-W173 HydrophobicContact CD2-CB 4.19Å; W151-W173 AromaticContact CD2-CE3 3.89Å; W151-W173 HydrophobicContact CD2-CE3 3.89Å; W151-W173 AromaticContact CE3-CE3 3.88Å; W151-W173 HydrophobicContact CE3-CE3 3.88Å; W151-W173 HydrophobicContact CE3-CZ3 4.46Å; W151-W173 HydrophobicContact CG-CB 4.3Å; W151-W173 HydrophobicContact CG-CD2 4.27Å; W151-W173 AromaticContact CG-CE3 3.9Å; W151-W173 HydrophobicContact CG-CE3 3.9Å; W151-W173 HydrophobicContact CG-CG 4.47Å
152	P	98.5	Very high	98.4	Very high	89 Å²	89	28 Å²	28	58%	0.578	16%	0.155	S	C	*	.	H	α-helix	trans	-59	-26.5	177.9	-24.7	35.6	0	0	0	114.2	E149 P156	E149-P152 WeakPolarHBondContact O-CD 3.35Å; P152-P156 WeakPolarHBondContact O-CD 3.34Å
153	H	98.4	Very high	98.4	Very high	84 Å²	84	28.5 Å²	28.5	39%	0.389	16%	0.16	S	C	.	.	H	α-helix	trans	-83.4	-23.2	-179.1	-61.1	-66	0	0	0	113.3	P69 R71 I98 E149 A150 W151	P69-H153 HydrophobicContact CG-CB 4.38Å; R71-H153 VanDerWaalsContact CD-O 3.23Å; R71-H153 WeakPolarHBondContact CD-O 3.11Å; I98-H153 HydrophobicContact CD1-CB 3.49Å; I98-H153 VanDerWaalsContact CD1-CB 3.49Å; E149-H153 PolarHBondContact O-CD2 3.43Å; A150-H153 WeakPolarHBondContact O-CB 3.33Å; A150-H153 PolarHBondContact O-N 2.96Å; W151-H153 PolarHBondContact O-N 3.39Å; W151-H153 VanDerWaalsContact O-N 3.1Å
154	I	98.3	Very high	98.3	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-110.7	-24.7	-176	66	175.5	0	0	0	112.9	R71 I98 I100 I125 A150 W151 I157 L158	R71-I154 HydrophobicContact CG-CG2 4.08Å; I98-I154 HydrophobicContact CD1-CG2 4.12Å; I98-I154 HydrophobicContact CG2-CG2 4.22Å; I100-I154 HydrophobicContact CD1-CB 4.36Å; I100-I154 HydrophobicContact CD1-CG2 3.8Å; I125-I154 HydrophobicContact CB-CD1 4.43Å; I125-I154 HydrophobicContact CD1-CD1 4.39Å; I125-I154 HydrophobicContact CG1-CD1 3.95Å; I125-I154 HydrophobicContact CG2-CD1 3.98Å; A150-I154 PolarHBondContact O-N 2.8Å; W151-I154 HydrophobicContact CE3-CD1 4.1Å; W151-I154 HydrophobicContact CE3-CG1 3.77Å; W151-I154 HydrophobicContact CZ3-CG1 4.19Å; W151-I154 PolarHBondContact O-N 2.95Å; W151-I154 VanDerWaalsContact O-N 3.1Å; I154-I157 PolarHBondContact O-N 3.01Å; I154-I157 VanDerWaalsContact O-N 3.09Å; I154-L158 HydrophobicContact CB-CD1 4.29Å; I154-L158 HydrophobicContact CB-CG 4.42Å; I154-L158 HydrophobicContact CD1-CD1 3.88Å; I154-L158 HydrophobicContact CG1-CD1 4.11Å; I154-L158 WeakPolarHBondContact O-CG 3.36Å; I154-L158 PolarHBondContact O-N 2.82Å
155	A	98.5	Very high	98.2	Very high	10 Å²	10	34.4 Å²	34.4	8%	0.083	19%	0.188	C	C	.	.	H	α-helix	trans	-54.2	-45.2	-177.6	0	0	0	0	0	113.3	W151 I157 L158 Q159	W151-A155 HydrophobicContact CD2-CB 3.77Å; W151-A155 HydrophobicContact CE3-CB 3.92Å; W151-A155 HydrophobicContact CG-CB 4.49Å; W151-A155 HydrophobicContact CH2-CB 3.65Å; W151-A155 HydrophobicContact CZ2-CB 3.49Å; W151-A155 VanDerWaalsContact CZ2-CB 3.49Å; W151-A155 HydrophobicContact CZ3-CB 3.84Å; W151-A155 VanDerWaalsContact O-CB 3.25Å; W151-A155 WeakPolarHBondContact O-CB 3.47Å; W151-A155 PolarHBondContact O-N 3.23Å; A155-I157 VanDerWaalsContact C-N 3.26Å; A155-I157 PolarHBondContact O-N 3.36Å; A155-L158 PolarHBondContact O-N 3.35Å; A155-Q159 VanDerWaalsContact O-CB 3.27Å; A155-Q159 WeakPolarHBondContact O-CB 3.38Å; A155-Q159 WeakPolarHBondContact O-CG 3.33Å; A155-Q159 PolarHBondContact O-N 3.13Å
156	P	98.4	Very high	97.9	Very high	72 Å²	72	39.7 Å²	39.7	47%	0.468	22%	0.216	S	C	.	.	H	α-helix	trans	-60.1	-35.8	179.1	-24.9	35.7	0	0	0	113.1	P152 S160	P152-P156 WeakPolarHBondContact O-CD 3.34Å; P156-S160 WeakPolarHBondContact O-CB 3.32Å; P156-S160 PolarHBondContact O-N 3.29Å; P156-S160 PolarHBondContact O-OG 2.86Å
157	I	98.6	Very high	97.8	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-73.6	-54.3	178	-56	177.7	0	0	0	109.4	D6 I7 M23 F28 I154 A155 Q159 S160 V161	D6-I157 HydrophobicContact CB-CD1 4.5Å; I7-I157 HydrophobicContact CB-CD1 4.11Å; I7-I157 HydrophobicContact CD1-CD1 4.41Å; I7-I157 HydrophobicContact CG2-CD1 4.39Å; M23-I157 HydrophobicContact CE-CG2 4.19Å; M23-I157 HydrophobicContact CG-CG2 4.21Å; M23-I157 HydrophobicContact SD-CG2 4.43Å; F28-I157 HydrophobicContact CD1-CG1 3.94Å; F28-I157 HydrophobicContact CD2-CG2 4.22Å; F28-I157 HydrophobicContact CE1-CB 4.48Å; F28-I157 HydrophobicContact CE1-CG1 3.7Å; F28-I157 HydrophobicContact CE2-CB 4.42Å; F28-I157 HydrophobicContact CE2-CG1 4.48Å; F28-I157 HydrophobicContact CE2-CG2 4.3Å; F28-I157 HydrophobicContact CG-CG1 4.43Å; F28-I157 HydrophobicContact CG-CG2 4.48Å; F28-I157 HydrophobicContact CZ-CB 4.29Å; F28-I157 HydrophobicContact CZ-CG1 4Å; I154-I157 PolarHBondContact O-N 3.01Å; I154-I157 VanDerWaalsContact O-N 3.09Å; A155-I157 VanDerWaalsContact C-N 3.26Å; A155-I157 PolarHBondContact O-N 3.36Å; I157-Q159 PolarHBondContact O-N 3.27Å; I157-S160 PolarHBondContact O-N 3.15Å; I157-V161 WeakPolarHBondContact O-CG2 3.19Å; I157-V161 PolarHBondContact O-N 2.85Å; I157-V161 VanDerWaalsContact O-N 3.1Å
158	L	98.7	Very high	97.7	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-42	-173.6	-62.6	-172.7	0	0	0	112.2	L142 P144 W151 I154 A155 V161 A162	L142-L158 HydrophobicContact CD1-CB 3.97Å; L142-L158 HydrophobicContact CD1-CD2 4.1Å; L142-L158 VanDerWaalsContact CD1-O 3.27Å; L142-L158 WeakPolarHBondContact CD1-O 3.34Å; P144-L158 HydrophobicContact CB-CD1 4.22Å; P144-L158 HydrophobicContact CG-CD1 4.37Å; W151-L158 HydrophobicContact CZ3-CD1 4.25Å; I154-L158 HydrophobicContact CB-CD1 4.29Å; I154-L158 HydrophobicContact CB-CG 4.42Å; I154-L158 HydrophobicContact CD1-CD1 3.88Å; I154-L158 HydrophobicContact CG1-CD1 4.11Å; I154-L158 WeakPolarHBondContact O-CG 3.36Å; I154-L158 PolarHBondContact O-N 2.82Å; A155-L158 PolarHBondContact O-N 3.35Å; L158-V161 PolarHBondContact O-N 2.85Å; L158-A162 WeakPolarHBondContact O-CB 3.47Å; L158-A162 PolarHBondContact O-N 3.45Å
159	Q	98.7	Very high	97.7	Very high	57 Å²	57	47.2 Å²	47.2	27%	0.266	26%	0.257	S	S	.	.	H	α-helix	trans	-71.1	-32.9	177.8	-69.1	-175.8	-38	0	0	112.4	W151 A155 I157 P169 C171	W151-Q159 HydrophobicContact CH2-CG 4.28Å; A155-Q159 VanDerWaalsContact O-CB 3.27Å; A155-Q159 WeakPolarHBondContact O-CB 3.38Å; A155-Q159 WeakPolarHBondContact O-CG 3.33Å; A155-Q159 PolarHBondContact O-N 3.13Å; I157-Q159 PolarHBondContact O-N 3.27Å; Q159-P169 HydrophobicContact CB-CB 3.97Å; Q159-P169 HydrophobicContact CB-CG 3.96Å; Q159-P169 HydrophobicContact CG-CB 4.23Å; Q159-P169 HydrophobicContact CG-CG 3.97Å; Q159-C171 HydrophobicContact CG-CB 4.18Å; Q159-C171 PolarHBondContact NE2-O 3.34Å; Q159-C171 VanDerWaalsContact NE2-O 3.14Å
160	S	98.4	Very high	97.8	Very high	43 Å²	43	42.7 Å²	42.7	30%	0.301	24%	0.236	S	C	.	.	H	α-helix	trans	-65.2	-40.5	175.5	-66.7	0	0	0	0	111.8	H26 P156 I157 K164	H26-S160 PolarHBondContact CD2-O 3.26Å; H26-S160 PolarHBondContact NE2-O 2.92Å; P156-S160 WeakPolarHBondContact O-CB 3.32Å; P156-S160 PolarHBondContact O-N 3.29Å; P156-S160 PolarHBondContact O-OG 2.86Å; I157-S160 PolarHBondContact O-N 3.15Å; S160-K164 WeakPolarHBondContact O-CE 3.48Å; S160-K164 PolarHBondContact O-NZ 2.88Å
161	V	98.3	Very high	97.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-86.5	-17.9	-177.7	-57	0	0	0	0	114	L19 N22 M23 H26 G139 P140 L142 I157 L158	L19-V161 HydrophobicContact CD1-CG2 4.34Å; N22-V161 PolarHBondContact ND2-O 3.47Å; M23-V161 HydrophobicContact CB-CG1 4.22Å; M23-V161 HydrophobicContact CG-CG1 3.7Å; H26-V161 HydrophobicContact CB-CG1 4.31Å; G139-V161 WeakPolarHBondContact CA-O 3.2Å; P140-V161 VanDerWaalsContact CD-O 3.28Å; P140-V161 WeakPolarHBondContact CD-O 3.25Å; L142-V161 HydrophobicContact CD1-CG2 3.86Å; I157-V161 WeakPolarHBondContact O-CG2 3.19Å; I157-V161 PolarHBondContact O-N 2.85Å; I157-V161 VanDerWaalsContact O-N 3.1Å; L158-V161 PolarHBondContact O-N 2.85Å
162	A	98.6	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-62.9	158.3	179.9	0	0	0	0	0	112.7	P140 L142 L158 K164 P169 C171	P140-A162 CarbonylContact O-C 3.51Å; P140-A162 VanDerWaalsContact O-CA 3.29Å; P140-A162 WeakPolarHBondContact O-CA 3.38Å; L142-A162 HydrophobicContact CD1-CB 4.24Å; L158-A162 WeakPolarHBondContact O-CB 3.47Å; L158-A162 PolarHBondContact O-N 3.45Å; A162-K164 VanDerWaalsContact O-CD 3.27Å; A162-K164 WeakPolarHBondContact O-CD 3.32Å; A162-K164 WeakPolarHBondContact O-CE 3.45Å; A162-K164 PolarHBondContact O-NZ 2.77Å; A162-P169 HydrophobicContact CB-CB 4.38Å; A162-C171 HydrophobicContact CB-CB 3.69Å
163	A	98.2	Very high	97.8	Very high	13 Å²	13	42 Å²	42	11%	0.107	22%	0.224	C	C	.	.			trans	-57.5	154	164	0	0	0	0	0	110.7	G139 P140 P169 C170 G368	G139-A163 WeakPolarHBondContact O-CB 3.47Å; P140-A163 PolarHBondContact O-N 3.05Å; A163-P169 CarbonylContact O-C 3.39Å; A163-P169 WeakPolarHBondContact O-CA 3.23Å; A163-C170 HydrophobicContact CB-CB 4.18Å; A163-C170 WeakPolarHBondContact O-CB 3.4Å; A163-C170 PolarHBondContact O-N 2.8Å; A163-G368 VanDerWaalsContact CB-CA 3.47Å; A163-G368 VanDerWaalsContact CB-N 3.35Å
164	K	97.7	Very high	97.8	Very high	93 Å²	93	38.3 Å²	38.3	40%	0.404	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137	175.2	-60.5	90.1	-177.3	165	0	109.5	H26 S160 A162 V168	H26-K164 PolarHBondContact NE2-NZ 3.22Å; S160-K164 WeakPolarHBondContact O-CE 3.48Å; S160-K164 PolarHBondContact O-NZ 2.88Å; A162-K164 VanDerWaalsContact O-CD 3.27Å; A162-K164 WeakPolarHBondContact O-CD 3.32Å; A162-K164 WeakPolarHBondContact O-CE 3.45Å; A162-K164 PolarHBondContact O-NZ 2.77Å; K164-V168 VanDerWaalsContact CA-O 3.32Å; K164-V168 WeakPolarHBondContact CA-O 3.37Å
165	V	95.4	Very high	97.7	Very high	30 Å²	30	38.5 Å²	38.5	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125	171.4	-177.9	0	0	0	0	106.9	N167 V168 R366	V165-N167 PolarHBondContact O-N 2.97Å; V165-V168 PolarHBondContact N-O 3.11Å; V165-V168 WeakPolarHBondContact O-CB 3.48Å; V165-V168 PolarHBondContact O-N 2.77Å; V165-R366 HydrophobicContact CB-CB 4.49Å; V165-R366 HydrophobicContact CG1-CB 4.47Å; V165-R366 VanDerWaalsContact CG1-CZ 3.42Å; V165-R366 VanDerWaalsContact CG1-NH2 3.32Å; V165-R366 HydrophobicContact CG2-CB 4.12Å
166	D	93.5	Very high	97.6	Very high	111 Å²	111	40.6 Å²	40.6	59%	0.594	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	39.2	-173.4	-45.6	-42.1	0	0	0	112.5	V168 R366	D166-V168 PolarHBondContact O-N 2.87Å; D166-V168 VanDerWaalsContact O-N 3.11Å; D166-R366 IonicContact OD2-CZ 3.51Å; D166-R366 VanDerWaalsContact OD2-CZ 3.28Å; D166-R366 IonicContact OD2-NH1 3.39Å; D166-R366 PolarHBondContact OD2-NH1 2.65Å; D166-R366 IonicContact OD2-NH2 2.72Å; D166-R366 PolarHBondContact OD2-NH2 3.23Å
167	N	95.2	Very high	97.6	Very high	160 Å²	160	37.4 Å²	37.4	86%	0.856	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	7.5	-172.1	-60.9	-43.8	0	0	0	115.9	V165	V165-N167 PolarHBondContact O-N 2.97Å
168	V	96.6	Very high	97.6	Very high	59 Å²	59	37 Å²	37	36%	0.358	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125	174.2	-174	0	0	0	0	109.3	K164 V165 D166 M363	K164-V168 VanDerWaalsContact CA-O 3.32Å; K164-V168 WeakPolarHBondContact CA-O 3.37Å; V165-V168 PolarHBondContact N-O 3.11Å; V165-V168 WeakPolarHBondContact O-CB 3.48Å; V165-V168 PolarHBondContact O-N 2.77Å; D166-V168 PolarHBondContact O-N 2.87Å; D166-V168 VanDerWaalsContact O-N 3.11Å; V168-M363 HydrophobicContact CB-SD 4.39Å; V168-M363 HydrophobicContact CG1-CE 3.82Å; V168-M363 HydrophobicContact CG1-CG 4.22Å; V168-M363 HydrophobicContact CG1-SD 3.66Å
169	P	98.2	Very high	97.6	Very high	23 Å²	23	37 Å²	37	15%	0.149	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	136	177.3	27.9	-34	0	0	0	110.3	Q159 A162 A163 C171 M363	Q159-P169 HydrophobicContact CB-CB 3.97Å; Q159-P169 HydrophobicContact CB-CG 3.96Å; Q159-P169 HydrophobicContact CG-CB 4.23Å; Q159-P169 HydrophobicContact CG-CG 3.97Å; A162-P169 HydrophobicContact CB-CB 4.38Å; A163-P169 CarbonylContact O-C 3.39Å; A163-P169 WeakPolarHBondContact O-CA 3.23Å; P169-C171 PolarHBondContact O-N 3.37Å; P169-M363 VanDerWaalsContact O-CE 3.24Å; P169-M363 WeakPolarHBondContact O-CE 3.22Å; P169-M363 VanDerWaalsContact O-SD 3.39Å
170	C	98.5	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-74	48.5	172.8	-66.4	0	0	0	0	111.2	L142 A163 M364 G367	L142-C170 PolarHBondContact N-O 2.88Å; L142-C170 VanDerWaalsContact N-O 3.08Å; A163-C170 HydrophobicContact CB-CB 4.18Å; A163-C170 WeakPolarHBondContact O-CB 3.4Å; A163-C170 PolarHBondContact O-N 2.8Å; C170-M364 WeakPolarHBondContact CB-O 3.42Å; C170-G367 PolarHBondContact SG-N 3.03Å
171	C	98.6	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-155.6	114.4	-176.7	179.3	0	0	0	0	109.9	L142 Q159 A162 P169	L142-C171 HydrophobicContact CB-CB 3.94Å; L142-C171 WeakPolarHBondContact O-CA 3.26Å; Q159-C171 HydrophobicContact CG-CB 4.18Å; Q159-C171 PolarHBondContact NE2-O 3.34Å; Q159-C171 VanDerWaalsContact NE2-O 3.14Å; A162-C171 HydrophobicContact CB-CB 3.69Å; P169-C171 PolarHBondContact O-N 3.37Å
172	Q	97.8	Very high	97.6	Very high	52 Å²	52	32.4 Å²	32.4	24%	0.243	17%	0.174	C	C	.	.			trans	-138.5	158.4	176	-64.4	-62.4	-28.2	0	0	109.7	P144 V174 M363 M364	P144-Q172 VanDerWaalsContact CD-O 3.32Å; P144-Q172 WeakPolarHBondContact CD-O 3.43Å; P144-Q172 WeakPolarHBondContact CG-O 3.5Å; Q172-V174 PolarHBondContact O-N 3.47Å; Q172-M363 HydrophobicContact CG-CE 3.35Å; Q172-M364 HydrophobicContact CB-CG 4.33Å; Q172-M364 HydrophobicContact CB-SD 4.09Å; Q172-M364 HydrophobicContact CG-CG 4.45Å; Q172-M364 PolarHBondContact N-SD 3.31Å
173	W	98.5	Very high	97.6	Very high	63 Å²	63	32.4 Å²	32.4	24%	0.239	17%	0.174	C	C	.	.			trans	-61.7	125.4	170.7	-175.6	-111.2	0	0	0	110.5	I125 P144 G146 A147 V148 W151 G175	I125-W173 HydrophobicContact CD1-CH2 3.72Å; I125-W173 HydrophobicContact CD1-CZ3 3.79Å; P144-W173 HydrophobicContact CB-CE3 4.39Å; P144-W173 HydrophobicContact CB-CZ3 4.42Å; G146-W173 VanDerWaalsContact N-CH2 3.29Å; G146-W173 WeakPolarHBondContact O-CZ2 3.49Å; A147-W173 WeakPolarHBondContact O-CH2 3.49Å; V148-W173 VanDerWaalsContact CA-CZ2 3.48Å; V148-W173 HydrophobicContact CB-CZ2 3.86Å; V148-W173 HydrophobicContact CG2-CZ2 4.33Å; W151-W173 HydrophobicContact CB-CD2 4.31Å; W151-W173 HydrophobicContact CB-CE3 3.85Å; W151-W173 HydrophobicContact CB-CZ3 4.12Å; W151-W173 HydrophobicContact CD2-CB 4.19Å; W151-W173 AromaticContact CD2-CE3 3.89Å; W151-W173 HydrophobicContact CD2-CE3 3.89Å; W151-W173 AromaticContact CE3-CE3 3.88Å; W151-W173 HydrophobicContact CE3-CE3 3.88Å; W151-W173 HydrophobicContact CE3-CZ3 4.46Å; W151-W173 HydrophobicContact CG-CB 4.3Å; W151-W173 HydrophobicContact CG-CD2 4.27Å; W151-W173 AromaticContact CG-CE3 3.9Å; W151-W173 HydrophobicContact CG-CE3 3.9Å; W151-W173 HydrophobicContact CG-CG 4.47Å; W173-G175 WeakPolarHBondContact CZ2-O 3.32Å
174	V	98.5	Very high	97.6	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.042	17%	0.171	C	C	.	.			trans	-91.5	-43.5	-174.5	-177	0	0	0	0	112.1	M143 P144 Q172 A179 V183 F356 M364	M143-V174 HydrophobicContact CB-CG2 4.06Å; P144-V174 WeakPolarHBondContact O-CB 3.33Å; P144-V174 WeakPolarHBondContact O-CG2 3.38Å; P144-V174 PolarHBondContact O-N 3.48Å; Q172-V174 PolarHBondContact O-N 3.47Å; V174-A179 HydrophobicContact CG1-CB 4.14Å; V174-V183 HydrophobicContact CG1-CB 4.1Å; V174-V183 HydrophobicContact CG1-CG2 3.42Å; V174-V183 VanDerWaalsContact CG1-CG2 3.42Å; V174-F356 HydrophobicContact CG1-CD1 4.19Å; V174-F356 HydrophobicContact CG1-CE1 3.84Å; V174-F356 WeakPolarHBondContact O-CD1 3.34Å; V174-M364 HydrophobicContact CG2-CE 3.66Å; V174-M364 HydrophobicContact CG2-SD 4.17Å
175	G	97.6	Very high	97.6	Very high	7 Å²	7	28.3 Å²	28.3	7%	0.072	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-175.9	-174.3	0	0	0	0	0	112.4	G145 G146 W173	G145-G175 CarbonylContact C-O 3.59Å; G145-G175 WeakPolarHBondContact CA-O 3.29Å; G146-G175 PolarHBondContact N-O 2.95Å; W173-G175 WeakPolarHBondContact CZ2-O 3.32Å
176	C	96.5	Very high	97.7	Very high	53 Å²	53	26.9 Å²	26.9	36%	0.358	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	171	179.9	61.3	0	0	0	0	112.9	G146 G178 A179	G146-C176 WeakPolarHBondContact O-CA 3.35Å; C176-G178 PolarHBondContact O-N 3.09Å; C176-A179 WeakPolarHBondContact O-CB 3.37Å; C176-A179 PolarHBondContact O-N 3.02Å
177	D	97.5	Very high	97.9	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.032	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	41	-109.8	174.1	70.9	12.6	0	0	0	116.1	R111 Y114 G145 G146 W354	R111-D177 HydrophobicContact CB-CB 4.48Å; R111-D177 HydrophobicContact CG-CB 3.97Å; R111-D177 IonicContact CZ-OD2 3.64Å; R111-D177 IonicContact NE-OD1 2.7Å; R111-D177 IonicContact NE-OD2 3.69Å; R111-D177 PolarHBondContact NE-OD2 3.4Å; R111-D177 IonicContact NH2-OD2 3.53Å; Y114-D177 HydrophobicContact CD1-CB 3.48Å; Y114-D177 VanDerWaalsContact CD1-CB 3.48Å; Y114-D177 HydrophobicContact CD2-CB 4.48Å; Y114-D177 HydrophobicContact CE1-CB 3.97Å; Y114-D177 HydrophobicContact CG-CB 3.79Å; G145-D177 CarbonylContact C-O 3.24Å; G146-D177 WeakPolarHBondContact CA-O 3.46Å; G146-D177 PolarHBondContact N-O 3.36Å; G146-D177 PolarHBondContact O-N 3.27Å; D177-W354 VanDerWaalsContact OD1-CZ2 3.22Å; D177-W354 WeakPolarHBondContact OD1-CZ2 3.47Å; D177-W354 PolarHBondContact OD1-NE1 3.15Å
178	G	98.2	Very high	98	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1.6	-176.4	0	0	0	0	0	115	C176 G180 H181 Y182	C176-G178 PolarHBondContact O-N 3.09Å; G178-G180 VanDerWaalsContact C-N 3.3Å; G178-G180 PolarHBondContact O-N 2.94Å; G178-H181 PolarHBondContact O-N 2.99Å; G178-Y182 PolarHBondContact O-N 2.9Å
179	A	98.6	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-49.8	-45.4	-174	0	0	0	0	0	113.8	V174 C176 Y182 V183 W354 F356	V174-A179 HydrophobicContact CG1-CB 4.14Å; C176-A179 WeakPolarHBondContact O-CB 3.37Å; C176-A179 PolarHBondContact O-N 3.02Å; A179-Y182 WeakPolarHBondContact O-CB 3.45Å; A179-Y182 PolarHBondContact O-N 3.16Å; A179-V183 WeakPolarHBondContact O-CG2 3.27Å; A179-V183 PolarHBondContact O-N 3.26Å; A179-W354 HydrophobicContact CB-CD2 4.06Å; A179-W354 HydrophobicContact CB-CG 4.33Å; A179-W354 HydrophobicContact CB-CZ2 4.35Å; A179-F356 HydrophobicContact CB-CE1 3.89Å; A179-F356 HydrophobicContact CB-CZ 4.47Å
180	G	98.6	Very high	98.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.9	-47.1	-179.2	0	0	0	0	0	113.5	M143 G178 Y182 V183 K184	M143-G180 CarbonylContact O-C 3.59Å; M143-G180 WeakPolarHBondContact O-CA 3.46Å; G178-G180 VanDerWaalsContact C-N 3.3Å; G178-G180 PolarHBondContact O-N 2.94Å; G180-Y182 VanDerWaalsContact C-N 3.33Å; G180-V183 PolarHBondContact O-N 2.88Å; G180-K184 PolarHBondContact O-N 3.42Å; G180-K184 VanDerWaalsContact O-N 3.09Å
181	H	98.4	Very high	98.1	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.019	6%	0.062	C	C	.	.	H	α-helix	trans	-69.6	-30.3	175.3	-75.3	158.1	0	0	0	112.8	D101 G103 F107 T110 G126 C127 G178 K184 M185	D101-H181 PolarHBondContact O-CE1 3.36Å; D101-H181 PolarHBondContact O-NE2 3.29Å; D101-H181 VanDerWaalsContact O-NE2 3.15Å; D101-H181 IonicContact OD2-CE1 2.81Å; G103-H181 PolarHBondContact O-NE2 3.34Å; F107-H181 HydrophobicContact CB-CB 4.32Å; T110-H181 PolarHBondContact OG1-ND1 2.81Å; G126-H181 WeakPolarHBondContact CA-CE1 3.29Å; C127-H181 PolarHBondContact N-NE2 3Å; G178-H181 PolarHBondContact O-N 2.99Å; H181-K184 PolarHBondContact O-N 3.02Å; H181-M185 WeakPolarHBondContact O-CB 3.46Å; H181-M185 PolarHBondContact O-N 3.35Å
182	Y	98.5	Very high	98	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.7	-50.6	172.9	-164.7	-90.7	0	0	0	111.5	F107 G178 A179 G180 K184 M185 V186 S270 L274 M344 L345 A348 Y352 W354	F107-Y182 HydrophobicContact CB-CD2 4.28Å; F107-Y182 AromaticContact CD1-CD2 3.65Å; F107-Y182 HydrophobicContact CD1-CD2 3.65Å; F107-Y182 HydrophobicContact CD1-CE2 4.16Å; F107-Y182 AromaticContact CD2-CD2 3.76Å; F107-Y182 HydrophobicContact CD2-CD2 3.76Å; F107-Y182 HydrophobicContact CD2-CE2 4.49Å; F107-Y182 AromaticContact CE1-CD2 3.8Å; F107-Y182 HydrophobicContact CE1-CD2 3.8Å; F107-Y182 AromaticContact CE1-CE2 3.84Å; F107-Y182 HydrophobicContact CE1-CE2 3.84Å; F107-Y182 AromaticContact CE2-CD2 3.9Å; F107-Y182 HydrophobicContact CE2-CD2 3.9Å; F107-Y182 HydrophobicContact CE2-CE2 4.19Å; F107-Y182 AromaticContact CG-CD2 3.61Å; F107-Y182 HydrophobicContact CG-CD2 3.61Å; F107-Y182 HydrophobicContact CG-CE2 4.46Å; F107-Y182 HydrophobicContact CG-CG 4.49Å; F107-Y182 AromaticContact CZ-CD2 3.91Å; F107-Y182 HydrophobicContact CZ-CD2 3.91Å; F107-Y182 AromaticContact CZ-CE2 3.85Å; F107-Y182 HydrophobicContact CZ-CE2 3.85Å; G178-Y182 PolarHBondContact O-N 2.9Å; A179-Y182 WeakPolarHBondContact O-CB 3.45Å; A179-Y182 PolarHBondContact O-N 3.16Å; G180-Y182 VanDerWaalsContact C-N 3.33Å; Y182-K184 PolarHBondContact O-N 2.97Å; Y182-M185 HydrophobicContact CD2-CE 3.72Å; Y182-M185 HydrophobicContact CE2-CE 3.41Å; Y182-M185 VanDerWaalsContact CE2-CE 3.41Å; Y182-M185 HydrophobicContact CG-CE 4.41Å; Y182-M185 WeakPolarHBondContact O-CA 3.5Å; Y182-M185 WeakPolarHBondContact O-CB 3.47Å; Y182-M185 PolarHBondContact O-N 3.22Å; Y182-V186 HydrophobicContact CD1-CG2 3.89Å; Y182-V186 HydrophobicContact CE1-CG2 3.79Å; Y182-V186 VanDerWaalsContact O-CG2 3.23Å; Y182-V186 WeakPolarHBondContact O-CG2 3.36Å; Y182-V186 PolarHBondContact O-N 3.09Å; Y182-S270 PolarHBondContact OH-OG 2.87Å; Y182-L274 VanDerWaalsContact OH-CD1 3.23Å; Y182-L274 WeakPolarHBondContact OH-CD1 3.45Å; Y182-M344 HydrophobicContact CD1-SD 4.49Å; Y182-M344 HydrophobicContact CE1-CE 3.78Å; Y182-M344 HydrophobicContact CE1-SD 3.32Å; Y182-M344 WeakPolarHBondContact CE1-SD 3.49Å; Y182-M344 HydrophobicContact CE2-CE 4.41Å; Y182-M344 WeakPolarHBondContact OH-CE 3.47Å; Y182-M344 PolarHBondContact OH-SD 3.46Å; Y182-L345 HydrophobicContact CD1-CD2 4.18Å; Y182-L345 HydrophobicContact CE1-CD2 4.36Å; Y182-A348 HydrophobicContact CD1-CB 3.91Å; Y182-A348 HydrophobicContact CE1-CB 3.15Å; Y182-A348 HydrophobicContact CE2-CB 4.16Å; Y182-A348 WeakPolarHBondContact OH-CB 3.33Å; Y182-Y352 HydrophobicContact CE2-CE2 4.42Å; Y182-W354 AromaticContact CD1-CZ3 3.86Å; Y182-W354 HydrophobicContact CD1-CZ3 3.86Å; Y182-W354 HydrophobicContact CD2-CH2 4.05Å; Y182-W354 AromaticContact CD2-CZ3 3.93Å; Y182-W354 HydrophobicContact CD2-CZ3 3.93Å; Y182-W354 AromaticContact CG-CH2 3.89Å; Y182-W354 HydrophobicContact CG-CH2 3.89Å; Y182-W354 AromaticContact CG-CZ3 3.51Å; Y182-W354 HydrophobicContact CG-CZ3 3.51Å
183	V	98.5	Very high	98.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-57.5	-39.2	175.7	172.4	0	0	0	0	111	M143 V174 A179 G180 V186 H187 L345 F356 I361 W365	M143-V183 HydrophobicContact CG-CG1 4.41Å; M143-V183 HydrophobicContact SD-CG1 3.82Å; V174-V183 HydrophobicContact CG1-CB 4.1Å; V174-V183 HydrophobicContact CG1-CG2 3.42Å; V174-V183 VanDerWaalsContact CG1-CG2 3.42Å; A179-V183 WeakPolarHBondContact O-CG2 3.27Å; A179-V183 PolarHBondContact O-N 3.26Å; G180-V183 PolarHBondContact O-N 2.88Å; V183-V186 PolarHBondContact O-N 3.1Å; V183-H187 PolarHBondContact O-N 2.89Å; V183-L345 HydrophobicContact CG2-CD2 3.9Å; V183-F356 HydrophobicContact CG2-CE1 4Å; V183-F356 HydrophobicContact CG2-CZ 4.05Å; V183-I361 HydrophobicContact CG1-CG1 4.31Å; V183-I361 HydrophobicContact CG1-CG2 3.8Å; V183-I361 HydrophobicContact CG2-CD1 3.8Å; V183-I361 HydrophobicContact CG2-CG1 4.31Å; V183-W365 HydrophobicContact CG1-CZ2 3.58Å
184	K	98.1	Very high	98.1	Very high	10 Å²	10	7.5 Å²	7.5	4%	0.043	4%	0.043	C	C	.	.	H	α-helix	trans	-65.1	-38.6	174.8	-179.6	58.7	-166.3	-63.6	0	113.6	N104 V129 M143 G180 H181 Y182 H187 N188	N104-K184 PolarHBondContact OD1-NZ 3.23Å; V129-K184 PolarHBondContact O-NZ 2.92Å; M143-K184 HydrophobicContact CE-CD 4.19Å; M143-K184 HydrophobicContact SD-CB 4.01Å; M143-K184 HydrophobicContact SD-CD 4.16Å; G180-K184 PolarHBondContact O-N 3.42Å; G180-K184 VanDerWaalsContact O-N 3.09Å; H181-K184 PolarHBondContact O-N 3.02Å; Y182-K184 PolarHBondContact O-N 2.97Å; K184-H187 WeakPolarHBondContact O-CB 3.15Å; K184-H187 PolarHBondContact O-N 3.29Å; K184-N188 WeakPolarHBondContact CE-OD1 3.48Å; K184-N188 PolarHBondContact O-N 3.14Å; K184-N188 PolarHBondContact O-OD1 2.75Å
185	M	97.9	Very high	98.1	Very high	9 Å²	9	10.5 Å²	10.5	4%	0.044	6%	0.057	C	C	.	.	H	α-helix	trans	-62.5	-43.3	174	-179	-173.8	76.8	0	0	110.8	F107 H181 Y182 N188 G189 W266 T267 M344	F107-M185 HydrophobicContact CD1-CE 4.34Å; F107-M185 HydrophobicContact CD1-SD 4.28Å; F107-M185 HydrophobicContact CE1-CE 4.33Å; H181-M185 WeakPolarHBondContact O-CB 3.46Å; H181-M185 PolarHBondContact O-N 3.35Å; Y182-M185 HydrophobicContact CD2-CE 3.72Å; Y182-M185 HydrophobicContact CE2-CE 3.41Å; Y182-M185 VanDerWaalsContact CE2-CE 3.41Å; Y182-M185 HydrophobicContact CG-CE 4.41Å; Y182-M185 WeakPolarHBondContact O-CA 3.5Å; Y182-M185 WeakPolarHBondContact O-CB 3.47Å; Y182-M185 PolarHBondContact O-N 3.22Å; M185-N188 PolarHBondContact O-N 3.46Å; M185-G189 PolarHBondContact O-N 3.33Å; M185-W266 HydrophobicContact CG-CB 4.05Å; M185-W266 HydrophobicContact SD-CB 3.41Å; M185-W266 WeakPolarHBondContact SD-CB 3.45Å; M185-T267 PolarHBondContact O-OG1 3.32Å; M185-M344 HydrophobicContact CE-CE 3.66Å
186	V	98.1	Very high	98.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.5	-46.9	175.1	-168.3	0	0	0	0	111.3	Y182 V183 N188 G189 I190 M344 L345 W365	Y182-V186 HydrophobicContact CD1-CG2 3.89Å; Y182-V186 HydrophobicContact CE1-CG2 3.79Å; Y182-V186 VanDerWaalsContact O-CG2 3.23Å; Y182-V186 WeakPolarHBondContact O-CG2 3.36Å; Y182-V186 PolarHBondContact O-N 3.09Å; V183-V186 PolarHBondContact O-N 3.1Å; V186-N188 VanDerWaalsContact C-N 3.27Å; V186-N188 PolarHBondContact O-N 3.07Å; V186-G189 WeakPolarHBondContact O-CA 3.38Å; V186-G189 PolarHBondContact O-N 3.35Å; V186-I190 HydrophobicContact CG1-CD1 4.16Å; V186-I190 PolarHBondContact O-N 2.95Å; V186-M344 HydrophobicContact CB-CE 4.34Å; V186-M344 HydrophobicContact CB-SD 4.42Å; V186-M344 HydrophobicContact CG1-CE 4.49Å; V186-M344 HydrophobicContact CG1-SD 4.25Å; V186-M344 HydrophobicContact CG2-CE 3.43Å; V186-M344 VanDerWaalsContact CG2-CE 3.43Å; V186-M344 HydrophobicContact CG2-SD 3.38Å; V186-M344 WeakPolarHBondContact CG2-SD 3.46Å; V186-L345 HydrophobicContact CB-CD2 4.13Å; V186-L345 HydrophobicContact CB-CG 4.45Å; V186-L345 HydrophobicContact CG1-CD2 4.41Å; V186-L345 HydrophobicContact CG1-CG 4.19Å; V186-L345 HydrophobicContact CG2-CD2 3.47Å; V186-L345 VanDerWaalsContact CG2-CD2 3.47Å; V186-L345 HydrophobicContact CG2-CG 4.08Å; V186-W365 HydrophobicContact CB-CH2 4.41Å; V186-W365 HydrophobicContact CG1-CH2 4.3Å
187	H	98.1	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-50.4	-48.7	174.2	161.2	-72	0	0	0	111.2	S130 M143 V183 K184 G189 I190 E191 W365 C369	S130-H187 PolarHBondContact OG-CE1 3.33Å; S130-H187 PolarHBondContact OG-NE2 3.05Å; S130-H187 VanDerWaalsContact OG-NE2 3.07Å; M143-H187 HydrophobicContact CE-CB 4.35Å; V183-H187 PolarHBondContact O-N 2.89Å; K184-H187 WeakPolarHBondContact O-CB 3.15Å; K184-H187 PolarHBondContact O-N 3.29Å; H187-G189 VanDerWaalsContact C-N 3.32Å; H187-G189 PolarHBondContact O-N 3.49Å; H187-I190 PolarHBondContact O-N 3.32Å; H187-E191 IonicContact CE1-OE2 3.04Å; H187-E191 PolarHBondContact CE1-OE2 3.34Å; H187-E191 WeakPolarHBondContact O-CB 3.24Å; H187-E191 PolarHBondContact O-N 3.06Å; H187-W365 HydrophobicContact CB-CZ2 3.8Å; H187-W365 AromaticContact CD2-CD1 3.98Å; H187-C369 WeakPolarHBondContact NE2-CB 3.25Å
188	N	97.2	Very high	98.3	Very high	12 Å²	12	10.1 Å²	10.1	6%	0.064	5%	0.049	C	C	.	.	H	α-helix	trans	-68.2	-31.7	-179.8	-74.6	12.9	0	0	0	112.6	K184 M185 V186 E191 Y192 T263	K184-N188 WeakPolarHBondContact CE-OD1 3.48Å; K184-N188 PolarHBondContact O-N 3.14Å; K184-N188 PolarHBondContact O-OD1 2.75Å; M185-N188 PolarHBondContact O-N 3.46Å; V186-N188 VanDerWaalsContact C-N 3.27Å; V186-N188 PolarHBondContact O-N 3.07Å; N188-E191 WeakPolarHBondContact O-CB 3.24Å; N188-E191 PolarHBondContact O-N 2.9Å; N188-Y192 WeakPolarHBondContact O-CD1 3.31Å; N188-Y192 PolarHBondContact O-N 2.95Å; N188-T263 WeakPolarHBondContact ND2-CB 3.43Å; N188-T263 PolarHBondContact ND2-OG1 3.14Å
189	G	97.8	Very high	98.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.7	-49.3	171	0	0	0	0	0	111.5	M185 V186 H187 E191 Y192 G193 I281	M185-G189 PolarHBondContact O-N 3.33Å; V186-G189 WeakPolarHBondContact O-CA 3.38Å; V186-G189 PolarHBondContact O-N 3.35Å; H187-G189 VanDerWaalsContact C-N 3.32Å; H187-G189 PolarHBondContact O-N 3.49Å; G189-E191 VanDerWaalsContact C-N 3.3Å; G189-E191 PolarHBondContact O-N 3.14Å; G189-Y192 WeakPolarHBondContact O-CB 3.47Å; G189-Y192 PolarHBondContact O-N 3.39Å; G189-Y192 VanDerWaalsContact O-N 3.09Å; G189-G193 PolarHBondContact O-N 3.28Å; G189-I281 WeakPolarHBondContact O-CG1 3.12Å; G189-I281 WeakPolarHBondContact O-CG2 3.35Å
190	I	98.3	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.4	-41.8	176.2	-65.7	170.3	0	0	0	110.6	V186 H187 Y192 G193 D194 I281 Y338 W365 I371	V186-I190 HydrophobicContact CG1-CD1 4.16Å; V186-I190 PolarHBondContact O-N 2.95Å; H187-I190 PolarHBondContact O-N 3.32Å; I190-Y192 VanDerWaalsContact C-N 3.28Å; I190-Y192 PolarHBondContact O-N 3Å; I190-G193 PolarHBondContact O-N 3.1Å; I190-G193 VanDerWaalsContact O-N 3.13Å; I190-D194 PolarHBondContact O-N 2.61Å; I190-I281 HydrophobicContact CG1-CD1 3.99Å; I190-Y338 HydrophobicContact CD1-CD1 4.23Å; I190-Y338 HydrophobicContact CG2-CD1 4.14Å; I190-Y338 HydrophobicContact CG2-CD2 3.89Å; I190-Y338 HydrophobicContact CG2-CE1 3.79Å; I190-Y338 HydrophobicContact CG2-CE2 3.52Å; I190-Y338 HydrophobicContact CG2-CG 4.23Å; I190-Y338 VanDerWaalsContact CG2-CZ 3.5Å; I190-W365 HydrophobicContact CD1-CH2 3.98Å; I190-W365 HydrophobicContact CD1-CZ3 3.7Å; I190-I371 HydrophobicContact CB-CD1 4.31Å; I190-I371 HydrophobicContact CG2-CD1 3.95Å; I190-I371 HydrophobicContact CG2-CG2 4.41Å
191	E	98.2	Very high	98.4	Very high	33 Å²	33	13 Å²	13	15%	0.154	7%	0.069	C	C	.	.	H	α-helix	trans	-55.8	-42.8	173.7	-174.6	-171	116.5	0	0	111.6	H187 N188 G189 D194 M195 I370 I371	H187-E191 IonicContact CE1-OE2 3.04Å; H187-E191 PolarHBondContact CE1-OE2 3.34Å; H187-E191 WeakPolarHBondContact O-CB 3.24Å; H187-E191 PolarHBondContact O-N 3.06Å; N188-E191 WeakPolarHBondContact O-CB 3.24Å; N188-E191 PolarHBondContact O-N 2.9Å; G189-E191 VanDerWaalsContact C-N 3.3Å; G189-E191 PolarHBondContact O-N 3.14Å; E191-D194 PolarHBondContact O-N 3.19Å; E191-M195 HydrophobicContact CG-SD 4.21Å; E191-M195 WeakPolarHBondContact O-CB 3.31Å; E191-M195 VanDerWaalsContact O-CG 3.27Å; E191-M195 WeakPolarHBondContact O-CG 3.29Å; E191-M195 PolarHBondContact O-N 3.1Å; E191-I370 HydrophobicContact CG-CB 4.29Å; E191-I370 HydrophobicContact CG-CG2 3.88Å; E191-I370 WeakPolarHBondContact OE2-CB 3.49Å; E191-I370 WeakPolarHBondContact OE2-CG1 3.41Å; E191-I371 HydrophobicContact CB-CG2 3.66Å; E191-I371 HydrophobicContact CG-CG2 4.21Å
192	Y	98.1	Very high	98.4	Very high	11 Å²	11	14.6 Å²	14.6	4%	0.043	8%	0.075	C	C	.	.	H	α-helix	trans	-65.3	-42	177.9	-80	31.7	0	0	0	111	N188 G189 I190 Q196 Q260 A284 V285 R288	N188-Y192 WeakPolarHBondContact O-CD1 3.31Å; N188-Y192 PolarHBondContact O-N 2.95Å; G189-Y192 WeakPolarHBondContact O-CB 3.47Å; G189-Y192 PolarHBondContact O-N 3.39Å; G189-Y192 VanDerWaalsContact O-N 3.09Å; I190-Y192 VanDerWaalsContact C-N 3.28Å; I190-Y192 PolarHBondContact O-N 3Å; Y192-Q196 WeakPolarHBondContact O-CB 3.49Å; Y192-Q196 PolarHBondContact O-N 3.38Å; Y192-Q260 HydrophobicContact CE2-CB 3.97Å; Y192-Q260 WeakPolarHBondContact OH-CB 3.1Å; Y192-A284 WeakPolarHBondContact O-CB 3.46Å; Y192-V285 HydrophobicContact CD2-CG2 4.12Å; Y192-R288 VanDerWaalsContact CD2-NE 3.3Å
193	G	98.5	Very high	98.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.6	-50.8	174.1	0	0	0	0	0	112.6	G189 I190 M195 Q196 L197	G189-G193 PolarHBondContact O-N 3.28Å; I190-G193 PolarHBondContact O-N 3.1Å; I190-G193 VanDerWaalsContact O-N 3.13Å; G193-M195 PolarHBondContact O-N 2.8Å; G193-Q196 PolarHBondContact O-N 2.81Å; G193-L197 WeakPolarHBondContact O-CG 3.43Å; G193-L197 PolarHBondContact O-N 2.97Å
194	D	98.7	Very high	98.4	Very high	5 Å²	5	16.3 Å²	16.3	3%	0.027	8%	0.083	C	C	.	.	H	α-helix	trans	-60.7	-46.6	179.7	-84.1	3.3	0	0	0	112.2	I190 E191 Q196 L197 I198 L232 K334 Y338	I190-D194 PolarHBondContact O-N 2.61Å; E191-D194 PolarHBondContact O-N 3.19Å; D194-Q196 VanDerWaalsContact C-N 3.31Å; D194-Q196 PolarHBondContact O-N 2.88Å; D194-L197 PolarHBondContact O-N 3.26Å; D194-I198 VanDerWaalsContact O-CG1 3.3Å; D194-I198 WeakPolarHBondContact O-CG1 3.26Å; D194-I198 PolarHBondContact O-N 3.28Å; D194-L232 HydrophobicContact CB-CD1 3.71Å; D194-K334 IonicContact OD1-NZ 3.23Å; D194-K334 IonicContact OD2-NZ 3.67Å; D194-K334 PolarHBondContact OD2-NZ 3.01Å; D194-Y338 PolarHBondContact OD2-OH 3.37Å
195	M	98.7	Very high	98.4	Very high	71 Å²	71	15.9 Å²	15.9	35%	0.35	8%	0.081	S	C	.	.	H	α-helix	trans	-61.3	-40.7	177.1	-71.3	176.6	70.5	0	0	112	E191 G193 I198 S199 L232 R288	E191-M195 HydrophobicContact CG-SD 4.21Å; E191-M195 WeakPolarHBondContact O-CB 3.31Å; E191-M195 VanDerWaalsContact O-CG 3.27Å; E191-M195 WeakPolarHBondContact O-CG 3.29Å; E191-M195 PolarHBondContact O-N 3.1Å; G193-M195 PolarHBondContact O-N 2.8Å; M195-I198 PolarHBondContact O-N 2.96Å; M195-S199 WeakPolarHBondContact O-CB 3.28Å; M195-S199 PolarHBondContact O-N 3.36Å; M195-S199 PolarHBondContact O-OG 3.44Å; M195-L232 HydrophobicContact CG-CD1 4.24Å; M195-L232 HydrophobicContact CG-CD2 4.33Å; M195-R288 PolarHBondContact SD-NH2 3.35Å
196	Q	98.8	Very high	98.3	Very high	36 Å²	36	19.3 Å²	19.3	17%	0.168	9%	0.093	C	C	.	.	H	α-helix	trans	-67.8	-43.6	179.6	-178.5	59.3	35.6	0	0	111.1	Y192 G193 D194 I198 S199 E200 A284 A287 A425	Y192-Q196 WeakPolarHBondContact O-CB 3.49Å; Y192-Q196 PolarHBondContact O-N 3.38Å; G193-Q196 PolarHBondContact O-N 2.81Å; D194-Q196 VanDerWaalsContact C-N 3.31Å; D194-Q196 PolarHBondContact O-N 2.88Å; Q196-I198 PolarHBondContact O-N 3.48Å; Q196-S199 WeakPolarHBondContact O-CB 3.42Å; Q196-S199 PolarHBondContact O-N 3.31Å; Q196-E200 WeakPolarHBondContact CG-OE1 3.4Å; Q196-E200 PolarHBondContact NE2-OE1 2.86Å; Q196-E200 WeakPolarHBondContact O-CG 3.39Å; Q196-E200 PolarHBondContact O-N 3.21Å; Q196-A284 HydrophobicContact CB-CB 3.67Å; Q196-A284 HydrophobicContact CG-CB 4.06Å; Q196-A287 HydrophobicContact CG-CB 4.33Å; Q196-A425 HydrophobicContact CB-CB 4.44Å; Q196-A425 HydrophobicContact CG-CB 3.82Å
197	L	98.9	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60	-45	174.6	-71.3	175.4	0	0	0	112	G193 D194 S199 E200 A201 L280 L330 S333 K334 A425 F426	G193-L197 WeakPolarHBondContact O-CG 3.43Å; G193-L197 PolarHBondContact O-N 2.97Å; D194-L197 PolarHBondContact O-N 3.26Å; L197-S199 VanDerWaalsContact C-N 3.29Å; L197-S199 PolarHBondContact O-N 3.49Å; L197-E200 PolarHBondContact O-N 3.38Å; L197-A201 PolarHBondContact O-N 3Å; L197-L280 HydrophobicContact CD1-CD1 4.07Å; L197-L280 HydrophobicContact CD2-CD1 4.04Å; L197-L280 HydrophobicContact CG-CD1 4.22Å; L197-L330 HydrophobicContact CB-CD1 3.49Å; L197-L330 VanDerWaalsContact CB-CD1 3.49Å; L197-L330 HydrophobicContact CD1-CD1 4.36Å; L197-L330 HydrophobicContact CG-CD1 4.46Å; L197-S333 VanDerWaalsContact CD2-CB 3.44Å; L197-K334 HydrophobicContact CD1-CB 4.17Å; L197-A425 HydrophobicContact CD2-CB 3.62Å; L197-A425 HydrophobicContact CG-CB 4.16Å; L197-F426 HydrophobicContact CB-CE2 4.16Å; L197-F426 HydrophobicContact CD2-CD2 3.41Å; L197-F426 VanDerWaalsContact CD2-CD2 3.41Å; L197-F426 HydrophobicContact CD2-CE2 3.64Å; L197-F426 HydrophobicContact CD2-CG 4.12Å; L197-F426 HydrophobicContact CD2-CZ 4.47Å; L197-F426 WeakPolarHBondContact O-CE2 3.29Å
198	I	98.9	Very high	98.2	Very high	21 Å²	21	20.7 Å²	20.7	11%	0.108	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-40.4	176.3	-70.2	168	0	0	0	110.9	D194 M195 Q196 A201 Y202 F220 L232 I233 A236	D194-I198 VanDerWaalsContact O-CG1 3.3Å; D194-I198 WeakPolarHBondContact O-CG1 3.26Å; D194-I198 PolarHBondContact O-N 3.28Å; M195-I198 PolarHBondContact O-N 2.96Å; Q196-I198 PolarHBondContact O-N 3.48Å; I198-A201 PolarHBondContact O-N 3.15Å; I198-Y202 WeakPolarHBondContact O-CB 3.31Å; I198-Y202 PolarHBondContact O-N 3.38Å; I198-F220 HydrophobicContact CG2-CE1 3.81Å; I198-F220 HydrophobicContact CG2-CZ 4.08Å; I198-L232 HydrophobicContact CD1-CB 3.59Å; I198-I233 HydrophobicContact CD1-CD1 3.73Å; I198-I233 HydrophobicContact CD1-CG1 4.21Å; I198-I233 HydrophobicContact CG1-CD1 3.71Å; I198-A236 HydrophobicContact CG2-CB 3.86Å
199	S	98.8	Very high	98.1	Very high	59 Å²	59	20.7 Å²	20.7	41%	0.413	10%	0.101	S	C	.	.	H	α-helix	trans	-66	-37.2	177.5	-58.9	0	0	0	0	112.5	M195 Q196 L197 Y202 H203	M195-S199 WeakPolarHBondContact O-CB 3.28Å; M195-S199 PolarHBondContact O-N 3.36Å; M195-S199 PolarHBondContact O-OG 3.44Å; Q196-S199 WeakPolarHBondContact O-CB 3.42Å; Q196-S199 PolarHBondContact O-N 3.31Å; L197-S199 VanDerWaalsContact C-N 3.29Å; L197-S199 PolarHBondContact O-N 3.49Å; S199-Y202 WeakPolarHBondContact O-CB 3.48Å; S199-Y202 PolarHBondContact O-N 3.24Å; S199-H203 PolarHBondContact O-N 3.39Å
200	E	98.9	Very high	98	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-68.1	-40.9	174.5	-75.8	175	-150.5	0	0	111.6	Q196 L197 Y202 H203 F204 M423 P424 A425 F426	Q196-E200 WeakPolarHBondContact CG-OE1 3.4Å; Q196-E200 PolarHBondContact NE2-OE1 2.86Å; Q196-E200 WeakPolarHBondContact O-CG 3.39Å; Q196-E200 PolarHBondContact O-N 3.21Å; L197-E200 PolarHBondContact O-N 3.38Å; E200-Y202 VanDerWaalsContact C-N 3.35Å; E200-Y202 PolarHBondContact O-N 3.48Å; E200-H203 PolarHBondContact O-N 3.15Å; E200-F204 WeakPolarHBondContact O-CB 3.49Å; E200-F204 PolarHBondContact O-N 3.04Å; E200-M423 HydrophobicContact CB-CE 3.84Å; E200-M423 HydrophobicContact CB-CG 4.29Å; E200-M423 VanDerWaalsContact CD-CA 3.47Å; E200-M423 HydrophobicContact CG-CB 4.46Å; E200-M423 HydrophobicContact CG-CG 4.43Å; E200-M423 WeakPolarHBondContact OE2-CA 3.4Å; E200-M423 WeakPolarHBondContact OE2-CB 3.45Å; E200-P424 WeakPolarHBondContact OE1-CD 3.48Å; E200-P424 WeakPolarHBondContact OE1-CG 3.27Å; E200-A425 VanDerWaalsContact OE1-CB 3.24Å; E200-A425 WeakPolarHBondContact OE1-CB 3.45Å; E200-A425 PolarHBondContact OE1-N 3.07Å; E200-A425 PolarHBondContact OE2-N 2.89Å; E200-F426 HydrophobicContact CB-CD2 3.85Å; E200-F426 HydrophobicContact CB-CE2 3.74Å; E200-F426 WeakPolarHBondContact OE2-CD2 3.06Å; E200-F426 PolarHBondContact OE2-N 3.36Å; E200-F426 VanDerWaalsContact OE2-N 3.1Å
201	A	98.9	Very high	97.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-43.3	172.9	0	0	0	0	0	111.8	L197 I198 H203 F204 L205 F220 W223 L326 L330 F426	L197-A201 PolarHBondContact O-N 3Å; I198-A201 PolarHBondContact O-N 3.15Å; A201-H203 PolarHBondContact O-N 3.4Å; A201-F204 PolarHBondContact O-N 2.86Å; A201-L205 WeakPolarHBondContact O-CG 3.48Å; A201-L205 PolarHBondContact O-N 2.68Å; A201-F220 HydrophobicContact CB-CZ 4.4Å; A201-W223 HydrophobicContact CB-CH2 4.24Å; A201-W223 HydrophobicContact CB-CZ3 4.06Å; A201-L326 HydrophobicContact CB-CD1 4.18Å; A201-L326 HydrophobicContact CB-CD2 4.05Å; A201-L326 HydrophobicContact CB-CG 4.11Å; A201-L330 HydrophobicContact CB-CD2 4.34Å; A201-F426 HydrophobicContact CB-CZ 4.4Å
202	Y	98.6	Very high	97.8	Very high	37 Å²	37	28.4 Å²	28.4	15%	0.145	14%	0.142	C	C	.	.	H	α-helix	trans	-57.6	-46.2	171.9	162.6	-105.6	0	0	0	112.3	I198 S199 E200 F204 L205 R206 H213 M216 L240	I198-Y202 WeakPolarHBondContact O-CB 3.31Å; I198-Y202 PolarHBondContact O-N 3.38Å; S199-Y202 WeakPolarHBondContact O-CB 3.48Å; S199-Y202 PolarHBondContact O-N 3.24Å; E200-Y202 VanDerWaalsContact C-N 3.35Å; E200-Y202 PolarHBondContact O-N 3.48Å; Y202-F204 VanDerWaalsContact C-N 3.34Å; Y202-F204 PolarHBondContact O-N 3.14Å; Y202-L205 PolarHBondContact O-N 2.98Å; Y202-R206 VanDerWaalsContact CE1-NH1 3.34Å; Y202-R206 HydrophobicContact CE2-CB 4.34Å; Y202-R206 VanDerWaalsContact O-CB 3.31Å; Y202-R206 WeakPolarHBondContact O-CB 3.27Å; Y202-R206 PolarHBondContact O-N 2.94Å; Y202-R206 WeakPolarHBondContact OH-CD 3.28Å; Y202-R206 PolarHBondContact OH-NH1 2.9Å; Y202-H213 PolarHBondContact OH-NE2 3.25Å; Y202-M216 HydrophobicContact CD2-SD 3.42Å; Y202-M216 WeakPolarHBondContact CD2-SD 3.23Å; Y202-M216 HydrophobicContact CE2-CE 4.23Å; Y202-M216 HydrophobicContact CE2-SD 3.58Å; Y202-M216 VanDerWaalsContact CE2-SD 3.58Å; Y202-L240 HydrophobicContact CD2-CD2 3.74Å; Y202-L240 HydrophobicContact CE2-CD2 3.66Å
203	H	98	Very high	97.7	Very high	36 Å²	36	29.4 Å²	29.4	17%	0.167	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-40.6	179.7	-166.8	-174.5	0	0	0	111.8	S199 E200 A201 R206 D207	S199-H203 PolarHBondContact O-N 3.39Å; E200-H203 PolarHBondContact O-N 3.15Å; A201-H203 PolarHBondContact O-N 3.4Å; H203-R206 PolarHBondContact CD2-NH2 2.97Å; H203-R206 PolarHBondContact NE2-NH2 3.31Å; H203-R206 PolarHBondContact O-N 3.22Å; H203-D207 IonicContact CD2-OD2 3.95Å; H203-D207 PolarHBondContact CD2-OD2 3.29Å; H203-D207 VanDerWaalsContact CD2-OD2 3.23Å; H203-D207 IonicContact NE2-OD2 3.39Å; H203-D207 PolarHBondContact NE2-OD2 3.01Å; H203-D207 PolarHBondContact O-N 3.16Å
204	F	98.4	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-61.5	-45.3	175.6	-166.3	-79.9	0	0	0	111.6	E200 A201 Y202 G208 L209 M312 Y322 L326 V412 A415 A416 L421 M423	E200-F204 WeakPolarHBondContact O-CB 3.49Å; E200-F204 PolarHBondContact O-N 3.04Å; A201-F204 PolarHBondContact O-N 2.86Å; Y202-F204 VanDerWaalsContact C-N 3.34Å; Y202-F204 PolarHBondContact O-N 3.14Å; F204-G208 CarbonylContact O-C 3.5Å; F204-G208 WeakPolarHBondContact O-CA 3.49Å; F204-G208 PolarHBondContact O-N 3.29Å; F204-L209 HydrophobicContact CD1-CD1 4.06Å; F204-L209 HydrophobicContact CD1-CG 4.09Å; F204-L209 HydrophobicContact CE1-CD1 3.9Å; F204-L209 HydrophobicContact CE1-CD2 4.31Å; F204-L209 HydrophobicContact CE1-CG 3.92Å; F204-L209 PolarHBondContact O-N 2.96Å; F204-M312 HydrophobicContact CD1-CE 4.13Å; F204-M312 HydrophobicContact CD2-CE 4.49Å; F204-M312 HydrophobicContact CE1-CE 3.46Å; F204-M312 VanDerWaalsContact CE1-CE 3.46Å; F204-M312 HydrophobicContact CE2-CE 3.87Å; F204-M312 HydrophobicContact CE2-SD 4.47Å; F204-M312 HydrophobicContact CZ-CE 3.3Å; F204-M312 HydrophobicContact CZ-SD 4.01Å; F204-Y322 HydrophobicContact CE1-CD1 4.24Å; F204-Y322 AromaticContact CZ-CD1 3.96Å; F204-Y322 HydrophobicContact CZ-CD1 3.96Å; F204-L326 HydrophobicContact CB-CD1 4.22Å; F204-L326 HydrophobicContact CB-CD2 4Å; F204-L326 HydrophobicContact CD1-CD1 4.36Å; F204-L326 HydrophobicContact CD1-CD2 3.83Å; F204-L326 HydrophobicContact CG-CD1 4.19Å; F204-L326 HydrophobicContact CG-CD2 4.18Å; F204-V412 HydrophobicContact CD2-CG1 4.26Å; F204-V412 HydrophobicContact CE2-CG1 4.04Å; F204-V412 HydrophobicContact CZ-CG1 4.48Å; F204-A415 HydrophobicContact CE2-CB 4.34Å; F204-A415 HydrophobicContact CZ-CB 4.23Å; F204-A416 HydrophobicContact CD2-CB 4.15Å; F204-A416 HydrophobicContact CE2-CB 4.05Å; F204-L421 HydrophobicContact CB-CD1 4.47Å; F204-L421 HydrophobicContact CD2-CD1 3.7Å; F204-L421 HydrophobicContact CE2-CD1 4.22Å; F204-L421 HydrophobicContact CG-CD1 4.22Å; F204-M423 HydrophobicContact CD2-CE 4.47Å; F204-M423 HydrophobicContact CD2-SD 3.73Å; F204-M423 HydrophobicContact CE2-SD 4.48Å
205	L	98.1	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-64.5	-46.4	176	-69.5	167.5	0	0	0	112	A201 Y202 L209 K210 V211 M216 I219 F220 W223 T323 L326	A201-L205 WeakPolarHBondContact O-CG 3.48Å; A201-L205 PolarHBondContact O-N 2.68Å; Y202-L205 PolarHBondContact O-N 2.98Å; L205-L209 HydrophobicContact CD2-CD1 4.2Å; L205-L209 CarbonylContact O-C 3.45Å; L205-K210 PolarHBondContact O-N 3.03Å; L205-V211 HydrophobicContact CB-CB 4.45Å; L205-V211 HydrophobicContact CD2-CG2 4.28Å; L205-V211 PolarHBondContact O-N 3.42Å; L205-M216 HydrophobicContact CB-CG 3.93Å; L205-M216 HydrophobicContact CB-SD 3.99Å; L205-M216 HydrophobicContact CD1-CG 4.18Å; L205-I219 HydrophobicContact CD1-CG2 4.26Å; L205-I219 HydrophobicContact CD2-CD1 3.95Å; L205-F220 HydrophobicContact CD1-CE2 4.09Å; L205-W223 HydrophobicContact CD1-CH2 4.18Å; L205-T323 HydrophobicContact CD2-CG2 4.34Å; L205-L326 HydrophobicContact CD1-CD2 4.33Å; L205-L326 HydrophobicContact CD2-CD2 4.09Å; L205-L326 HydrophobicContact CG-CD2 3.77Å
206	R	97.2	Very high	97.6	Very high	82 Å²	82	33.5 Å²	33.5	31%	0.309	17%	0.167	S	C	.	.	I	π-helix	trans	-66.8	-51.5	-176	-174.4	-169.7	70.9	-155.7	-3.5	113.1	Y202 H203 K210 M216	Y202-R206 VanDerWaalsContact CE1-NH1 3.34Å; Y202-R206 HydrophobicContact CE2-CB 4.34Å; Y202-R206 VanDerWaalsContact O-CB 3.31Å; Y202-R206 WeakPolarHBondContact O-CB 3.27Å; Y202-R206 PolarHBondContact O-N 2.94Å; Y202-R206 WeakPolarHBondContact OH-CD 3.28Å; Y202-R206 PolarHBondContact OH-NH1 2.9Å; H203-R206 PolarHBondContact CD2-NH2 2.97Å; H203-R206 PolarHBondContact NE2-NH2 3.31Å; H203-R206 PolarHBondContact O-N 3.22Å; R206-K210 VanDerWaalsContact O-CA 3.28Å; R206-K210 WeakPolarHBondContact O-CA 3.36Å; R206-K210 WeakPolarHBondContact O-CD 3.16Å; R206-K210 PolarHBondContact O-N 3.36Å; R206-M216 VanDerWaalsContact CA-CE 3.45Å; R206-M216 HydrophobicContact CB-CE 3.61Å; R206-M216 HydrophobicContact CB-SD 4.36Å; R206-M216 HydrophobicContact CG-CE 4.03Å
207	D	95.7	Very high	97.6	Very high	29 Å²	29	31.8 Å²	31.8	16%	0.155	16%	0.159	C	C	.	.	I	π-helix	trans	-107.8	-32.2	-170	-68.3	-31.7	0	0	0	113.4	H203 K210 V309 L421	H203-D207 IonicContact CD2-OD2 3.95Å; H203-D207 PolarHBondContact CD2-OD2 3.29Å; H203-D207 VanDerWaalsContact CD2-OD2 3.23Å; H203-D207 IonicContact NE2-OD2 3.39Å; H203-D207 PolarHBondContact NE2-OD2 3.01Å; H203-D207 PolarHBondContact O-N 3.16Å; D207-K210 WeakPolarHBondContact O-CE 3.38Å; D207-K210 IonicContact OD1-NZ 3.26Å; D207-K210 PolarHBondContact OD1-NZ 2.91Å; D207-K210 VanDerWaalsContact OD1-NZ 3.11Å; D207-V309 HydrophobicContact CB-CG1 3.63Å; D207-L421 HydrophobicContact CB-CD2 4.23Å
208	G	96.6	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-70	-51.5	173	0	0	0	0	0	111.8	F204 M312	F204-G208 CarbonylContact O-C 3.5Å; F204-G208 WeakPolarHBondContact O-CA 3.49Å; F204-G208 PolarHBondContact O-N 3.29Å; G208-M312 PolarHBondContact O-N 3.09Å
209	L	96.6	Very high	97.6	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.063	18%	0.18	C	C	.	.	S	Bend	trans	-105.4	-5.3	-173.7	-61.3	-177.7	0	0	0	114.7	F204 L205 V211 M312 M314 T319	F204-L209 HydrophobicContact CD1-CD1 4.06Å; F204-L209 HydrophobicContact CD1-CG 4.09Å; F204-L209 HydrophobicContact CE1-CD1 3.9Å; F204-L209 HydrophobicContact CE1-CD2 4.31Å; F204-L209 HydrophobicContact CE1-CG 3.92Å; F204-L209 PolarHBondContact O-N 2.96Å; L205-L209 HydrophobicContact CD2-CD1 4.2Å; L205-L209 CarbonylContact O-C 3.45Å; L209-V211 HydrophobicContact CB-CG2 3.88Å; L209-V211 PolarHBondContact O-N 2.93Å; L209-V211 VanDerWaalsContact O-N 3.16Å; L209-M312 HydrophobicContact CD2-CE 3.54Å; L209-M312 HydrophobicContact CG-CE 3.95Å; L209-M314 HydrophobicContact CD2-SD 3.47Å; L209-M314 WeakPolarHBondContact CD2-SD 3.36Å; L209-T319 HydrophobicContact CB-CG2 4.25Å; L209-T319 HydrophobicContact CD1-CG2 4.29Å
210	K	95.1	Very high	97.6	Very high	125 Å²	125	33.4 Å²	33.4	54%	0.543	16%	0.16	S	C	.	.			trans	51.7	36.4	-179.9	-64.5	-71	170.1	-163.4	0	114.1	L205 R206 D207 C311	L205-K210 PolarHBondContact O-N 3.03Å; R206-K210 VanDerWaalsContact O-CA 3.28Å; R206-K210 WeakPolarHBondContact O-CA 3.36Å; R206-K210 WeakPolarHBondContact O-CD 3.16Å; R206-K210 PolarHBondContact O-N 3.36Å; D207-K210 WeakPolarHBondContact O-CE 3.38Å; D207-K210 IonicContact OD1-NZ 3.26Å; D207-K210 PolarHBondContact OD1-NZ 2.91Å; D207-K210 VanDerWaalsContact OD1-NZ 3.11Å; K210-C311 HydrophobicContact CG-CB 4.04Å; K210-C311 WeakPolarHBondContact CG-SG 3.36Å
211	V	96.2	Very high	97.6	Very high	14 Å²	14	37 Å²	37	9%	0.085	18%	0.177	C	C	.	.			trans	-72	144	172.9	-179.5	0	0	0	0	109.1	L205 L209 Q215 M216 I219 T319	L205-V211 HydrophobicContact CB-CB 4.45Å; L205-V211 HydrophobicContact CD2-CG2 4.28Å; L205-V211 PolarHBondContact O-N 3.42Å; L209-V211 HydrophobicContact CB-CG2 3.88Å; L209-V211 PolarHBondContact O-N 2.93Å; L209-V211 VanDerWaalsContact O-N 3.16Å; V211-Q215 HydrophobicContact CG1-CB 3.37Å; V211-Q215 HydrophobicContact CG1-CG 4.45Å; V211-M216 HydrophobicContact CB-CG 4.22Å; V211-M216 HydrophobicContact CG1-CG 3.86Å; V211-M216 WeakPolarHBondContact O-CE 3.36Å; V211-I219 HydrophobicContact CG1-CD1 4Å; V211-T319 HydrophobicContact CG2-CG2 4.15Å
212	S	96	Very high	97.5	Very high	56 Å²	56	43 Å²	43	39%	0.392	20%	0.203	S	C	.	.			trans	-76.1	157.9	176.7	76.2	0	0	0	0	111.7	D214 Q215 M216	S212-D214 VanDerWaalsContact C-N 3.27Å; S212-D214 PolarHBondContact O-N 3.02Å; S212-Q215 VanDerWaalsContact N-OE1 3.13Å; S212-Q215 PolarHBondContact O-N 3.3Å; S212-Q215 VanDerWaalsContact O-N 3.16Å; S212-Q215 WeakPolarHBondContact OG-CG 3.16Å; S212-Q215 PolarHBondContact OG-N 3.44Å; S212-Q215 PolarHBondContact OG-OE1 2.65Å; S212-M216 WeakPolarHBondContact O-CG 3.24Å; S212-M216 PolarHBondContact O-N 3Å
213	H	97.3	Very high	97.6	Very high	32 Å²	32	41.7 Å²	41.7	15%	0.148	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-36.1	177.6	-68.7	84.2	0	0	0	113.5	Y202 M216 A217 Q249 V251	Y202-H213 PolarHBondContact OH-NE2 3.25Å; H213-M216 PolarHBondContact O-N 2.94Å; H213-A217 PolarHBondContact O-N 3.09Å; H213-Q249 HydrophobicContact CB-CB 4.2Å; H213-Q249 HydrophobicContact CB-CG 3.62Å; H213-V251 VanDerWaalsContact CD2-CG1 3.4Å; H213-V251 WeakPolarHBondContact CD2-CG1 3.49Å
214	D	96.7	Very high	97.6	Very high	61 Å²	61	41.2 Å²	41.2	33%	0.326	20%	0.197	S	C	.	.	H	α-helix	trans	-64.9	-42.5	176.9	-67.3	-24	0	0	0	111	S212 A217 E218 Q249	S212-D214 VanDerWaalsContact C-N 3.27Å; S212-D214 PolarHBondContact O-N 3.02Å; D214-A217 WeakPolarHBondContact O-CB 3.46Å; D214-A217 PolarHBondContact O-N 3.41Å; D214-E218 WeakPolarHBondContact O-CG 3.28Å; D214-E218 PolarHBondContact O-N 3.31Å; D214-E218 VanDerWaalsContact O-N 3.17Å; D214-Q249 PolarHBondContact OD1-NE2 3.38Å
215	Q	97.7	Very high	97.6	Very high	99 Å²	99	49 Å²	49	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-67.4	-37.8	174.1	-71.6	174.2	-39.9	0	0	112	V211 S212 A217 E218 I219	V211-Q215 HydrophobicContact CG1-CB 3.37Å; V211-Q215 HydrophobicContact CG1-CG 4.45Å; S212-Q215 VanDerWaalsContact N-OE1 3.13Å; S212-Q215 PolarHBondContact O-N 3.3Å; S212-Q215 VanDerWaalsContact O-N 3.16Å; S212-Q215 WeakPolarHBondContact OG-CG 3.16Å; S212-Q215 PolarHBondContact OG-N 3.44Å; S212-Q215 PolarHBondContact OG-OE1 2.65Å; Q215-A217 VanDerWaalsContact C-N 3.32Å; Q215-A217 PolarHBondContact O-N 3.21Å; Q215-E218 PolarHBondContact O-N 3Å; Q215-I219 VanDerWaalsContact O-CG1 3.29Å; Q215-I219 WeakPolarHBondContact O-CG1 3.47Å; Q215-I219 PolarHBondContact O-N 3.39Å
216	M	98.5	Very high	97.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-42.6	173.9	-68.8	-178	-134.3	0	0	110.9	Y202 L205 R206 V211 S212 H213 E218 I219 F220 L240	Y202-M216 HydrophobicContact CD2-SD 3.42Å; Y202-M216 WeakPolarHBondContact CD2-SD 3.23Å; Y202-M216 HydrophobicContact CE2-CE 4.23Å; Y202-M216 HydrophobicContact CE2-SD 3.58Å; Y202-M216 VanDerWaalsContact CE2-SD 3.58Å; L205-M216 HydrophobicContact CB-CG 3.93Å; L205-M216 HydrophobicContact CB-SD 3.99Å; L205-M216 HydrophobicContact CD1-CG 4.18Å; R206-M216 VanDerWaalsContact CA-CE 3.45Å; R206-M216 HydrophobicContact CB-CE 3.61Å; R206-M216 HydrophobicContact CB-SD 4.36Å; R206-M216 HydrophobicContact CG-CE 4.03Å; V211-M216 HydrophobicContact CB-CG 4.22Å; V211-M216 HydrophobicContact CG1-CG 3.86Å; V211-M216 WeakPolarHBondContact O-CE 3.36Å; S212-M216 WeakPolarHBondContact O-CG 3.24Å; S212-M216 PolarHBondContact O-N 3Å; H213-M216 PolarHBondContact O-N 2.94Å; M216-E218 VanDerWaalsContact C-N 3.32Å; M216-E218 PolarHBondContact O-N 2.97Å; M216-I219 WeakPolarHBondContact O-CB 3.5Å; M216-I219 PolarHBondContact O-N 3.21Å; M216-I219 VanDerWaalsContact O-N 3.12Å; M216-F220 VanDerWaalsContact O-CD2 3.29Å; M216-F220 WeakPolarHBondContact O-CD2 3.49Å; M216-F220 PolarHBondContact O-N 2.9Å; M216-L240 HydrophobicContact CB-CD1 3.89Å; M216-L240 HydrophobicContact SD-CD2 4.49Å
217	A	98.6	Very high	97.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-43.8	176.2	0	0	0	0	0	111.8	H213 D214 Q215 I219 F220 E221 L240 R241	H213-A217 PolarHBondContact O-N 3.09Å; D214-A217 WeakPolarHBondContact O-CB 3.46Å; D214-A217 PolarHBondContact O-N 3.41Å; Q215-A217 VanDerWaalsContact C-N 3.32Å; Q215-A217 PolarHBondContact O-N 3.21Å; A217-I219 VanDerWaalsContact C-N 3.33Å; A217-I219 PolarHBondContact O-N 2.64Å; A217-F220 PolarHBondContact O-N 3.42Å; A217-E221 WeakPolarHBondContact O-CG 3.41Å; A217-E221 PolarHBondContact O-N 3.26Å; A217-L240 HydrophobicContact CB-CB 3.96Å; A217-R241 HydrophobicContact CB-CG 3.43Å; A217-R241 VanDerWaalsContact CB-CG 3.43Å
218	E	98.6	Very high	97.7	Very high	90 Å²	90	49.1 Å²	49.1	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-38	173.9	-67.5	171.7	-167.6	0	0	112.7	D214 Q215 M216 E221 K222	D214-E218 WeakPolarHBondContact O-CG 3.28Å; D214-E218 PolarHBondContact O-N 3.31Å; D214-E218 VanDerWaalsContact O-N 3.17Å; Q215-E218 PolarHBondContact O-N 3Å; M216-E218 VanDerWaalsContact C-N 3.32Å; M216-E218 PolarHBondContact O-N 2.97Å; E218-E221 PolarHBondContact O-N 3.2Å; E218-K222 VanDerWaalsContact O-CG 3.32Å; E218-K222 WeakPolarHBondContact O-CG 3.42Å; E218-K222 PolarHBondContact O-N 2.91Å
219	I	98.8	Very high	97.8	Very high	24 Å²	24	52 Å²	52	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-48.2	175.4	-71.2	165.3	0	0	0	110.4	L205 V211 Q215 M216 A217 E221 K222 W223 T323	L205-I219 HydrophobicContact CD1-CG2 4.26Å; L205-I219 HydrophobicContact CD2-CD1 3.95Å; V211-I219 HydrophobicContact CG1-CD1 4Å; Q215-I219 VanDerWaalsContact O-CG1 3.29Å; Q215-I219 WeakPolarHBondContact O-CG1 3.47Å; Q215-I219 PolarHBondContact O-N 3.39Å; M216-I219 WeakPolarHBondContact O-CB 3.5Å; M216-I219 PolarHBondContact O-N 3.21Å; M216-I219 VanDerWaalsContact O-N 3.12Å; A217-I219 VanDerWaalsContact C-N 3.33Å; A217-I219 PolarHBondContact O-N 2.64Å; I219-E221 VanDerWaalsContact C-N 3.33Å; I219-E221 PolarHBondContact O-N 3.47Å; I219-K222 PolarHBondContact O-N 3.18Å; I219-W223 HydrophobicContact CG2-CD2 3.86Å; I219-W223 HydrophobicContact CG2-CE3 4.42Å; I219-W223 HydrophobicContact CG2-CG 4.36Å; I219-W223 HydrophobicContact CG2-CH2 4.08Å; I219-W223 HydrophobicContact CG2-CZ2 3.48Å; I219-W223 VanDerWaalsContact CG2-CZ2 3.48Å; I219-W223 WeakPolarHBondContact O-CB 3.47Å; I219-W223 VanDerWaalsContact O-CD1 3.25Å; I219-W223 PolarHBondContact O-N 2.95Å; I219-T323 HydrophobicContact CD1-CG2 3.83Å; I219-T323 HydrophobicContact CG1-CG2 4.04Å; I219-T323 HydrophobicContact CG2-CG2 3.7Å
220	F	98.8	Very high	97.9	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-35.2	178.4	-84	-80.6	0	0	0	112.3	I198 A201 L205 M216 A217 W223 N224 I233 A236 A237 L240	I198-F220 HydrophobicContact CG2-CE1 3.81Å; I198-F220 HydrophobicContact CG2-CZ 4.08Å; A201-F220 HydrophobicContact CB-CZ 4.4Å; L205-F220 HydrophobicContact CD1-CE2 4.09Å; M216-F220 VanDerWaalsContact O-CD2 3.29Å; M216-F220 WeakPolarHBondContact O-CD2 3.49Å; M216-F220 PolarHBondContact O-N 2.9Å; A217-F220 PolarHBondContact O-N 3.42Å; F220-W223 AromaticContact CD1-CE3 3.87Å; F220-W223 HydrophobicContact CD1-CE3 3.87Å; F220-W223 HydrophobicContact CD1-CZ3 4.22Å; F220-W223 AromaticContact CE1-CE3 3.83Å; F220-W223 HydrophobicContact CE1-CE3 3.83Å; F220-W223 AromaticContact CE1-CZ3 3.75Å; F220-W223 HydrophobicContact CE1-CZ3 3.75Å; F220-W223 HydrophobicContact CE2-CZ3 4.46Å; F220-W223 HydrophobicContact CG-CE3 4.42Å; F220-W223 HydrophobicContact CZ-CE3 4.38Å; F220-W223 AromaticContact CZ-CZ3 3.9Å; F220-W223 HydrophobicContact CZ-CZ3 3.9Å; F220-W223 PolarHBondContact O-N 3.38Å; F220-N224 WeakPolarHBondContact O-CB 3.47Å; F220-N224 PolarHBondContact O-N 2.91Å; F220-I233 HydrophobicContact CD1-CD1 3.9Å; F220-I233 HydrophobicContact CD1-CG2 4.22Å; F220-I233 HydrophobicContact CE1-CD1 3.92Å; F220-I233 VanDerWaalsContact O-CG2 3.3Å; F220-I233 WeakPolarHBondContact O-CG2 3.41Å; F220-A236 HydrophobicContact CD1-CB 3.94Å; F220-A236 HydrophobicContact CE1-CB 4.19Å; F220-A236 HydrophobicContact CG-CB 4.26Å; F220-A237 HydrophobicContact CB-CB 3.91Å; F220-L240 HydrophobicContact CD2-CD1 3.47Å; F220-L240 VanDerWaalsContact CD2-CD1 3.47Å; F220-L240 HydrophobicContact CE2-CD1 3.84Å; F220-L240 HydrophobicContact CG-CD1 4.34Å
221	E	98.7	Very high	97.9	Very high	78 Å²	78	48 Å²	48	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-60.8	-49.9	171.3	-78.1	166.9	-174.9	0	0	111.6	A217 E218 I219 W223 N224 E225 A237 R241	A217-E221 WeakPolarHBondContact O-CG 3.41Å; A217-E221 PolarHBondContact O-N 3.26Å; E218-E221 PolarHBondContact O-N 3.2Å; I219-E221 VanDerWaalsContact C-N 3.33Å; I219-E221 PolarHBondContact O-N 3.47Å; E221-W223 VanDerWaalsContact C-N 3.32Å; E221-W223 PolarHBondContact O-N 3.08Å; E221-N224 WeakPolarHBondContact O-CA 3.41Å; E221-N224 VanDerWaalsContact O-CB 3.27Å; E221-N224 WeakPolarHBondContact O-CB 3.27Å; E221-N224 PolarHBondContact O-N 3.24Å; E221-E225 PolarHBondContact O-N 3.5Å; E221-A237 HydrophobicContact CG-CB 3.76Å; E221-R241 IonicContact OE1-CZ 2.67Å; E221-R241 VanDerWaalsContact OE1-CZ 3.24Å; E221-R241 IonicContact OE1-NE 2.8Å; E221-R241 PolarHBondContact OE1-NE 3.06Å; E221-R241 IonicContact OE1-NH2 3.13Å; E221-R241 PolarHBondContact OE1-NH2 3.16Å; E221-R241 IonicContact OE2-CZ 2.7Å; E221-R241 IonicContact OE2-NE 3.76Å; E221-R241 IonicContact OE2-NH2 3.91Å; E221-R241 PolarHBondContact OE2-NH2 2.88Å
222	K	98.6	Very high	98	Very high	127 Å²	127	48.1 Å²	48.1	55%	0.552	24%	0.237	S	C	*	.	H	α-helix	trans	-60.3	-41.9	175.8	-72.4	171.8	-176.4	173.1	0	111.7	E218 I219 N224 E225	E218-K222 VanDerWaalsContact O-CG 3.32Å; E218-K222 WeakPolarHBondContact O-CG 3.42Å; E218-K222 PolarHBondContact O-N 2.91Å; I219-K222 PolarHBondContact O-N 3.18Å; K222-N224 PolarHBondContact O-N 3.31Å; K222-E225 WeakPolarHBondContact O-CB 3.06Å; K222-E225 PolarHBondContact O-N 3.42Å
223	W	98.7	Very high	98.1	Very high	8 Å²	8	45.7 Å²	45.7	3%	0.03	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-33.9	175.6	-68.9	0.2	0	0	0	111.8	A201 L205 I219 F220 E221 E225 T226 L228 I233 T323 L326 R327 L330	A201-W223 HydrophobicContact CB-CH2 4.24Å; A201-W223 HydrophobicContact CB-CZ3 4.06Å; L205-W223 HydrophobicContact CD1-CH2 4.18Å; I219-W223 HydrophobicContact CG2-CD2 3.86Å; I219-W223 HydrophobicContact CG2-CE3 4.42Å; I219-W223 HydrophobicContact CG2-CG 4.36Å; I219-W223 HydrophobicContact CG2-CH2 4.08Å; I219-W223 HydrophobicContact CG2-CZ2 3.48Å; I219-W223 VanDerWaalsContact CG2-CZ2 3.48Å; I219-W223 WeakPolarHBondContact O-CB 3.47Å; I219-W223 VanDerWaalsContact O-CD1 3.25Å; I219-W223 PolarHBondContact O-N 2.95Å; F220-W223 AromaticContact CD1-CE3 3.87Å; F220-W223 HydrophobicContact CD1-CE3 3.87Å; F220-W223 HydrophobicContact CD1-CZ3 4.22Å; F220-W223 AromaticContact CE1-CE3 3.83Å; F220-W223 HydrophobicContact CE1-CE3 3.83Å; F220-W223 AromaticContact CE1-CZ3 3.75Å; F220-W223 HydrophobicContact CE1-CZ3 3.75Å; F220-W223 HydrophobicContact CE2-CZ3 4.46Å; F220-W223 HydrophobicContact CG-CE3 4.42Å; F220-W223 HydrophobicContact CZ-CE3 4.38Å; F220-W223 AromaticContact CZ-CZ3 3.9Å; F220-W223 HydrophobicContact CZ-CZ3 3.9Å; F220-W223 PolarHBondContact O-N 3.38Å; E221-W223 VanDerWaalsContact C-N 3.32Å; E221-W223 PolarHBondContact O-N 3.08Å; W223-E225 PolarHBondContact O-N 2.65Å; W223-T226 WeakPolarHBondContact O-CB 3.49Å; W223-T226 PolarHBondContact O-N 2.92Å; W223-T226 PolarHBondContact O-OG1 3.45Å; W223-L228 HydrophobicContact CB-CD1 4.2Å; W223-L228 HydrophobicContact CD2-CD1 4.41Å; W223-L228 HydrophobicContact CE3-CD1 4.35Å; W223-L228 HydrophobicContact CG-CD1 4.39Å; W223-I233 HydrophobicContact CB-CG2 4.31Å; W223-T323 HydrophobicContact CZ2-CG2 4.06Å; W223-T323 WeakPolarHBondContact CZ2-O 3.45Å; W223-L326 HydrophobicContact CH2-CB 4.41Å; W223-L326 HydrophobicContact CH2-CD2 3.84Å; W223-L326 HydrophobicContact CH2-CG 3.89Å; W223-L326 HydrophobicContact CZ2-CB 4.47Å; W223-L326 HydrophobicContact CZ2-CD2 4.46Å; W223-L326 HydrophobicContact CZ2-CG 4.43Å; W223-R327 HydrophobicContact CB-CG 4.48Å; W223-R327 VanDerWaalsContact CD1-CG 3.49Å; W223-R327 HydrophobicContact CD2-CB 4.24Å; W223-R327 HydrophobicContact CD2-CG 3.87Å; W223-R327 HydrophobicContact CG-CB 4.49Å; W223-R327 HydrophobicContact CG-CG 3.72Å; W223-R327 HydrophobicContact CZ2-CB 3.93Å; W223-R327 HydrophobicContact CZ2-CG 4.47Å; W223-L330 HydrophobicContact CE3-CD2 3.98Å; W223-L330 HydrophobicContact CZ3-CD2 3.78Å
224	N	98.6	Very high	98.2	Very high	27 Å²	27	47.6 Å²	47.6	14%	0.144	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.8	175.4	-152.1	44.3	0	0	0	113.5	F220 E221 K222 N229 S230 I233	F220-N224 WeakPolarHBondContact O-CB 3.47Å; F220-N224 PolarHBondContact O-N 2.91Å; E221-N224 WeakPolarHBondContact O-CA 3.41Å; E221-N224 VanDerWaalsContact O-CB 3.27Å; E221-N224 WeakPolarHBondContact O-CB 3.27Å; E221-N224 PolarHBondContact O-N 3.24Å; K222-N224 PolarHBondContact O-N 3.31Å; N224-N229 WeakPolarHBondContact O-CA 3.29Å; N224-N229 WeakPolarHBondContact O-CB 3.44Å; N224-N229 PolarHBondContact O-ND2 3.27Å; N224-N229 WeakPolarHBondContact OD1-CA 3.37Å; N224-S230 PolarHBondContact OD1-N 3.09Å; N224-S230 PolarHBondContact OD1-O 3.42Å; N224-S230 VanDerWaalsContact OD1-O 3.1Å; N224-I233 HydrophobicContact CB-CG2 3.74Å
225	E	98.3	Very high	98.2	Very high	164 Å²	164	47.6 Å²	47.6	77%	0.766	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.7	172.9	-60.6	174.6	174.7	0	0	112.5	E221 K222 W223	E221-E225 PolarHBondContact O-N 3.5Å; K222-E225 WeakPolarHBondContact O-CB 3.06Å; K222-E225 PolarHBondContact O-N 3.42Å; W223-E225 PolarHBondContact O-N 2.65Å
226	T	98.1	Very high	98.2	Very high	44 Å²	44	43.7 Å²	43.7	27%	0.27	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-164.6	179.5	74.2	0	0	0	0	111.8	W223 L228 N229 R327	W223-T226 WeakPolarHBondContact O-CB 3.49Å; W223-T226 PolarHBondContact O-N 2.92Å; W223-T226 PolarHBondContact O-OG1 3.45Å; T226-L228 PolarHBondContact O-N 2.82Å; T226-L228 VanDerWaalsContact O-N 3.08Å; T226-L228 PolarHBondContact OG1-N 3.15Å; T226-N229 WeakPolarHBondContact O-CB 3.42Å; T226-N229 PolarHBondContact O-N 3.48Å; T226-R327 PolarHBondContact OG1-NH1 2.73Å; T226-R327 VanDerWaalsContact OG1-NH1 3.13Å
227	E	97.6	Very high	98.2	Very high	63 Å²	63	43.8 Å²	43.8	29%	0.294	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-15	172.9	66.4	-87.6	-162.7	0	0	114.5	N229 R327 Y331	E227-N229 VanDerWaalsContact C-N 3.26Å; E227-N229 PolarHBondContact O-N 3.39Å; E227-R327 IonicContact OE1-CZ 2.78Å; E227-R327 IonicContact OE1-NH1 2.58Å; E227-R327 PolarHBondContact OE1-NH1 3.09Å; E227-R327 IonicContact OE1-NH2 2.69Å; E227-R327 PolarHBondContact OE1-NH2 3.29Å; E227-R327 IonicContact OE2-CZ 2.72Å; E227-R327 IonicContact OE2-NH1 3.11Å; E227-R327 PolarHBondContact OE2-NH1 2.92Å; E227-Y331 HydrophobicContact CB-CD2 4.5Å; E227-Y331 HydrophobicContact CB-CE1 4.36Å; E227-Y331 HydrophobicContact CB-CE2 4.07Å; E227-Y331 HydrophobicContact CG-CD1 3.62Å; E227-Y331 HydrophobicContact CG-CD2 3.68Å; E227-Y331 HydrophobicContact CG-CE1 3.6Å; E227-Y331 HydrophobicContact CG-CE2 3.67Å; E227-Y331 HydrophobicContact CG-CG 3.67Å
228	L	98.4	Very high	98.2	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1	173.5	-70.1	175.9	0	0	0	114	W223 T226 S230 I233 R327 L330 Y331 K334	W223-L228 HydrophobicContact CB-CD1 4.2Å; W223-L228 HydrophobicContact CD2-CD1 4.41Å; W223-L228 HydrophobicContact CE3-CD1 4.35Å; W223-L228 HydrophobicContact CG-CD1 4.39Å; T226-L228 PolarHBondContact O-N 2.82Å; T226-L228 VanDerWaalsContact O-N 3.08Å; T226-L228 PolarHBondContact OG1-N 3.15Å; L228-S230 WeakPolarHBondContact O-CB 3.3Å; L228-S230 PolarHBondContact O-N 3.3Å; L228-S230 PolarHBondContact O-OG 3.18Å; L228-I233 HydrophobicContact CB-CG1 4.39Å; L228-I233 WeakPolarHBondContact O-CG1 3.5Å; L228-R327 HydrophobicContact CD1-CG 3.63Å; L228-L330 HydrophobicContact CD1-CB 4.5Å; L228-L330 HydrophobicContact CD1-CD2 3.8Å; L228-L330 HydrophobicContact CD1-CG 4.13Å; L228-L330 HydrophobicContact CD2-CD2 4.45Å; L228-L330 HydrophobicContact CD2-CG 4.12Å; L228-Y331 HydrophobicContact CD2-CD2 4.06Å; L228-Y331 HydrophobicContact CD2-CG 4.47Å; L228-K334 HydrophobicContact CD2-CD 4.5Å
229	N	98.1	Very high	98.2	Very high	61 Å²	61	48.1 Å²	48.1	33%	0.326	24%	0.236	S	C	.	.			trans	-49.3	110.4	177.5	-178	-77.8	0	0	0	111.6	N224 T226 E227 S373 V374	N224-N229 WeakPolarHBondContact O-CA 3.29Å; N224-N229 WeakPolarHBondContact O-CB 3.44Å; N224-N229 PolarHBondContact O-ND2 3.27Å; N224-N229 WeakPolarHBondContact OD1-CA 3.37Å; T226-N229 WeakPolarHBondContact O-CB 3.42Å; T226-N229 PolarHBondContact O-N 3.48Å; E227-N229 VanDerWaalsContact C-N 3.26Å; E227-N229 PolarHBondContact O-N 3.39Å; N229-S373 WeakPolarHBondContact O-CA 3.37Å; N229-S373 WeakPolarHBondContact O-CB 3.38Å; N229-V374 HydrophobicContact CB-CG1 3.99Å; N229-V374 HydrophobicContact CB-CG2 3.78Å; N229-V374 PolarHBondContact O-N 2.87Å; N229-V374 VanDerWaalsContact O-N 3.16Å; N229-V374 WeakPolarHBondContact OD1-CG1 3.35Å
230	S	97.8	Very high	98.2	Very high	7 Å²	7	47.3 Å²	47.3	5%	0.049	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-163.9	156.3	-174.2	61.7	0	0	0	0	111.5	N224 L228 L232 I233 E234 R372	N224-S230 PolarHBondContact OD1-N 3.09Å; N224-S230 PolarHBondContact OD1-O 3.42Å; N224-S230 VanDerWaalsContact OD1-O 3.1Å; L228-S230 WeakPolarHBondContact O-CB 3.3Å; L228-S230 PolarHBondContact O-N 3.3Å; L228-S230 PolarHBondContact O-OG 3.18Å; S230-L232 VanDerWaalsContact C-N 3.27Å; S230-L232 PolarHBondContact O-N 3.22Å; S230-I233 PolarHBondContact O-N 3.36Å; S230-I233 WeakPolarHBondContact OG-CB 3.35Å; S230-I233 WeakPolarHBondContact OG-CG1 3.38Å; S230-I233 PolarHBondContact OG-N 2.79Å; S230-E234 PolarHBondContact O-N 3.49Å; S230-R372 WeakPolarHBondContact CA-O 3.45Å
231	Y	96.7	Very high	98.1	Very high	45 Å²	45	51.5 Å²	51.5	18%	0.176	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-39.5	178.1	172.6	-116.9	0	0	0	113	E234 L235 I370 R372	Y231-E234 PolarHBondContact O-N 3.18Å; Y231-L235 HydrophobicContact CE1-CD2 4.09Å; Y231-L235 WeakPolarHBondContact O-CB 3.35Å; Y231-L235 PolarHBondContact O-N 3.17Å; Y231-I370 HydrophobicContact CD1-CG2 4.28Å; Y231-I370 WeakPolarHBondContact CD1-O 3.19Å; Y231-I370 HydrophobicContact CE1-CD1 4.2Å; Y231-I370 HydrophobicContact CE1-CG2 4.4Å; Y231-R372 VanDerWaalsContact CD1-NH1 3.29Å; Y231-R372 VanDerWaalsContact CG-NH2 3.32Å; Y231-R372 PolarHBondContact N-O 3.3Å; Y231-R372 VanDerWaalsContact N-O 3.12Å
232	L	98	Very high	98.1	Very high	18 Å²	18	52.3 Å²	52.3	9%	0.094	25%	0.254	C	S	.	.	H	α-helix	trans	-69.7	-33.7	-178.1	-72.5	175.4	0	0	0	112.7	D194 M195 I198 S230 A236 I370	D194-L232 HydrophobicContact CB-CD1 3.71Å; M195-L232 HydrophobicContact CG-CD1 4.24Å; M195-L232 HydrophobicContact CG-CD2 4.33Å; I198-L232 HydrophobicContact CD1-CB 3.59Å; S230-L232 VanDerWaalsContact C-N 3.27Å; S230-L232 PolarHBondContact O-N 3.22Å; L232-A236 VanDerWaalsContact O-CB 3.32Å; L232-A236 WeakPolarHBondContact O-CB 3.32Å; L232-A236 PolarHBondContact O-N 3.19Å; L232-I370 HydrophobicContact CD1-CG2 4.41Å; L232-I370 HydrophobicContact CD2-CG2 3.75Å; L232-I370 HydrophobicContact CG-CG2 4.17Å
233	I	98.6	Very high	98	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-71.3	-43.7	175.4	-66.7	-68.8	0	0	0	110.4	I198 F220 W223 N224 L228 S230 L235 A236 A237 L330	I198-I233 HydrophobicContact CD1-CD1 3.73Å; I198-I233 HydrophobicContact CD1-CG1 4.21Å; I198-I233 HydrophobicContact CG1-CD1 3.71Å; F220-I233 HydrophobicContact CD1-CD1 3.9Å; F220-I233 HydrophobicContact CD1-CG2 4.22Å; F220-I233 HydrophobicContact CE1-CD1 3.92Å; F220-I233 VanDerWaalsContact O-CG2 3.3Å; F220-I233 WeakPolarHBondContact O-CG2 3.41Å; W223-I233 HydrophobicContact CB-CG2 4.31Å; N224-I233 HydrophobicContact CB-CG2 3.74Å; L228-I233 HydrophobicContact CB-CG1 4.39Å; L228-I233 WeakPolarHBondContact O-CG1 3.5Å; S230-I233 PolarHBondContact O-N 3.36Å; S230-I233 WeakPolarHBondContact OG-CB 3.35Å; S230-I233 WeakPolarHBondContact OG-CG1 3.38Å; S230-I233 PolarHBondContact OG-N 2.79Å; I233-L235 VanDerWaalsContact C-N 3.34Å; I233-L235 PolarHBondContact O-N 2.77Å; I233-A236 PolarHBondContact O-N 3.01Å; I233-A237 PolarHBondContact O-N 3.43Å; I233-A237 VanDerWaalsContact O-N 3.16Å; I233-L330 HydrophobicContact CD1-CD2 4.11Å
234	E	98.1	Very high	98	Very high	73 Å²	73	54.3 Å²	54.3	34%	0.341	27%	0.266	S	S	.	.	H	α-helix	trans	-57.4	-46.8	171.9	-171.9	-165.8	156.1	0	0	111.6	S230 Y231 A236 A237 K238	S230-E234 PolarHBondContact O-N 3.49Å; Y231-E234 PolarHBondContact O-N 3.18Å; E234-A236 VanDerWaalsContact C-N 3.35Å; E234-A236 PolarHBondContact O-N 3.43Å; E234-A237 PolarHBondContact O-N 2.93Å; E234-K238 PolarHBondContact O-N 2.77Å; E234-K238 VanDerWaalsContact O-N 3.14Å; E234-K238 WeakPolarHBondContact OE1-CE 3.44Å; E234-K238 IonicContact OE1-NZ 3.57Å; E234-K238 PolarHBondContact OE1-NZ 3.2Å
235	L	97.2	Very high	97.9	Very high	60 Å²	60	58.1 Å²	58.1	31%	0.314	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-38.5	179.6	-175.6	62.1	0	0	0	111.6	Y231 I233 A237 K238 V239	Y231-L235 HydrophobicContact CE1-CD2 4.09Å; Y231-L235 WeakPolarHBondContact O-CB 3.35Å; Y231-L235 PolarHBondContact O-N 3.17Å; I233-L235 VanDerWaalsContact C-N 3.34Å; I233-L235 PolarHBondContact O-N 2.77Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 2.9Å; L235-K238 PolarHBondContact O-N 3.07Å; L235-V239 HydrophobicContact CD1-CG2 4.17Å; L235-V239 HydrophobicContact CG-CG2 4.23Å; L235-V239 WeakPolarHBondContact O-CB 3.45Å; L235-V239 VanDerWaalsContact O-CG2 3.3Å; L235-V239 WeakPolarHBondContact O-CG2 3.32Å; L235-V239 PolarHBondContact O-N 2.69Å
236	A	98.5	Very high	97.8	Very high	17 Å²	17	55.2 Å²	55.2	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-58.6	-45.5	175.6	0	0	0	0	0	111.4	I198 F220 L232 I233 E234 K238 V239 L240	I198-A236 HydrophobicContact CG2-CB 3.86Å; F220-A236 HydrophobicContact CD1-CB 3.94Å; F220-A236 HydrophobicContact CE1-CB 4.19Å; F220-A236 HydrophobicContact CG-CB 4.26Å; L232-A236 VanDerWaalsContact O-CB 3.32Å; L232-A236 WeakPolarHBondContact O-CB 3.32Å; L232-A236 PolarHBondContact O-N 3.19Å; I233-A236 PolarHBondContact O-N 3.01Å; E234-A236 VanDerWaalsContact C-N 3.35Å; E234-A236 PolarHBondContact O-N 3.43Å; A236-K238 PolarHBondContact O-N 2.99Å; A236-V239 PolarHBondContact O-N 2.91Å; A236-L240 WeakPolarHBondContact O-CB 3.42Å; A236-L240 WeakPolarHBondContact O-CD1 3.43Å; A236-L240 WeakPolarHBondContact O-CG 3.41Å; A236-L240 PolarHBondContact O-N 3.31Å
237	A	98.5	Very high	97.7	Very high	3 Å²	3	54.9 Å²	54.9	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-47.9	174.6	0	0	0	0	0	112.2	F220 E221 I233 E234 L235 V239 L240 R241	F220-A237 HydrophobicContact CB-CB 3.91Å; E221-A237 HydrophobicContact CG-CB 3.76Å; I233-A237 PolarHBondContact O-N 3.43Å; I233-A237 VanDerWaalsContact O-N 3.16Å; E234-A237 PolarHBondContact O-N 2.93Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 2.9Å; A237-V239 PolarHBondContact O-N 2.95Å; A237-L240 PolarHBondContact O-N 3.13Å; A237-R241 WeakPolarHBondContact O-CG 3.43Å; A237-R241 PolarHBondContact O-N 3.21Å; A237-R241 VanDerWaalsContact O-N 3.17Å
238	K	98	Very high	97.6	Very high	119 Å²	119	57 Å²	57	52%	0.517	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-44.3	178.5	-69.6	178.9	-174.8	173.9	0	112.4	E234 L235 A236 R241 L242	E234-K238 PolarHBondContact O-N 2.77Å; E234-K238 VanDerWaalsContact O-N 3.14Å; E234-K238 WeakPolarHBondContact OE1-CE 3.44Å; E234-K238 IonicContact OE1-NZ 3.57Å; E234-K238 PolarHBondContact OE1-NZ 3.2Å; L235-K238 PolarHBondContact O-N 3.07Å; A236-K238 PolarHBondContact O-N 2.99Å; K238-R241 PolarHBondContact O-N 3.3Å; K238-L242 PolarHBondContact O-N 2.96Å
239	V	97.6	Very high	97.5	Very high	62 Å²	62	58.2 Å²	58.2	38%	0.376	31%	0.312	S	S	.	.	H	α-helix	trans	-65.5	-39	179.2	170.3	0	0	0	0	111.3	L235 A236 A237 R241 L242 V251	L235-V239 HydrophobicContact CD1-CG2 4.17Å; L235-V239 HydrophobicContact CG-CG2 4.23Å; L235-V239 WeakPolarHBondContact O-CB 3.45Å; L235-V239 VanDerWaalsContact O-CG2 3.3Å; L235-V239 WeakPolarHBondContact O-CG2 3.32Å; L235-V239 PolarHBondContact O-N 2.69Å; A236-V239 PolarHBondContact O-N 2.91Å; A237-V239 PolarHBondContact O-N 2.95Å; V239-R241 VanDerWaalsContact C-N 3.29Å; V239-R241 PolarHBondContact O-N 3.5Å; V239-L242 PolarHBondContact O-N 3.18Å; V239-V251 HydrophobicContact CG1-CB 4.4Å; V239-V251 HydrophobicContact CG1-CG2 4.33Å
240	L	98.4	Very high	97.6	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-66.2	-29	177.6	-73.2	166.1	0	0	0	113.1	Y202 M216 A217 F220 A236 A237 Q249 V251	Y202-L240 HydrophobicContact CD2-CD2 3.74Å; Y202-L240 HydrophobicContact CE2-CD2 3.66Å; M216-L240 HydrophobicContact CB-CD1 3.89Å; M216-L240 HydrophobicContact SD-CD2 4.49Å; A217-L240 HydrophobicContact CB-CB 3.96Å; F220-L240 HydrophobicContact CD2-CD1 3.47Å; F220-L240 VanDerWaalsContact CD2-CD1 3.47Å; F220-L240 HydrophobicContact CE2-CD1 3.84Å; F220-L240 HydrophobicContact CG-CD1 4.34Å; A236-L240 WeakPolarHBondContact O-CB 3.42Å; A236-L240 WeakPolarHBondContact O-CD1 3.43Å; A236-L240 WeakPolarHBondContact O-CG 3.41Å; A236-L240 PolarHBondContact O-N 3.31Å; A237-L240 PolarHBondContact O-N 3.13Å; L240-Q249 WeakPolarHBondContact O-CG 3.36Å; L240-V251 HydrophobicContact CD2-CG1 4.3Å
241	R	97.6	Very high	97.5	Very high	89 Å²	89	59.5 Å²	59.5	34%	0.336	32%	0.319	S	S	.	.	H	α-helix	trans	-80.9	-22.2	177	-67.7	-168.5	-178.8	-70.1	2.7	114.3	A217 E221 A237 K238 V239 K243	A217-R241 HydrophobicContact CB-CG 3.43Å; A217-R241 VanDerWaalsContact CB-CG 3.43Å; E221-R241 IonicContact OE1-CZ 2.67Å; E221-R241 VanDerWaalsContact OE1-CZ 3.24Å; E221-R241 IonicContact OE1-NE 2.8Å; E221-R241 PolarHBondContact OE1-NE 3.06Å; E221-R241 IonicContact OE1-NH2 3.13Å; E221-R241 PolarHBondContact OE1-NH2 3.16Å; E221-R241 IonicContact OE2-CZ 2.7Å; E221-R241 IonicContact OE2-NE 3.76Å; E221-R241 IonicContact OE2-NH2 3.91Å; E221-R241 PolarHBondContact OE2-NH2 2.88Å; A237-R241 WeakPolarHBondContact O-CG 3.43Å; A237-R241 PolarHBondContact O-N 3.21Å; A237-R241 VanDerWaalsContact O-N 3.17Å; K238-R241 PolarHBondContact O-N 3.3Å; V239-R241 VanDerWaalsContact C-N 3.29Å; V239-R241 PolarHBondContact O-N 3.5Å; R241-K243 PolarHBondContact O-N 2.7Å
242	L	97.8	Very high	97.5	Very high	95 Å²	95	60.3 Å²	60.3	50%	0.497	33%	0.331	S	S	.	.			trans	-66.9	119	-172.8	-176.9	61.5	0	0	0	110.2	K238 V239 Q249 L250	K238-L242 PolarHBondContact O-N 2.96Å; V239-L242 PolarHBondContact O-N 3.18Å; L242-Q249 CarbonylContact O-C 3.53Å; L242-Q249 WeakPolarHBondContact O-CA 3.19Å; L242-L250 HydrophobicContact CD2-CD2 3.71Å; L242-L250 HydrophobicContact CG-CB 4.4Å; L242-L250 HydrophobicContact CG-CD2 4.27Å; L242-L250 PolarHBondContact O-N 3.11Å
243	K	97.5	Very high	97.5	Very high	112 Å²	112	63.2 Å²	63.2	49%	0.487	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-93.4	145.2	175.6	-66.8	-179.9	173.4	-167.5	0	110.8	R241 G247 E248	R241-K243 PolarHBondContact O-N 2.7Å; K243-G247 VanDerWaalsContact CD-O 3.3Å; K243-G247 WeakPolarHBondContact CD-O 3.41Å; K243-E248 CarbonylContact C-O 3.51Å; K243-E248 VanDerWaalsContact CA-O 3.31Å; K243-E248 WeakPolarHBondContact CA-O 3.45Å
244	D	97.5	Very high	97.5	Very high	64 Å²	64	68 Å²	68	34%	0.342	37%	0.367	S	S	.	.			trans	-80.4	176	168.7	-167.1	16	0	0	0	110.5	D246 G247 E248 L250 K253	D244-D246 PolarHBondContact O-N 3.26Å; D244-D246 VanDerWaalsContact O-N 3.1Å; D244-G247 PolarHBondContact O-N 2.58Å; D244-E248 PolarHBondContact N-O 2.93Å; D244-L250 HydrophobicContact CB-CB 4.38Å; D244-L250 HydrophobicContact CB-CD1 4.11Å; D244-K253 HydrophobicContact CB-CD 4.38Å; D244-K253 WeakPolarHBondContact OD2-CD 3.37Å; D244-K253 IonicContact OD2-NZ 2.58Å; D244-K253 PolarHBondContact OD2-NZ 2.89Å
245	A	97.1	Very high	97.5	Very high	107 Å²	107	69.5 Å²	69.5	88%	0.884	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.6	-174.7	0	0	0	0	0	114.8
246	D	96.7	Very high	97.5	Very high	103 Å²	103	69.9 Å²	69.9	55%	0.551	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	1	176.6	63.4	2.2	0	0	0	114.1	D244 E248 K253	D244-D246 PolarHBondContact O-N 3.26Å; D244-D246 VanDerWaalsContact O-N 3.1Å; D246-E248 PolarHBondContact OD1-N 3.34Å; D246-E248 VanDerWaalsContact OD1-N 3.13Å; D246-K253 IonicContact OD1-NZ 3.13Å; D246-K253 PolarHBondContact OD1-NZ 2.87Å; D246-K253 IonicContact OD2-NZ 3.38Å; D246-K253 PolarHBondContact OD2-NZ 2.99Å
247	G	95.9	Very high	97.5	Very high	37 Å²	37	73.1 Å²	73.1	38%	0.381	39%	0.391	S	S	.	.	S	Bend	trans	88.3	-3.5	178	0	0	0	0	0	115.3	K243 D244	K243-G247 VanDerWaalsContact CD-O 3.3Å; K243-G247 WeakPolarHBondContact CD-O 3.41Å; D244-G247 PolarHBondContact O-N 2.58Å
248	E	95.5	Very high	97.4	Very high	108 Å²	108	74.9 Å²	74.9	51%	0.505	41%	0.405	S	S	.	.	S	Bend	trans	-78.4	152.9	170.5	-64	-168.7	169.5	0	0	111.3	K243 D244 D246 L250 K253	K243-E248 CarbonylContact C-O 3.51Å; K243-E248 VanDerWaalsContact CA-O 3.31Å; K243-E248 WeakPolarHBondContact CA-O 3.45Å; D244-E248 PolarHBondContact N-O 2.93Å; D246-E248 PolarHBondContact OD1-N 3.34Å; D246-E248 VanDerWaalsContact OD1-N 3.13Å; E248-L250 PolarHBondContact O-N 2.89Å; E248-K253 WeakPolarHBondContact OE2-CE 3.46Å
249	Q	97.2	Very high	97.2	Very high	31 Å²	31	72 Å²	72	15%	0.145	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-65.3	122.3	178.4	-74	78	9	0	0	111.2	H213 D214 L240 L242 V251 S252	H213-Q249 HydrophobicContact CB-CB 4.2Å; H213-Q249 HydrophobicContact CB-CG 3.62Å; D214-Q249 PolarHBondContact OD1-NE2 3.38Å; L240-Q249 WeakPolarHBondContact O-CG 3.36Å; L242-Q249 CarbonylContact O-C 3.53Å; L242-Q249 WeakPolarHBondContact O-CA 3.19Å; Q249-V251 HydrophobicContact CB-CG1 4.33Å; Q249-V251 PolarHBondContact O-N 3.42Å; Q249-S252 PolarHBondContact O-N 2.92Å; Q249-S252 PolarHBondContact O-OG 3.1Å
250	L	98.2	Very high	96.9	Very high	60 Å²	60	72.4 Å²	72.4	31%	0.314	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-54.7	-36	-174.6	178.4	62	0	0	0	112.5	L242 D244 E248 S252 K253 I254	L242-L250 HydrophobicContact CD2-CD2 3.71Å; L242-L250 HydrophobicContact CG-CB 4.4Å; L242-L250 HydrophobicContact CG-CD2 4.27Å; L242-L250 PolarHBondContact O-N 3.11Å; D244-L250 HydrophobicContact CB-CB 4.38Å; D244-L250 HydrophobicContact CB-CD1 4.11Å; E248-L250 PolarHBondContact O-N 2.89Å; L250-S252 PolarHBondContact O-N 3.42Å; L250-K253 WeakPolarHBondContact O-CB 3.46Å; L250-K253 PolarHBondContact O-N 3Å; L250-I254 PolarHBondContact O-N 3.43Å
251	V	97.6	Very high	96.2	Very high	34 Å²	34	80.8 Å²	80.8	21%	0.206	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-59.6	-27.9	-179.1	71.5	0	0	0	0	113.6	H213 V239 L240 Q249 K253	H213-V251 VanDerWaalsContact CD2-CG1 3.4Å; H213-V251 WeakPolarHBondContact CD2-CG1 3.49Å; V239-V251 HydrophobicContact CG1-CB 4.4Å; V239-V251 HydrophobicContact CG1-CG2 4.33Å; L240-V251 HydrophobicContact CD2-CG1 4.3Å; Q249-V251 HydrophobicContact CB-CG1 4.33Å; Q249-V251 PolarHBondContact O-N 3.42Å; V251-K253 PolarHBondContact O-N 3.36Å
252	S	96.1	Very high	95.6	Very high	63 Å²	63	77.5 Å²	77.5	44%	0.441	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-71.5	-17.1	176.5	69	0	0	0	0	112.9	Q249 L250	Q249-S252 PolarHBondContact O-N 2.92Å; Q249-S252 PolarHBondContact O-OG 3.1Å; L250-S252 PolarHBondContact O-N 3.42Å
253	K	97.2	Very high	95.2	Very high	79 Å²	79	73.4 Å²	73.4	34%	0.343	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-101.7	-8	-178.2	-57	-174.6	-175.7	174.4	0	113.7	D244 D246 E248 L250 V251 L255	D244-K253 HydrophobicContact CB-CD 4.38Å; D244-K253 WeakPolarHBondContact OD2-CD 3.37Å; D244-K253 IonicContact OD2-NZ 2.58Å; D244-K253 PolarHBondContact OD2-NZ 2.89Å; D246-K253 IonicContact OD1-NZ 3.13Å; D246-K253 PolarHBondContact OD1-NZ 2.87Å; D246-K253 IonicContact OD2-NZ 3.38Å; D246-K253 PolarHBondContact OD2-NZ 2.99Å; E248-K253 WeakPolarHBondContact OE2-CE 3.46Å; L250-K253 WeakPolarHBondContact O-CB 3.46Å; L250-K253 PolarHBondContact O-N 3Å; V251-K253 PolarHBondContact O-N 3.36Å; K253-L255 PolarHBondContact O-N 2.94Å
254	I	98.3	Very high	94.7	Very high	103 Å²	103	68.1 Å²	68.1	53%	0.528	39%	0.393	S	S	.	.	S	Bend	trans	-72.7	128.9	177.8	-64.6	175.8	0	0	0	109	L250 D256	L250-I254 PolarHBondContact O-N 3.43Å; I254-D256 PolarHBondContact O-N 3.35Å
255	L	98.1	Very high	94.4	Very high	106 Å²	106	71.4 Å²	71.4	56%	0.555	41%	0.405	S	S	*	.			trans	-61.4	125.7	174.1	-176.2	62.5	0	0	0	110.2	K253 K257 K294	K253-L255 PolarHBondContact O-N 2.94Å; L255-K257 HydrophobicContact CD2-CB 4.43Å; L255-K257 HydrophobicContact CD2-CD 3.78Å; L255-K257 HydrophobicContact CD2-CG 4.1Å; L255-K257 HydrophobicContact CG-CB 4.3Å; L255-K257 HydrophobicContact CG-CD 4.26Å; L255-K257 HydrophobicContact CG-CG 4.02Å; L255-K257 PolarHBondContact O-N 3.39Å; L255-K294 HydrophobicContact CD1-CG 4.38Å
256	D	98	Very high	94.2	Very high	68 Å²	68	70 Å²	70	36%	0.364	38%	0.376	S	S	.	.	S	Bend	trans	-76.2	52.5	-178.4	62.3	-47.2	0	0	0	112.7	I254 S291 K294 R297	I254-D256 PolarHBondContact O-N 3.35Å; D256-S291 WeakPolarHBondContact O-CB 3.37Å; D256-K294 VanDerWaalsContact OD1-CD 3.29Å; D256-K294 WeakPolarHBondContact OD1-CD 3.15Å; D256-K294 WeakPolarHBondContact OD1-CE 3.33Å; D256-K294 IonicContact OD1-NZ 3.24Å; D256-K294 PolarHBondContact OD1-NZ 3.41Å; D256-K294 IonicContact OD2-NZ 3.72Å; D256-K294 PolarHBondContact OD2-NZ 3.19Å; D256-R297 PolarHBondContact O-NH2 3.04Å; D256-R297 IonicContact OD1-NH2 2.66Å; D256-R297 IonicContact OD2-CZ 2.82Å; D256-R297 VanDerWaalsContact OD2-CZ 3.24Å; D256-R297 IonicContact OD2-NH1 2.8Å; D256-R297 PolarHBondContact OD2-NH1 3.29Å; D256-R297 IonicContact OD2-NH2 3.75Å; D256-R297 PolarHBondContact OD2-NH2 3.27Å
257	K	98	Very high	94.2	Very high	85 Å²	85	65.1 Å²	65.1	37%	0.37	35%	0.35	S	S	.	.			trans	-118.6	92.9	173.3	-73.3	-172.4	178.6	-179.6	0	109.1	L255 G259 K294 D295	L255-K257 HydrophobicContact CD2-CB 4.43Å; L255-K257 HydrophobicContact CD2-CD 3.78Å; L255-K257 HydrophobicContact CD2-CG 4.1Å; L255-K257 HydrophobicContact CG-CB 4.3Å; L255-K257 HydrophobicContact CG-CD 4.26Å; L255-K257 HydrophobicContact CG-CG 4.02Å; L255-K257 PolarHBondContact O-N 3.39Å; K257-G259 PolarHBondContact O-N 3.26Å; K257-K294 HydrophobicContact CD-CB 4.15Å; K257-K294 HydrophobicContact CG-CB 3.91Å; K257-D295 IonicContact NZ-OD2 3.23Å; K257-D295 PolarHBondContact NZ-OD2 3.41Å
258	A	98	Very high	94.2	Very high	40 Å²	40	63.6 Å²	63.6	33%	0.331	34%	0.335	S	S	.	.			trans	-73.6	120.9	-179.1	0	0	0	0	0	111.5	R288 S291	A258-R288 HydrophobicContact CB-CB 4.23Å; A258-R288 HydrophobicContact CB-CG 3.94Å; A258-S291 WeakPolarHBondContact CB-OG 3.32Å; A258-S291 PolarHBondContact N-OG 2.7Å
259	G	93.9	Very high	94.2	Very high	59 Å²	59	60.9 Å²	60.9	61%	0.608	33%	0.331	S	S	*	.			trans	-74.5	161.7	170.7	0	0	0	0	0	113	K257 R288	K257-G259 PolarHBondContact O-N 3.26Å; G259-R288 PolarHBondContact O-NH1 3.43Å
260	Q	91.1	Very high	94.3	Very high	70 Å²	70	59.6 Å²	59.6	33%	0.327	33%	0.326	S	S	.	.			trans	-149.5	149.5	169.8	54.9	173.6	-28.6	0	0	111	Y192	Y192-Q260 HydrophobicContact CE2-CB 3.97Å; Y192-Q260 WeakPolarHBondContact OH-CB 3.1Å
261	K	83.8	Confident	94.2	Very high	184 Å²	184	56.9 Å²	56.9	80%	0.8	31%	0.311	S	S	*	.			trans	-101.6	14.6	-178.7	-66.6	-175.3	179.3	175.8	0	113.5	T263	K261-T263 PolarHBondContact O-N 2.83Å
262	G	84.5	Confident	94.2	Very high	20 Å²	20	62 Å²	62	21%	0.206	34%	0.337	C	S	.	.	S	Bend	trans	91	-28.3	177.2	0	0	0	0	0	115.5	G264 K265 W266	G262-G264 VanDerWaalsContact C-N 3.34Å; G262-G264 PolarHBondContact O-N 3.15Å; G262-K265 WeakPolarHBondContact O-CA 3.4Å; G262-K265 VanDerWaalsContact O-CB 3.31Å; G262-K265 WeakPolarHBondContact O-CB 3.44Å; G262-K265 PolarHBondContact O-N 2.9Å; G262-W266 PolarHBondContact O-N 3.35Å
263	T	88.1	Confident	94.3	Very high	9 Å²	9	64.3 Å²	64.3	6%	0.055	34%	0.341	C	S	.	.	H	α-helix	trans	-57.9	-41.1	-175.2	55.9	0	0	0	0	114	N104 N188 K261 K265 W266 T267	N104-T263 HydrophobicContact CB-CG2 3.94Å; N188-T263 WeakPolarHBondContact ND2-CB 3.43Å; N188-T263 PolarHBondContact ND2-OG1 3.14Å; K261-T263 PolarHBondContact O-N 2.83Å; T263-K265 VanDerWaalsContact C-N 3.32Å; T263-K265 PolarHBondContact O-N 3.37Å; T263-W266 HydrophobicContact CG2-CE3 3.99Å; T263-W266 HydrophobicContact CG2-CZ3 3.84Å; T263-W266 PolarHBondContact O-N 3.44Å; T263-T267 PolarHBondContact O-N 2.92Å; T263-T267 VanDerWaalsContact O-N 3.14Å; T263-T267 PolarHBondContact O-OG1 2.88Å
264	G	87	Confident	94.2	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-34.7	176.3	0	0	0	0	0	112.7	G262 T267 G268 V285	G262-G264 VanDerWaalsContact C-N 3.34Å; G262-G264 PolarHBondContact O-N 3.15Å; G264-T267 WeakPolarHBondContact O-CB 3.32Å; G264-T267 PolarHBondContact O-N 3.26Å; G264-G268 PolarHBondContact O-N 3.02Å; G264-G268 VanDerWaalsContact O-N 3.16Å; G264-V285 WeakPolarHBondContact O-CG2 3.36Å
265	K	91.7	Very high	94.2	Very high	134 Å²	134	59.9 Å²	59.9	58%	0.583	34%	0.335	S	S	*	.	H	α-helix	trans	-64.6	-40.6	173.9	-177.7	-176	176	-176	0	111.1	G262 T263 T267 G268 A269 V285	G262-K265 WeakPolarHBondContact O-CA 3.4Å; G262-K265 VanDerWaalsContact O-CB 3.31Å; G262-K265 WeakPolarHBondContact O-CB 3.44Å; G262-K265 PolarHBondContact O-N 2.9Å; T263-K265 VanDerWaalsContact C-N 3.32Å; T263-K265 PolarHBondContact O-N 3.37Å; K265-T267 VanDerWaalsContact C-N 3.32Å; K265-T267 PolarHBondContact O-N 3.47Å; K265-G268 PolarHBondContact O-N 3.06Å; K265-A269 WeakPolarHBondContact O-CB 3.42Å; K265-A269 PolarHBondContact O-N 3.32Å; K265-V285 HydrophobicContact CB-CG1 4.45Å
266	W	94.1	Very high	94.2	Very high	76 Å²	76	55.6 Å²	55.6	29%	0.288	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-38.8	175.6	-58.6	-32.6	0	0	0	112.1	N104 D106 M185 G262 T263 G268 A269 S270	N104-W266 WeakPolarHBondContact O-CZ3 3.41Å; D106-W266 HydrophobicContact CB-CH2 4.32Å; D106-W266 HydrophobicContact CB-CZ2 4.47Å; D106-W266 HydrophobicContact CB-CZ3 4.42Å; M185-W266 HydrophobicContact CG-CB 4.05Å; M185-W266 HydrophobicContact SD-CB 3.41Å; M185-W266 WeakPolarHBondContact SD-CB 3.45Å; G262-W266 PolarHBondContact O-N 3.35Å; T263-W266 HydrophobicContact CG2-CE3 3.99Å; T263-W266 HydrophobicContact CG2-CZ3 3.84Å; T263-W266 PolarHBondContact O-N 3.44Å; W266-G268 VanDerWaalsContact C-N 3.34Å; W266-G268 PolarHBondContact O-N 3.47Å; W266-A269 PolarHBondContact O-N 3.35Å; W266-S270 WeakPolarHBondContact O-CB 3.41Å; W266-S270 PolarHBondContact O-N 3.47Å
267	T	95.9	Very high	94.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-57.6	-47.7	173.1	-39.3	0	0	0	0	111.4	M185 T263 G264 K265 A271 L278 I281 M344	M185-T267 PolarHBondContact O-OG1 3.32Å; T263-T267 PolarHBondContact O-N 2.92Å; T263-T267 VanDerWaalsContact O-N 3.14Å; T263-T267 PolarHBondContact O-OG1 2.88Å; G264-T267 WeakPolarHBondContact O-CB 3.32Å; G264-T267 PolarHBondContact O-N 3.26Å; K265-T267 VanDerWaalsContact C-N 3.32Å; K265-T267 PolarHBondContact O-N 3.47Å; T267-A271 WeakPolarHBondContact O-CB 3.49Å; T267-A271 PolarHBondContact O-N 2.88Å; T267-L278 HydrophobicContact CG2-CD2 3.65Å; T267-I281 HydrophobicContact CG2-CG2 4.39Å; T267-M344 HydrophobicContact CG2-CE 3.63Å
268	G	96	Very high	94.1	Very high	6 Å²	6	51.9 Å²	51.9	6%	0.062	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-42	177.1	0	0	0	0	0	113.3	G264 K265 W266 A271 L272	G264-G268 PolarHBondContact O-N 3.02Å; G264-G268 VanDerWaalsContact O-N 3.16Å; K265-G268 PolarHBondContact O-N 3.06Å; W266-G268 VanDerWaalsContact C-N 3.34Å; W266-G268 PolarHBondContact O-N 3.47Å; G268-A271 PolarHBondContact O-N 3.13Å; G268-L272 WeakPolarHBondContact O-CG 3.37Å; G268-L272 PolarHBondContact O-N 3.04Å; G268-L272 VanDerWaalsContact O-N 3.13Å
269	A	96.5	Very high	94.1	Very high	51 Å²	51	51.8 Å²	51.8	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-45.2	177.1	0	0	0	0	0	112	K265 W266 A271 L272 E273	K265-A269 WeakPolarHBondContact O-CB 3.42Å; K265-A269 PolarHBondContact O-N 3.32Å; W266-A269 PolarHBondContact O-N 3.35Å; A269-A271 VanDerWaalsContact C-N 3.31Å; A269-A271 PolarHBondContact O-N 3.09Å; A269-L272 PolarHBondContact O-N 3.03Å; A269-E273 PolarHBondContact O-N 3.42Å
270	S	97.4	Very high	94.4	Very high	4 Å²	4	49 Å²	49	3%	0.028	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-36.4	177	-179	0	0	0	0	111.9	Y182 W266 E273 L274	Y182-S270 PolarHBondContact OH-OG 2.87Å; W266-S270 WeakPolarHBondContact O-CB 3.41Å; W266-S270 PolarHBondContact O-N 3.47Å; S270-E273 PolarHBondContact O-N 3.45Å; S270-L274 WeakPolarHBondContact O-CB 3.46Å; S270-L274 VanDerWaalsContact O-CG 3.26Å; S270-L274 WeakPolarHBondContact O-CG 3.48Å; S270-L274 PolarHBondContact O-N 3.38Å
271	A	97.7	Very high	94.7	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-42.3	175.2	0	0	0	0	0	112.2	T267 G268 A269 L274 G275 V276 L278	T267-A271 WeakPolarHBondContact O-CB 3.49Å; T267-A271 PolarHBondContact O-N 2.88Å; G268-A271 PolarHBondContact O-N 3.13Å; A269-A271 VanDerWaalsContact C-N 3.31Å; A269-A271 PolarHBondContact O-N 3.09Å; A271-L274 PolarHBondContact O-N 3.03Å; A271-G275 PolarHBondContact O-N 2.94Å; A271-G275 VanDerWaalsContact O-N 3.1Å; A271-V276 HydrophobicContact CB-CB 4.47Å; A271-V276 PolarHBondContact O-N 3.27Å; A271-L278 HydrophobicContact CB-CB 3.41Å; A271-L278 VanDerWaalsContact CB-CB 3.41Å; A271-L278 HydrophobicContact CB-CD2 3.74Å; A271-L278 HydrophobicContact CB-CG 4.19Å
272	L	97.3	Very high	95.4	Very high	141 Å²	141	38.4 Å²	38.4	74%	0.738	23%	0.225	S	C	*	.	H	α-helix	trans	-64.1	-42.2	175.1	-68.6	169.4	0	0	0	111.8	G268 A269 L274 G275	G268-L272 WeakPolarHBondContact O-CG 3.37Å; G268-L272 PolarHBondContact O-N 3.04Å; G268-L272 VanDerWaalsContact O-N 3.13Å; A269-L272 PolarHBondContact O-N 3.03Å; L272-L274 VanDerWaalsContact C-N 3.35Å; L272-G275 PolarHBondContact O-N 3.38Å
273	E	96.8	Very high	96	Very high	113 Å²	113	40.7 Å²	40.7	53%	0.528	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-36.5	177.3	-173.2	-176.1	173.7	0	0	112.8	A269 S270 G275	A269-E273 PolarHBondContact O-N 3.42Å; S270-E273 PolarHBondContact O-N 3.45Å; E273-G275 VanDerWaalsContact C-N 3.35Å
274	L	97	Very high	96.5	Very high	31 Å²	31	40.2 Å²	40.2	16%	0.162	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-1	-180	-66.6	174.7	0	0	0	113.7	Y182 S270 A271 L272 V276 A347 A348 K351	Y182-L274 VanDerWaalsContact OH-CD1 3.23Å; Y182-L274 WeakPolarHBondContact OH-CD1 3.45Å; S270-L274 WeakPolarHBondContact O-CB 3.46Å; S270-L274 VanDerWaalsContact O-CG 3.26Å; S270-L274 WeakPolarHBondContact O-CG 3.48Å; S270-L274 PolarHBondContact O-N 3.38Å; A271-L274 PolarHBondContact O-N 3.03Å; L272-L274 VanDerWaalsContact C-N 3.35Å; L274-V276 VanDerWaalsContact C-N 3.31Å; L274-V276 HydrophobicContact CB-CG2 3.93Å; L274-V276 PolarHBondContact O-N 3.07Å; L274-A347 HydrophobicContact CB-CB 4.3Å; L274-A347 HydrophobicContact CD1-CB 4.29Å; L274-A348 HydrophobicContact CD1-CB 4.07Å; L274-K351 HydrophobicContact CD2-CB 3.65Å; L274-K351 HydrophobicContact CD2-CD 4.34Å; L274-K351 HydrophobicContact CD2-CG 3.69Å
275	G	96.8	Very high	97.1	Very high	57 Å²	57	40.9 Å²	40.9	59%	0.588	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	27.9	-176.5	0	0	0	0	0	114.2	A271 L272 E273	A271-G275 PolarHBondContact O-N 2.94Å; A271-G275 VanDerWaalsContact O-N 3.1Å; L272-G275 PolarHBondContact O-N 3.38Å; E273-G275 VanDerWaalsContact C-N 3.35Å
276	V	97.8	Very high	97.4	Very high	17 Å²	17	40 Å²	40	10%	0.103	23%	0.228	C	C	.	.			trans	-97.1	128.9	-177.9	-179	0	0	0	0	110.9	A271 L274 L278 M343 M344 A347	A271-V276 HydrophobicContact CB-CB 4.47Å; A271-V276 PolarHBondContact O-N 3.27Å; L274-V276 VanDerWaalsContact C-N 3.31Å; L274-V276 HydrophobicContact CB-CG2 3.93Å; L274-V276 PolarHBondContact O-N 3.07Å; V276-L278 VanDerWaalsContact C-N 3.26Å; V276-L278 PolarHBondContact O-N 2.91Å; V276-M343 HydrophobicContact CG1-CB 4.24Å; V276-M344 HydrophobicContact CG1-CB 4.08Å; V276-A347 HydrophobicContact CG2-CB 3.36Å
277	P	97.2	Very high	97.6	Very high	70 Å²	70	37.2 Å²	37.2	46%	0.455	22%	0.22	S	C	.	.			trans	-76.5	66.9	-178.5	32.8	-38.3	0	0	0	113.1	S279 M343 F432	P277-S279 PolarHBondContact O-N 3.29Å; P277-M343 HydrophobicContact CG-CE 4.16Å; P277-F432 HydrophobicContact CB-CD2 4.43Å; P277-F432 HydrophobicContact CB-CE2 4.31Å; P277-F432 HydrophobicContact CG-CD2 4.48Å; P277-F432 HydrophobicContact CG-CE2 3.89Å
278	L	97.8	Very high	97.7	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	23%	0.225	C	C	.	.			trans	-81.4	51.2	-178.9	-162.2	73.8	0	0	0	112.5	T267 A271 V276 L280 I281 V282 Q340 M344	T267-L278 HydrophobicContact CG2-CD2 3.65Å; A271-L278 HydrophobicContact CB-CB 3.41Å; A271-L278 VanDerWaalsContact CB-CB 3.41Å; A271-L278 HydrophobicContact CB-CD2 3.74Å; A271-L278 HydrophobicContact CB-CG 4.19Å; V276-L278 VanDerWaalsContact C-N 3.26Å; V276-L278 PolarHBondContact O-N 2.91Å; L278-L280 PolarHBondContact O-N 3.36Å; L278-I281 HydrophobicContact CD1-CD1 3.77Å; L278-I281 HydrophobicContact CD1-CG1 4.49Å; L278-I281 HydrophobicContact CD2-CB 3.94Å; L278-I281 HydrophobicContact CD2-CD1 4.09Å; L278-I281 HydrophobicContact CD2-CG2 4.09Å; L278-I281 HydrophobicContact CG-CB 3.95Å; L278-I281 HydrophobicContact CG-CD1 4.06Å; L278-I281 HydrophobicContact CG-CG1 4.38Å; L278-V282 WeakPolarHBondContact O-CB 3.37Å; L278-V282 VanDerWaalsContact O-CG2 3.28Å; L278-V282 WeakPolarHBondContact O-CG2 3.33Å; L278-V282 PolarHBondContact O-N 3.42Å; L278-Q340 HydrophobicContact CD1-CB 3.61Å; L278-M344 HydrophobicContact CD1-CB 4.38Å
279	S	98.3	Very high	97.8	Very high	38 Å²	38	40.7 Å²	40.7	27%	0.266	24%	0.239	S	C	.	.	H	α-helix	trans	-59.4	-45.8	-167.1	62.6	0	0	0	0	113.7	P277 V282 E283 Q340 S428	P277-S279 PolarHBondContact O-N 3.29Å; S279-V282 PolarHBondContact O-N 3.12Å; S279-E283 WeakPolarHBondContact O-CG 3.37Å; S279-E283 PolarHBondContact O-N 3.46Å; S279-Q340 VanDerWaalsContact N-OE1 3.16Å; S279-Q340 PolarHBondContact OG-NE2 2.92Å; S279-S428 PolarHBondContact OG-O 3.42Å
280	L	98.6	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68	-44.1	-172.9	178.1	155.5	0	0	0	112.1	L197 L278 V282 E283 A284 Q340 A425 S428 A429	L197-L280 HydrophobicContact CD1-CD1 4.07Å; L197-L280 HydrophobicContact CD2-CD1 4.04Å; L197-L280 HydrophobicContact CG-CD1 4.22Å; L278-L280 PolarHBondContact O-N 3.36Å; L280-V282 VanDerWaalsContact C-N 3.32Å; L280-E283 PolarHBondContact O-N 2.94Å; L280-A284 PolarHBondContact O-N 3.02Å; L280-Q340 VanDerWaalsContact N-OE1 3.15Å; L280-A425 HydrophobicContact CD1-CB 4.36Å; L280-A425 HydrophobicContact CG-CB 4.04Å; L280-S428 WeakPolarHBondContact CA-OG 3.41Å; L280-A429 HydrophobicContact CD1-CB 3.69Å
281	I	98	Very high	98	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-69.3	-36.7	-179.1	-64.8	171.5	0	0	0	110.1	G189 I190 T267 L278 A284 V285	G189-I281 WeakPolarHBondContact O-CG1 3.12Å; G189-I281 WeakPolarHBondContact O-CG2 3.35Å; I190-I281 HydrophobicContact CG1-CD1 3.99Å; T267-I281 HydrophobicContact CG2-CG2 4.39Å; L278-I281 HydrophobicContact CD1-CD1 3.77Å; L278-I281 HydrophobicContact CD1-CG1 4.49Å; L278-I281 HydrophobicContact CD2-CB 3.94Å; L278-I281 HydrophobicContact CD2-CD1 4.09Å; L278-I281 HydrophobicContact CD2-CG2 4.09Å; L278-I281 HydrophobicContact CG-CB 3.95Å; L278-I281 HydrophobicContact CG-CD1 4.06Å; L278-I281 HydrophobicContact CG-CG1 4.38Å; I281-A284 WeakPolarHBondContact O-CB 3.35Å; I281-A284 PolarHBondContact O-N 3.16Å; I281-V285 WeakPolarHBondContact O-CG2 2.87Å; I281-V285 PolarHBondContact O-N 3.24Å
282	V	98.3	Very high	98	Very high	31 Å²	31	46.7 Å²	46.7	19%	0.188	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-44.3	174.2	170.7	0	0	0	0	110.9	L278 S279 L280 A284 V285 F286	L278-V282 WeakPolarHBondContact O-CB 3.37Å; L278-V282 VanDerWaalsContact O-CG2 3.28Å; L278-V282 WeakPolarHBondContact O-CG2 3.33Å; L278-V282 PolarHBondContact O-N 3.42Å; S279-V282 PolarHBondContact O-N 3.12Å; L280-V282 VanDerWaalsContact C-N 3.32Å; V282-A284 VanDerWaalsContact C-N 3.31Å; V282-A284 PolarHBondContact O-N 3.41Å; V282-V285 WeakPolarHBondContact O-CB 3.39Å; V282-V285 PolarHBondContact O-N 2.78Å; V282-V285 VanDerWaalsContact O-N 3.1Å; V282-F286 HydrophobicContact CG1-CD2 3.8Å; V282-F286 HydrophobicContact CG1-CE2 3.43Å; V282-F286 VanDerWaalsContact CG1-CE2 3.43Å; V282-F286 HydrophobicContact CG1-CZ 4.17Å; V282-F286 PolarHBondContact O-N 3.29Å
283	E	98.6	Very high	98	Very high	68 Å²	68	44.8 Å²	44.8	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-39	173	-77.9	-56.9	157.4	0	0	112.4	S279 L280 V285 F286 A287 P424	S279-E283 WeakPolarHBondContact O-CG 3.37Å; S279-E283 PolarHBondContact O-N 3.46Å; L280-E283 PolarHBondContact O-N 2.94Å; E283-V285 VanDerWaalsContact C-N 3.28Å; E283-V285 PolarHBondContact O-N 2.89Å; E283-F286 PolarHBondContact O-N 3.25Å; E283-A287 WeakPolarHBondContact O-CB 3.27Å; E283-A287 PolarHBondContact O-N 2.9Å; E283-P424 HydrophobicContact CB-CB 4.18Å; E283-P424 HydrophobicContact CG-CB 4.34Å
284	A	98.6	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-34.6	174	0	0	0	0	0	112.6	Y192 Q196 L280 I281 V282 R288	Y192-A284 WeakPolarHBondContact O-CB 3.46Å; Q196-A284 HydrophobicContact CB-CB 3.67Å; Q196-A284 HydrophobicContact CG-CB 4.06Å; L280-A284 PolarHBondContact O-N 3.02Å; I281-A284 WeakPolarHBondContact O-CB 3.35Å; I281-A284 PolarHBondContact O-N 3.16Å; V282-A284 VanDerWaalsContact C-N 3.31Å; V282-A284 PolarHBondContact O-N 3.41Å; A284-R288 WeakPolarHBondContact O-CG 3.31Å; A284-R288 PolarHBondContact O-N 3.15Å
285	V	98.2	Very high	98.1	Very high	13 Å²	13	44.9 Å²	44.9	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-68.6	-45.7	172.1	174	0	0	0	0	110.8	Y192 G264 K265 I281 V282 E283 A287 R288 C289	Y192-V285 HydrophobicContact CD2-CG2 4.12Å; G264-V285 WeakPolarHBondContact O-CG2 3.36Å; K265-V285 HydrophobicContact CB-CG1 4.45Å; I281-V285 WeakPolarHBondContact O-CG2 2.87Å; I281-V285 PolarHBondContact O-N 3.24Å; V282-V285 WeakPolarHBondContact O-CB 3.39Å; V282-V285 PolarHBondContact O-N 2.78Å; V282-V285 VanDerWaalsContact O-N 3.1Å; E283-V285 VanDerWaalsContact C-N 3.28Å; E283-V285 PolarHBondContact O-N 2.89Å; V285-A287 PolarHBondContact O-N 3.03Å; V285-R288 WeakPolarHBondContact O-CB 3.4Å; V285-R288 PolarHBondContact O-N 3.37Å; V285-C289 PolarHBondContact O-N 3.4Å; V285-C289 VanDerWaalsContact O-N 3.14Å; V285-C289 PolarHBondContact O-SG 3.47Å; V285-C289 VanDerWaalsContact O-SG 3.42Å
286	F	98.3	Very high	98.2	Very high	117 Å²	117	45.9 Å²	45.9	51%	0.513	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-36.9	178.2	-72.8	-42.4	0	0	0	112.9	V282 E283 R288 C289 L290	V282-F286 HydrophobicContact CG1-CD2 3.8Å; V282-F286 HydrophobicContact CG1-CE2 3.43Å; V282-F286 VanDerWaalsContact CG1-CE2 3.43Å; V282-F286 HydrophobicContact CG1-CZ 4.17Å; V282-F286 PolarHBondContact O-N 3.29Å; E283-F286 PolarHBondContact O-N 3.25Å; F286-R288 VanDerWaalsContact C-N 3.28Å; F286-R288 PolarHBondContact O-N 3.21Å; F286-C289 WeakPolarHBondContact O-CB 3.3Å; F286-C289 PolarHBondContact O-N 3.49Å; F286-C289 VanDerWaalsContact O-N 3.1Å; F286-L290 WeakPolarHBondContact O-CB 3.31Å; F286-L290 PolarHBondContact O-N 2.85Å
287	A	98.6	Very high	98.1	Very high	16 Å²	16	48.1 Å²	48.1	13%	0.132	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-39.1	174.3	0	0	0	0	0	111.8	Q196 E283 V285 L290 S291 P424	Q196-A287 HydrophobicContact CG-CB 4.33Å; E283-A287 WeakPolarHBondContact O-CB 3.27Å; E283-A287 PolarHBondContact O-N 2.9Å; V285-A287 PolarHBondContact O-N 3.03Å; A287-L290 PolarHBondContact O-N 3.45Å; A287-S291 WeakPolarHBondContact O-CB 3.14Å; A287-S291 PolarHBondContact O-N 2.98Å; A287-P424 HydrophobicContact CB-CG 4.41Å
288	R	98.4	Very high	98.1	Very high	28 Å²	28	48.3 Å²	48.3	11%	0.106	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-44.7	172.7	-66.2	-176.2	-173.4	-133	3.2	111.9	Y192 M195 A258 G259 A284 V285 F286 L290 S291 S292	Y192-R288 VanDerWaalsContact CD2-NE 3.3Å; M195-R288 PolarHBondContact SD-NH2 3.35Å; A258-R288 HydrophobicContact CB-CB 4.23Å; A258-R288 HydrophobicContact CB-CG 3.94Å; G259-R288 PolarHBondContact O-NH1 3.43Å; A284-R288 WeakPolarHBondContact O-CG 3.31Å; A284-R288 PolarHBondContact O-N 3.15Å; V285-R288 WeakPolarHBondContact O-CB 3.4Å; V285-R288 PolarHBondContact O-N 3.37Å; F286-R288 VanDerWaalsContact C-N 3.28Å; F286-R288 PolarHBondContact O-N 3.21Å; R288-L290 VanDerWaalsContact C-N 3.35Å; R288-L290 PolarHBondContact O-N 3.24Å; R288-S291 PolarHBondContact O-N 3.14Å; R288-S291 PolarHBondContact O-OG 3.32Å; R288-S292 PolarHBondContact O-N 3.12Å; R288-S292 VanDerWaalsContact O-N 3.09Å; R288-S292 PolarHBondContact O-OG 3.4Å; R288-S292 VanDerWaalsContact O-OG 3.13Å
289	C	97.7	Very high	98.1	Very high	52 Å²	52	54.4 Å²	54.4	35%	0.351	29%	0.289	S	S	.	.	H	α-helix	trans	-58.4	-46.4	175.4	-64.5	0	0	0	0	111.4	V285 F286 S291 S292 M293	V285-C289 PolarHBondContact O-N 3.4Å; V285-C289 VanDerWaalsContact O-N 3.14Å; V285-C289 PolarHBondContact O-SG 3.47Å; V285-C289 VanDerWaalsContact O-SG 3.42Å; F286-C289 WeakPolarHBondContact O-CB 3.3Å; F286-C289 PolarHBondContact O-N 3.49Å; F286-C289 VanDerWaalsContact O-N 3.1Å; C289-S291 VanDerWaalsContact C-N 3.35Å; C289-S291 PolarHBondContact O-N 2.99Å; C289-S292 WeakPolarHBondContact O-CB 3.39Å; C289-S292 PolarHBondContact O-N 2.81Å; C289-S292 VanDerWaalsContact O-N 3.15Å; C289-M293 PolarHBondContact O-N 2.67Å
290	L	98.4	Very high	97.9	Very high	101 Å²	101	53.8 Å²	53.8	53%	0.529	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-42.4	176.9	-178.6	62.5	0	0	0	111.8	F286 A287 R288 S292 M293 R297	F286-L290 WeakPolarHBondContact O-CB 3.31Å; F286-L290 PolarHBondContact O-N 2.85Å; A287-L290 PolarHBondContact O-N 3.45Å; R288-L290 VanDerWaalsContact C-N 3.35Å; R288-L290 PolarHBondContact O-N 3.24Å; L290-S292 VanDerWaalsContact C-N 3.26Å; L290-S292 PolarHBondContact O-N 3.11Å; L290-M293 PolarHBondContact O-N 2.94Å; L290-M293 VanDerWaalsContact O-N 3.17Å; L290-R297 WeakPolarHBondContact O-CD 3.35Å; L290-R297 PolarHBondContact O-NE 3.16Å; L290-R297 VanDerWaalsContact O-NE 3.1Å
291	S	98.5	Very high	97.7	Very high	22 Å²	22	57.8 Å²	57.8	15%	0.154	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-36.7	176.8	81.3	0	0	0	0	112.1	D256 A258 A287 R288 C289 M293 K294 R297	D256-S291 WeakPolarHBondContact O-CB 3.37Å; A258-S291 WeakPolarHBondContact CB-OG 3.32Å; A258-S291 PolarHBondContact N-OG 2.7Å; A287-S291 WeakPolarHBondContact O-CB 3.14Å; A287-S291 PolarHBondContact O-N 2.98Å; R288-S291 PolarHBondContact O-N 3.14Å; R288-S291 PolarHBondContact O-OG 3.32Å; C289-S291 VanDerWaalsContact C-N 3.35Å; C289-S291 PolarHBondContact O-N 2.99Å; S291-M293 PolarHBondContact O-N 2.96Å; S291-K294 PolarHBondContact O-N 3.47Å; S291-R297 PolarHBondContact O-NH2 3.05Å
292	S	97.9	Very high	97.5	Very high	61 Å²	61	61.3 Å²	61.3	43%	0.427	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-27.5	179.4	-61.5	0	0	0	0	112.6	R288 C289 L290 K294	R288-S292 PolarHBondContact O-N 3.12Å; R288-S292 VanDerWaalsContact O-N 3.09Å; R288-S292 PolarHBondContact O-OG 3.4Å; R288-S292 VanDerWaalsContact O-OG 3.13Å; C289-S292 WeakPolarHBondContact O-CB 3.39Å; C289-S292 PolarHBondContact O-N 2.81Å; C289-S292 VanDerWaalsContact O-N 3.15Å; L290-S292 VanDerWaalsContact C-N 3.26Å; L290-S292 PolarHBondContact O-N 3.11Å; S292-K294 PolarHBondContact O-N 3.33Å
293	M	98.1	Very high	97.3	Very high	100 Å²	100	66.5 Å²	66.5	49%	0.493	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	35.6	175.4	-57.8	177.3	71.9	0	0	113	C289 L290 S291 D295 V296 R297	C289-M293 PolarHBondContact O-N 2.67Å; L290-M293 PolarHBondContact O-N 2.94Å; L290-M293 VanDerWaalsContact O-N 3.17Å; S291-M293 PolarHBondContact O-N 2.96Å; M293-D295 PolarHBondContact O-N 3.19Å; M293-V296 HydrophobicContact CB-CB 4.32Å; M293-V296 HydrophobicContact CE-CG1 4.33Å; M293-V296 WeakPolarHBondContact O-CB 3.42Å; M293-V296 PolarHBondContact O-N 3.48Å; M293-R297 WeakPolarHBondContact O-CG 3.48Å; M293-R297 PolarHBondContact O-N 3.02Å
294	K	98.3	Very high	97.1	Very high	49 Å²	49	68.3 Å²	68.3	21%	0.213	38%	0.38	C	S	.	.	H	α-helix	trans	-51.5	-49.1	-174.1	177.3	59.8	178.2	-167.5	0	113.8	L255 D256 K257 S291 S292 V296 R297 V298	L255-K294 HydrophobicContact CD1-CG 4.38Å; D256-K294 VanDerWaalsContact OD1-CD 3.29Å; D256-K294 WeakPolarHBondContact OD1-CD 3.15Å; D256-K294 WeakPolarHBondContact OD1-CE 3.33Å; D256-K294 IonicContact OD1-NZ 3.24Å; D256-K294 PolarHBondContact OD1-NZ 3.41Å; D256-K294 IonicContact OD2-NZ 3.72Å; D256-K294 PolarHBondContact OD2-NZ 3.19Å; K257-K294 HydrophobicContact CD-CB 4.15Å; K257-K294 HydrophobicContact CG-CB 3.91Å; S291-K294 PolarHBondContact O-N 3.47Å; S292-K294 PolarHBondContact O-N 3.33Å; K294-V296 VanDerWaalsContact C-N 3.28Å; K294-V296 PolarHBondContact O-N 3.32Å; K294-R297 CarbonylContact O-C 3.49Å; K294-R297 WeakPolarHBondContact O-CB 3.42Å; K294-R297 PolarHBondContact O-N 3.41Å; K294-R297 VanDerWaalsContact O-N 3.09Å; K294-V298 HydrophobicContact CD-CG2 4.11Å; K294-V298 HydrophobicContact CG-CG2 4.43Å; K294-V298 WeakPolarHBondContact O-CG2 3.4Å; K294-V298 PolarHBondContact O-N 3.29Å
295	D	98.2	Very high	96.5	Very high	98 Å²	98	73.8 Å²	73.8	52%	0.524	42%	0.416	S	S	.	.	H	α-helix	trans	-66.8	-37.4	-173.1	-55	-54.9	0	0	0	110.1	K257 M293 V298 Q299	K257-D295 IonicContact NZ-OD2 3.23Å; K257-D295 PolarHBondContact NZ-OD2 3.41Å; M293-D295 PolarHBondContact O-N 3.19Å; D295-V298 PolarHBondContact O-N 3.37Å; D295-Q299 WeakPolarHBondContact O-CG 3.43Å; D295-Q299 PolarHBondContact O-N 3.05Å
296	V	98	Very high	95.4	Very high	78 Å²	78	82.3 Å²	82.3	47%	0.473	45%	0.452	S	S	.	.	H	α-helix	trans	-65	-42.8	171.2	-177.2	0	0	0	0	111.1	M293 K294 V298 Q299 A300	M293-V296 HydrophobicContact CB-CB 4.32Å; M293-V296 HydrophobicContact CE-CG1 4.33Å; M293-V296 WeakPolarHBondContact O-CB 3.42Å; M293-V296 PolarHBondContact O-N 3.48Å; K294-V296 VanDerWaalsContact C-N 3.28Å; K294-V296 PolarHBondContact O-N 3.32Å; V296-V298 VanDerWaalsContact C-N 3.34Å; V296-V298 PolarHBondContact O-N 3Å; V296-Q299 PolarHBondContact O-N 3Å; V296-A300 VanDerWaalsContact O-CB 3.32Å; V296-A300 WeakPolarHBondContact O-CB 3.35Å; V296-A300 PolarHBondContact O-N 2.8Å
297	R	97	Very high	94.2	Very high	64 Å²	64	83.9 Å²	83.9	24%	0.242	46%	0.461	C	S	.	.	H	α-helix	trans	-63.1	-38.4	176.4	-71.3	-173.4	-66.5	109.8	-5.2	112.5	D256 L290 S291 M293 K294 A300 S301	D256-R297 PolarHBondContact O-NH2 3.04Å; D256-R297 IonicContact OD1-NH2 2.66Å; D256-R297 IonicContact OD2-CZ 2.82Å; D256-R297 VanDerWaalsContact OD2-CZ 3.24Å; D256-R297 IonicContact OD2-NH1 2.8Å; D256-R297 PolarHBondContact OD2-NH1 3.29Å; D256-R297 IonicContact OD2-NH2 3.75Å; D256-R297 PolarHBondContact OD2-NH2 3.27Å; L290-R297 WeakPolarHBondContact O-CD 3.35Å; L290-R297 PolarHBondContact O-NE 3.16Å; L290-R297 VanDerWaalsContact O-NE 3.1Å; S291-R297 PolarHBondContact O-NH2 3.05Å; M293-R297 WeakPolarHBondContact O-CG 3.48Å; M293-R297 PolarHBondContact O-N 3.02Å; K294-R297 CarbonylContact O-C 3.49Å; K294-R297 WeakPolarHBondContact O-CB 3.42Å; K294-R297 PolarHBondContact O-N 3.41Å; K294-R297 VanDerWaalsContact O-N 3.09Å; R297-A300 PolarHBondContact O-N 3.34Å; R297-S301 WeakPolarHBondContact O-CB 3.24Å; R297-S301 PolarHBondContact O-N 3.09Å
298	V	96.4	Very high	93.1	Very high	74 Å²	74	85.1 Å²	85.1	45%	0.448	48%	0.475	S	S	.	.	H	α-helix	trans	-63.2	-47.7	175.1	171.4	0	0	0	0	110.1	K294 D295 V296 A300 S301 A302	K294-V298 HydrophobicContact CD-CG2 4.11Å; K294-V298 HydrophobicContact CG-CG2 4.43Å; K294-V298 WeakPolarHBondContact O-CG2 3.4Å; K294-V298 PolarHBondContact O-N 3.29Å; D295-V298 PolarHBondContact O-N 3.37Å; V296-V298 VanDerWaalsContact C-N 3.34Å; V296-V298 PolarHBondContact O-N 3Å; V298-A300 PolarHBondContact O-N 3.49Å; V298-S301 PolarHBondContact O-N 2.73Å; V298-S301 PolarHBondContact O-OG 2.9Å; V298-A302 PolarHBondContact O-N 3.26Å
299	Q	96.9	Very high	92.5	Very high	132 Å²	132	86.4 Å²	86.4	62%	0.617	49%	0.486	S	S	*	.	H	α-helix	trans	-59.3	-46.7	174.7	-68.8	173.7	26.6	0	0	111.7	D295 V296 S301 A302	D295-Q299 WeakPolarHBondContact O-CG 3.43Å; D295-Q299 PolarHBondContact O-N 3.05Å; V296-Q299 PolarHBondContact O-N 3Å; Q299-S301 VanDerWaalsContact C-N 3.29Å; Q299-S301 PolarHBondContact O-N 3.08Å; Q299-A302 WeakPolarHBondContact O-CB 3.22Å; Q299-A302 PolarHBondContact O-N 3.13Å; Q299-A302 VanDerWaalsContact O-N 3.11Å
300	A	95.8	Very high	92	Very high	26 Å²	26	88.7 Å²	88.7	22%	0.215	49%	0.49	C	S	.	.	H	α-helix	trans	-58	-41	178.1	0	0	0	0	0	111.9	V296 R297 V298 A302 I303 L304	V296-A300 VanDerWaalsContact O-CB 3.32Å; V296-A300 WeakPolarHBondContact O-CB 3.35Å; V296-A300 PolarHBondContact O-N 2.8Å; R297-A300 PolarHBondContact O-N 3.34Å; V298-A300 PolarHBondContact O-N 3.49Å; A300-A302 PolarHBondContact O-N 3.33Å; A300-I303 WeakPolarHBondContact O-CG1 3.42Å; A300-I303 PolarHBondContact O-N 3.47Å; A300-I303 VanDerWaalsContact O-N 3.14Å; A300-L304 HydrophobicContact CB-CD1 3.98Å; A300-L304 HydrophobicContact CB-CG 4.45Å; A300-L304 WeakPolarHBondContact O-CB 3.37Å; A300-L304 WeakPolarHBondContact O-CG 3.38Å; A300-L304 PolarHBondContact O-N 3.43Å
301	S	93.9	Very high	91.7	Very high	84 Å²	84	86.5 Å²	86.5	59%	0.587	48%	0.482	S	S	*	.	H	α-helix	trans	-64	-21.4	179.7	76.8	0	0	0	0	114.1	R297 V298 Q299	R297-S301 WeakPolarHBondContact O-CB 3.24Å; R297-S301 PolarHBondContact O-N 3.09Å; V298-S301 PolarHBondContact O-N 2.73Å; V298-S301 PolarHBondContact O-OG 2.9Å; Q299-S301 VanDerWaalsContact C-N 3.29Å; Q299-S301 PolarHBondContact O-N 3.08Å
302	A	93.5	Very high	91.4	Very high	74 Å²	74	86.7 Å²	86.7	61%	0.612	48%	0.481	S	S	*	.	H	α-helix	trans	-84	-25.2	177	0	0	0	0	0	113.3	V298 Q299 A300	V298-A302 PolarHBondContact O-N 3.26Å; Q299-A302 WeakPolarHBondContact O-CB 3.22Å; Q299-A302 PolarHBondContact O-N 3.13Å; Q299-A302 VanDerWaalsContact O-N 3.11Å; A300-A302 PolarHBondContact O-N 3.33Å
303	I	94.6	Very high	90.9	Very high	140 Å²	140	93 Å²	93	72%	0.718	50%	0.503	S	S	*	.	H	α-helix	trans	-110.6	-30.5	-171.3	64.3	177.2	0	0	0	113.9	A300	A300-I303 WeakPolarHBondContact O-CG1 3.42Å; A300-I303 PolarHBondContact O-N 3.47Å; A300-I303 VanDerWaalsContact O-N 3.14Å
304	L	93	Very high	90.5	Very high	106 Å²	106	90.5 Å²	90.5	56%	0.555	49%	0.491	S	S	*	.	S	Bend	trans	-75.9	157.7	178.9	-66.1	-179.7	0	0	0	110.5	A300 K306	A300-L304 HydrophobicContact CB-CD1 3.98Å; A300-L304 HydrophobicContact CB-CG 4.45Å; A300-L304 WeakPolarHBondContact O-CB 3.37Å; A300-L304 WeakPolarHBondContact O-CG 3.38Å; A300-L304 PolarHBondContact O-N 3.43Å; L304-K306 PolarHBondContact O-N 2.81Å
305	P	87.1	Confident	90.4	Very high	114 Å²	114	90.4 Å²	90.4	74%	0.74	50%	0.496	S	S	*	.			trans	-48.3	130	179.5	-29.4	35.9	0	0	0	112.4	E307	P305-E307 PolarHBondContact O-N 3.44Å; P305-E307 VanDerWaalsContact O-N 3.14Å
306	K	74.2	Confident	90.2	Very high	193 Å²	193	94.3 Å²	94.3	84%	0.839	51%	0.509	S	S	*	.	S	Bend	trans	-73.9	1.2	-175.4	-65.9	-174.4	179.3	-179.7	0	114.2	L304 G308	L304-K306 PolarHBondContact O-N 2.81Å; K306-G308 PolarHBondContact O-N 3.1Å
307	E	73.7	Confident	90.1	Very high	150 Å²	150	97.3 Å²	97.3	70%	0.701	52%	0.518	S	S	*	.			trans	-71.3	55.2	166.9	-63.7	-158.8	-168.3	0	0	110.8	P305 K310	P305-E307 PolarHBondContact O-N 3.44Å; P305-E307 VanDerWaalsContact O-N 3.14Å; E307-K310 IonicContact OE2-NZ 2.7Å; E307-K310 PolarHBondContact OE2-NZ 3.15Å
308	G	76.3	Confident	90.1	Very high	41 Å²	41	99 Å²	99	42%	0.423	53%	0.528	S	S	.	.			trans	-71.9	-153.2	172	0	0	0	0	0	111.3	K306 K310	K306-G308 PolarHBondContact O-N 3.1Å; G308-K310 PolarHBondContact O-N 3.14Å; G308-K310 VanDerWaalsContact O-N 3.07Å
309	V	84.4	Confident	90.1	Very high	56 Å²	56	96.9 Å²	96.9	34%	0.339	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-55.8	116.5	-177.7	178.9	0	0	0	0	111.4	D207 A419 G420 L421	D207-V309 HydrophobicContact CB-CG1 3.63Å; V309-A419 CarbonylContact C-O 3.55Å; V309-A419 VanDerWaalsContact CA-O 3.24Å; V309-A419 WeakPolarHBondContact CA-O 3.4Å; V309-G420 WeakPolarHBondContact CG2-O 3.22Å; V309-L421 HydrophobicContact CB-CD2 4.37Å; V309-L421 HydrophobicContact CG1-CD2 3.4Å; V309-L421 VanDerWaalsContact CG1-CD2 3.4Å; V309-L421 HydrophobicContact CG1-CG 3.84Å; V309-L421 HydrophobicContact CG2-CD2 3.99Å
310	K	88.3	Confident	90.1	Very high	100 Å²	100	93.6 Å²	93.6	44%	0.435	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-95.5	128.9	175.6	-63.3	179.4	-171.9	171.2	0	109.4	E307 G308 M312 A419	E307-K310 IonicContact OE2-NZ 2.7Å; E307-K310 PolarHBondContact OE2-NZ 3.15Å; G308-K310 PolarHBondContact O-N 3.14Å; G308-K310 VanDerWaalsContact O-N 3.07Å; K310-M312 PolarHBondContact O-N 2.7Å; K310-A419 PolarHBondContact N-O 2.98Å
311	C	90.8	Very high	90.2	Very high	54 Å²	54	95 Å²	95	37%	0.365	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-61.3	126.9	167.8	177.8	0	0	0	0	108.8	K210 Q313	K210-C311 HydrophobicContact CG-CB 4.04Å; K210-C311 WeakPolarHBondContact CG-SG 3.36Å; C311-Q313 PolarHBondContact O-N 3.26Å; C311-Q313 VanDerWaalsContact O-N 3.09Å
312	M	92.2	Very high	90.4	Very high	26 Å²	26	93.7 Å²	93.7	13%	0.128	50%	0.502	C	S	.	.			trans	-75.4	97.9	171.5	-58.7	175.6	-75.6	0	0	106.5	F204 G208 L209 K310 M314 A415 A419	F204-M312 HydrophobicContact CD1-CE 4.13Å; F204-M312 HydrophobicContact CD2-CE 4.49Å; F204-M312 HydrophobicContact CE1-CE 3.46Å; F204-M312 VanDerWaalsContact CE1-CE 3.46Å; F204-M312 HydrophobicContact CE2-CE 3.87Å; F204-M312 HydrophobicContact CE2-SD 4.47Å; F204-M312 HydrophobicContact CZ-CE 3.3Å; F204-M312 HydrophobicContact CZ-SD 4.01Å; G208-M312 PolarHBondContact O-N 3.09Å; L209-M312 HydrophobicContact CD2-CE 3.54Å; L209-M312 HydrophobicContact CG-CE 3.95Å; K310-M312 PolarHBondContact O-N 2.7Å; M312-M314 VanDerWaalsContact C-N 3.3Å; M312-M314 HydrophobicContact CB-CE 3.78Å; M312-M314 HydrophobicContact CB-CG 4.13Å; M312-M314 HydrophobicContact CB-SD 4.04Å; M312-M314 HydrophobicContact CG-CE 4.36Å; M312-M314 WeakPolarHBondContact O-CG 3.47Å; M312-M314 PolarHBondContact O-N 3.13Å; M312-M314 HydrophobicContact SD-CE 3.91Å; M312-A415 HydrophobicContact SD-CB 3.83Å; M312-A419 HydrophobicContact CG-CB 4.07Å; M312-A419 HydrophobicContact SD-CB 4.45Å
313	Q	88.2	Confident	90.6	Very high	194 Å²	194	91 Å²	91	91%	0.907	48%	0.478	S	S	*	.			trans	-64.4	89.6	-179.7	-67.5	-170.3	-28.4	0	0	110.2	C311	C311-Q313 PolarHBondContact O-N 3.26Å; C311-Q313 VanDerWaalsContact O-N 3.09Å
314	M	90.4	Very high	90.8	Very high	48 Å²	48	87.8 Å²	87.8	24%	0.236	46%	0.46	C	S	.	.			trans	-113.7	149.4	-172.4	-76.7	179.7	175.2	0	0	111.3	L209 M312 E318 Y322	L209-M314 HydrophobicContact CD2-SD 3.47Å; L209-M314 WeakPolarHBondContact CD2-SD 3.36Å; M312-M314 VanDerWaalsContact C-N 3.3Å; M312-M314 HydrophobicContact CB-CE 3.78Å; M312-M314 HydrophobicContact CB-CG 4.13Å; M312-M314 HydrophobicContact CB-SD 4.04Å; M312-M314 HydrophobicContact CG-CE 4.36Å; M312-M314 WeakPolarHBondContact O-CG 3.47Å; M312-M314 PolarHBondContact O-N 3.13Å; M312-M314 HydrophobicContact SD-CE 3.91Å; M314-E318 WeakPolarHBondContact CA-OE2 3.48Å; M314-E318 HydrophobicContact CB-CB 3.76Å; M314-E318 HydrophobicContact CG-CB 4.03Å; M314-E318 HydrophobicContact SD-CB 4.36Å; M314-Y322 HydrophobicContact CE-CD1 4.37Å; M314-Y322 HydrophobicContact CE-CD2 3.34Å; M314-Y322 HydrophobicContact CE-CE1 4.2Å; M314-Y322 HydrophobicContact CE-CE2 3.12Å; M314-Y322 HydrophobicContact CE-CG 3.97Å; M314-Y322 HydrophobicContact SD-CD2 3.46Å; M314-Y322 WeakPolarHBondContact SD-CD2 3.42Å; M314-Y322 HydrophobicContact SD-CE2 3.91Å; M314-Y322 HydrophobicContact SD-CG 3.98Å
315	S	95.6	Very high	91.1	Very high	46 Å²	46	83.8 Å²	83.8	32%	0.322	44%	0.438	S	S	.	.			trans	-63.9	169.9	167.5	85.6	0	0	0	0	111.2	E317 E318 T319	S315-E317 VanDerWaalsContact C-N 3.27Å; S315-E317 WeakPolarHBondContact CB-OE2 3.29Å; S315-E317 PolarHBondContact O-N 2.79Å; S315-E317 PolarHBondContact OG-N 3.22Å; S315-E317 PolarHBondContact OG-OE2 3.4Å; S315-E318 PolarHBondContact N-OE2 2.99Å; S315-E318 PolarHBondContact O-N 3.19Å; S315-E318 PolarHBondContact OG-N 3.47Å; S315-E318 VanDerWaalsContact OG-N 3.08Å; S315-T319 WeakPolarHBondContact O-CB 3.47Å; S315-T319 PolarHBondContact O-N 2.87Å; S315-T319 PolarHBondContact O-OG1 3.35Å
316	K	93.9	Very high	91.7	Very high	181 Å²	181	78.3 Å²	78.3	79%	0.787	40%	0.403	S	S	*	.	H	α-helix	trans	-62.5	-39.1	174.4	-72.5	-175.1	178.6	180	0	111.3	T319 A320	K316-T319 PolarHBondContact O-N 2.9Å; K316-A320 WeakPolarHBondContact O-CB 3.49Å; K316-A320 PolarHBondContact O-N 3.47Å
317	E	96.2	Very high	92.8	Very high	141 Å²	141	70 Å²	70	66%	0.659	37%	0.366	S	S	*	.	H	α-helix	trans	-66.2	-43.8	177.9	-60.8	72.2	-154.3	0	0	111.1	S315 A320 S321	S315-E317 VanDerWaalsContact C-N 3.27Å; S315-E317 WeakPolarHBondContact CB-OE2 3.29Å; S315-E317 PolarHBondContact O-N 2.79Å; S315-E317 PolarHBondContact OG-N 3.22Å; S315-E317 PolarHBondContact OG-OE2 3.4Å; E317-A320 PolarHBondContact O-N 2.93Å; E317-S321 WeakPolarHBondContact O-CB 3.44Å; E317-S321 PolarHBondContact O-N 3.26Å
318	E	96.4	Very high	94	Very high	99 Å²	99	65.5 Å²	65.5	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-64.7	-42.4	175.7	-72.1	176.3	135	0	0	111.6	M314 S315 A320 S321 Y322	M314-E318 WeakPolarHBondContact CA-OE2 3.48Å; M314-E318 HydrophobicContact CB-CB 3.76Å; M314-E318 HydrophobicContact CG-CB 4.03Å; M314-E318 HydrophobicContact SD-CB 4.36Å; S315-E318 PolarHBondContact N-OE2 2.99Å; S315-E318 PolarHBondContact O-N 3.19Å; S315-E318 PolarHBondContact OG-N 3.47Å; S315-E318 VanDerWaalsContact OG-N 3.08Å; E318-A320 VanDerWaalsContact C-N 3.35Å; E318-A320 PolarHBondContact O-N 2.99Å; E318-S321 WeakPolarHBondContact O-CB 3.32Å; E318-S321 PolarHBondContact O-N 2.85Å; E318-Y322 PolarHBondContact O-N 3.43Å
319	T	96.7	Very high	95.1	Very high	30 Å²	30	63.6 Å²	63.6	18%	0.184	32%	0.324	C	S	.	.	H	α-helix	trans	-59.5	-45.1	175.6	-60.8	0	0	0	0	111.3	L209 V211 S315 K316 Y322 T323	L209-T319 HydrophobicContact CB-CG2 4.25Å; L209-T319 HydrophobicContact CD1-CG2 4.29Å; V211-T319 HydrophobicContact CG2-CG2 4.15Å; S315-T319 WeakPolarHBondContact O-CB 3.47Å; S315-T319 PolarHBondContact O-N 2.87Å; S315-T319 PolarHBondContact O-OG1 3.35Å; K316-T319 PolarHBondContact O-N 2.9Å; T319-Y322 PolarHBondContact O-N 3.01Å; T319-T323 WeakPolarHBondContact O-CB 3.37Å; T319-T323 PolarHBondContact O-N 3.13Å; T319-T323 PolarHBondContact O-OG1 2.92Å
320	A	96.9	Very high	95.8	Very high	62 Å²	62	61.1 Å²	61.1	51%	0.512	31%	0.309	S	S	.	.	H	α-helix	trans	-63.7	-41.8	175.5	0	0	0	0	0	111.8	K316 E317 E318 T323 E324	K316-A320 WeakPolarHBondContact O-CB 3.49Å; K316-A320 PolarHBondContact O-N 3.47Å; E317-A320 PolarHBondContact O-N 2.93Å; E318-A320 VanDerWaalsContact C-N 3.35Å; E318-A320 PolarHBondContact O-N 2.99Å; A320-T323 WeakPolarHBondContact O-CB 3.35Å; A320-T323 PolarHBondContact O-N 3.5Å; A320-E324 PolarHBondContact O-N 3.24Å; A320-E324 VanDerWaalsContact O-N 3.13Å
321	S	97.9	Very high	96.3	Very high	57 Å²	57	56.8 Å²	56.8	40%	0.399	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-46	176.5	-179.6	0	0	0	0	112.4	E317 E318 T323 E324 H325	E317-S321 WeakPolarHBondContact O-CB 3.44Å; E317-S321 PolarHBondContact O-N 3.26Å; E318-S321 WeakPolarHBondContact O-CB 3.32Å; E318-S321 PolarHBondContact O-N 2.85Å; S321-T323 VanDerWaalsContact C-N 3.3Å; S321-T323 PolarHBondContact O-N 3.43Å; S321-E324 PolarHBondContact O-N 3.07Å; S321-H325 PolarHBondContact O-CD2 2.99Å; S321-H325 PolarHBondContact O-N 3.47Å
322	Y	98	Very high	96.7	Very high	56 Å²	56	54.2 Å²	54.2	22%	0.22	27%	0.273	C	S	.	.	H	α-helix	trans	-67.9	-30	176.4	-92.8	-86.1	0	0	0	112.8	F204 M314 E318 T319 H325 L326 A415	F204-Y322 HydrophobicContact CE1-CD1 4.24Å; F204-Y322 AromaticContact CZ-CD1 3.96Å; F204-Y322 HydrophobicContact CZ-CD1 3.96Å; M314-Y322 HydrophobicContact CE-CD1 4.37Å; M314-Y322 HydrophobicContact CE-CD2 3.34Å; M314-Y322 HydrophobicContact CE-CE1 4.2Å; M314-Y322 HydrophobicContact CE-CE2 3.12Å; M314-Y322 HydrophobicContact CE-CG 3.97Å; M314-Y322 HydrophobicContact SD-CD2 3.46Å; M314-Y322 WeakPolarHBondContact SD-CD2 3.42Å; M314-Y322 HydrophobicContact SD-CE2 3.91Å; M314-Y322 HydrophobicContact SD-CG 3.98Å; E318-Y322 PolarHBondContact O-N 3.43Å; T319-Y322 PolarHBondContact O-N 3.01Å; Y322-H325 PolarHBondContact O-N 3.07Å; Y322-L326 VanDerWaalsContact O-CB 3.27Å; Y322-L326 WeakPolarHBondContact O-CB 3.47Å; Y322-L326 PolarHBondContact O-N 3.06Å; Y322-A415 HydrophobicContact CE1-CB 3.69Å
323	T	98.4	Very high	97	Very high	17 Å²	17	53 Å²	53	10%	0.104	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-43.2	172.2	-59.8	0	0	0	0	111.1	L205 I219 W223 T319 A320 S321 L326 R327	L205-T323 HydrophobicContact CD2-CG2 4.34Å; I219-T323 HydrophobicContact CD1-CG2 3.83Å; I219-T323 HydrophobicContact CG1-CG2 4.04Å; I219-T323 HydrophobicContact CG2-CG2 3.7Å; W223-T323 HydrophobicContact CZ2-CG2 4.06Å; W223-T323 WeakPolarHBondContact CZ2-O 3.45Å; T319-T323 WeakPolarHBondContact O-CB 3.37Å; T319-T323 PolarHBondContact O-N 3.13Å; T319-T323 PolarHBondContact O-OG1 2.92Å; A320-T323 WeakPolarHBondContact O-CB 3.35Å; A320-T323 PolarHBondContact O-N 3.5Å; S321-T323 VanDerWaalsContact C-N 3.3Å; S321-T323 PolarHBondContact O-N 3.43Å; T323-L326 PolarHBondContact O-N 3.14Å; T323-R327 PolarHBondContact O-N 2.74Å
324	E	98.6	Very high	97.5	Very high	73 Å²	73	44.3 Å²	44.3	34%	0.341	23%	0.226	S	C	.	.	H	α-helix	trans	-68.6	-39.5	174.2	176.1	54.8	-160.7	0	0	112.1	A320 S321 L326 R327 K328	A320-E324 PolarHBondContact O-N 3.24Å; A320-E324 VanDerWaalsContact O-N 3.13Å; S321-E324 PolarHBondContact O-N 3.07Å; E324-L326 VanDerWaalsContact C-N 3.27Å; E324-L326 PolarHBondContact O-N 3.47Å; E324-R327 WeakPolarHBondContact O-CB 3.27Å; E324-R327 PolarHBondContact O-N 2.72Å; E324-R327 IonicContact OE1-CZ 2.7Å; E324-R327 IonicContact OE1-NE 2.97Å; E324-R327 PolarHBondContact OE1-NE 3.48Å; E324-R327 IonicContact OE1-NH2 3.93Å; E324-R327 PolarHBondContact OE1-NH2 2.81Å; E324-R327 IonicContact OE2-CZ 3.81Å; E324-R327 IonicContact OE2-NE 2.7Å; E324-R327 PolarHBondContact OE2-NE 3.49Å; E324-R327 IonicContact OE2-NH2 2.81Å; E324-K328 PolarHBondContact O-N 3.49Å; E324-K328 VanDerWaalsContact O-N 3.13Å; E324-K328 WeakPolarHBondContact OE1-CE 3.32Å
325	H	98.8	Very high	97.9	Very high	21 Å²	21	42 Å²	42	10%	0.097	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-40.2	174.1	-73.2	-45.2	0	0	0	112	S321 Y322 K328 A329 S408 R411 V412	S321-H325 PolarHBondContact O-CD2 2.99Å; S321-H325 PolarHBondContact O-N 3.47Å; Y322-H325 PolarHBondContact O-N 3.07Å; H325-K328 PolarHBondContact O-N 2.91Å; H325-A329 VanDerWaalsContact O-CB 3.25Å; H325-A329 WeakPolarHBondContact O-CB 3.38Å; H325-A329 PolarHBondContact O-N 3.21Å; H325-S408 WeakPolarHBondContact ND1-CA 3.3Å; H325-S408 WeakPolarHBondContact ND1-CB 3.46Å; H325-S408 PolarHBondContact ND1-OG 3.27Å; H325-R411 PolarHBondContact CE1-NH1 2.89Å; H325-R411 PolarHBondContact NE2-NH1 3.19Å; H325-V412 HydrophobicContact CB-CG2 3.84Å
326	L	98.9	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-40.9	176.7	-176.5	61.9	0	0	0	112	A201 F204 L205 W223 Y322 T323 E324 K328 A329 L330 V412 M423 F426	A201-L326 HydrophobicContact CB-CD1 4.18Å; A201-L326 HydrophobicContact CB-CD2 4.05Å; A201-L326 HydrophobicContact CB-CG 4.11Å; F204-L326 HydrophobicContact CB-CD1 4.22Å; F204-L326 HydrophobicContact CB-CD2 4Å; F204-L326 HydrophobicContact CD1-CD1 4.36Å; F204-L326 HydrophobicContact CD1-CD2 3.83Å; F204-L326 HydrophobicContact CG-CD1 4.19Å; F204-L326 HydrophobicContact CG-CD2 4.18Å; L205-L326 HydrophobicContact CD1-CD2 4.33Å; L205-L326 HydrophobicContact CD2-CD2 4.09Å; L205-L326 HydrophobicContact CG-CD2 3.77Å; W223-L326 HydrophobicContact CH2-CB 4.41Å; W223-L326 HydrophobicContact CH2-CD2 3.84Å; W223-L326 HydrophobicContact CH2-CG 3.89Å; W223-L326 HydrophobicContact CZ2-CB 4.47Å; W223-L326 HydrophobicContact CZ2-CD2 4.46Å; W223-L326 HydrophobicContact CZ2-CG 4.43Å; Y322-L326 VanDerWaalsContact O-CB 3.27Å; Y322-L326 WeakPolarHBondContact O-CB 3.47Å; Y322-L326 PolarHBondContact O-N 3.06Å; T323-L326 PolarHBondContact O-N 3.14Å; E324-L326 VanDerWaalsContact C-N 3.27Å; E324-L326 PolarHBondContact O-N 3.47Å; L326-K328 PolarHBondContact O-N 3.26Å; L326-A329 PolarHBondContact O-N 3.46Å; L326-L330 VanDerWaalsContact O-CB 3.3Å; L326-L330 WeakPolarHBondContact O-CB 3.47Å; L326-L330 PolarHBondContact O-N 3.43Å; L326-V412 HydrophobicContact CB-CG2 4.3Å; L326-V412 HydrophobicContact CD1-CG1 3.66Å; L326-V412 HydrophobicContact CD1-CG2 4.48Å; L326-M423 HydrophobicContact CD1-CE 4.25Å; L326-F426 HydrophobicContact CD1-CE1 4.06Å; L326-F426 HydrophobicContact CD1-CZ 4.07Å
327	R	98.8	Very high	98.2	Very high	18 Å²	18	31.2 Å²	31.2	7%	0.068	16%	0.162	C	C	.	.	H	α-helix	trans	-57.5	-49.4	174.5	-165.2	-172.7	69.5	71.2	13.8	111.8	W223 T226 E227 L228 T323 E324 L330 Y331	W223-R327 HydrophobicContact CB-CG 4.48Å; W223-R327 VanDerWaalsContact CD1-CG 3.49Å; W223-R327 HydrophobicContact CD2-CB 4.24Å; W223-R327 HydrophobicContact CD2-CG 3.87Å; W223-R327 HydrophobicContact CG-CB 4.49Å; W223-R327 HydrophobicContact CG-CG 3.72Å; W223-R327 HydrophobicContact CZ2-CB 3.93Å; W223-R327 HydrophobicContact CZ2-CG 4.47Å; T226-R327 PolarHBondContact OG1-NH1 2.73Å; T226-R327 VanDerWaalsContact OG1-NH1 3.13Å; E227-R327 IonicContact OE1-CZ 2.78Å; E227-R327 IonicContact OE1-NH1 2.58Å; E227-R327 PolarHBondContact OE1-NH1 3.09Å; E227-R327 IonicContact OE1-NH2 2.69Å; E227-R327 PolarHBondContact OE1-NH2 3.29Å; E227-R327 IonicContact OE2-CZ 2.72Å; E227-R327 IonicContact OE2-NH1 3.11Å; E227-R327 PolarHBondContact OE2-NH1 2.92Å; L228-R327 HydrophobicContact CD1-CG 3.63Å; T323-R327 PolarHBondContact O-N 2.74Å; E324-R327 WeakPolarHBondContact O-CB 3.27Å; E324-R327 PolarHBondContact O-N 2.72Å; E324-R327 IonicContact OE1-CZ 2.7Å; E324-R327 IonicContact OE1-NE 2.97Å; E324-R327 PolarHBondContact OE1-NE 3.48Å; E324-R327 IonicContact OE1-NH2 3.93Å; E324-R327 PolarHBondContact OE1-NH2 2.81Å; E324-R327 IonicContact OE2-CZ 3.81Å; E324-R327 IonicContact OE2-NE 2.7Å; E324-R327 PolarHBondContact OE2-NE 3.49Å; E324-R327 IonicContact OE2-NH2 2.81Å; R327-L330 WeakPolarHBondContact O-CB 3.29Å; R327-L330 PolarHBondContact O-N 3Å; R327-Y331 PolarHBondContact O-N 3.41Å
328	K	98.9	Very high	98.3	Very high	56 Å²	56	24.5 Å²	24.5	24%	0.243	13%	0.131	C	C	.	.	H	α-helix	trans	-65.5	-39.8	177.6	-71.9	-173.3	171.8	-163.2	0	112.6	E324 H325 L326 L330 Y331 A332 C405 S408	E324-K328 PolarHBondContact O-N 3.49Å; E324-K328 VanDerWaalsContact O-N 3.13Å; E324-K328 WeakPolarHBondContact OE1-CE 3.32Å; H325-K328 PolarHBondContact O-N 2.91Å; L326-K328 PolarHBondContact O-N 3.26Å; K328-L330 VanDerWaalsContact C-N 3.34Å; K328-Y331 PolarHBondContact O-N 3.23Å; K328-A332 PolarHBondContact O-N 2.69Å; K328-C405 HydrophobicContact CB-CB 4.11Å; K328-S408 WeakPolarHBondContact CD-OG 3.49Å
329	A	98.9	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-41.7	175.6	0	0	0	0	0	111.9	H325 L326 S333 W409 V412 F426	H325-A329 VanDerWaalsContact O-CB 3.25Å; H325-A329 WeakPolarHBondContact O-CB 3.38Å; H325-A329 PolarHBondContact O-N 3.21Å; L326-A329 PolarHBondContact O-N 3.46Å; A329-S333 WeakPolarHBondContact O-CB 3.44Å; A329-S333 PolarHBondContact O-N 2.92Å; A329-S333 PolarHBondContact O-OG 3.4Å; A329-W409 HydrophobicContact CB-CB 4.22Å; A329-W409 HydrophobicContact CB-CG 4.27Å; A329-V412 HydrophobicContact CB-CB 3.85Å; A329-V412 HydrophobicContact CB-CG1 4.07Å; A329-V412 HydrophobicContact CB-CG2 3.81Å; A329-F426 HydrophobicContact CB-CD1 3.85Å; A329-F426 HydrophobicContact CB-CE1 3.55Å
330	L	98.9	Very high	98.5	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-46.4	175.4	173.6	56.4	0	0	0	110.3	L197 A201 W223 L228 I233 L326 R327 K328 S333 K334 F426	L197-L330 HydrophobicContact CB-CD1 3.49Å; L197-L330 VanDerWaalsContact CB-CD1 3.49Å; L197-L330 HydrophobicContact CD1-CD1 4.36Å; L197-L330 HydrophobicContact CG-CD1 4.46Å; A201-L330 HydrophobicContact CB-CD2 4.34Å; W223-L330 HydrophobicContact CE3-CD2 3.98Å; W223-L330 HydrophobicContact CZ3-CD2 3.78Å; L228-L330 HydrophobicContact CD1-CB 4.5Å; L228-L330 HydrophobicContact CD1-CD2 3.8Å; L228-L330 HydrophobicContact CD1-CG 4.13Å; L228-L330 HydrophobicContact CD2-CD2 4.45Å; L228-L330 HydrophobicContact CD2-CG 4.12Å; I233-L330 HydrophobicContact CD1-CD2 4.11Å; L326-L330 VanDerWaalsContact O-CB 3.3Å; L326-L330 WeakPolarHBondContact O-CB 3.47Å; L326-L330 PolarHBondContact O-N 3.43Å; R327-L330 WeakPolarHBondContact O-CB 3.29Å; R327-L330 PolarHBondContact O-N 3Å; K328-L330 VanDerWaalsContact C-N 3.34Å; L330-S333 PolarHBondContact O-N 2.97Å; L330-K334 WeakPolarHBondContact O-CB 3.46Å; L330-K334 PolarHBondContact O-N 3.12Å; L330-F426 HydrophobicContact CB-CE1 4.19Å; L330-F426 HydrophobicContact CB-CZ 3.84Å; L330-F426 HydrophobicContact CD1-CE2 4.47Å; L330-F426 HydrophobicContact CD1-CZ 4.1Å; L330-F426 VanDerWaalsContact N-CE1 3.29Å
331	Y	98.8	Very high	98.6	Very high	9 Å²	9	15.5 Å²	15.5	4%	0.035	8%	0.076	C	C	.	.	H	α-helix	trans	-62.8	-48.7	178.5	-176.8	-129.9	0	0	0	112.8	E227 L228 R327 K328 S333 K334 I335 F375 F397 A401	E227-Y331 HydrophobicContact CB-CD2 4.5Å; E227-Y331 HydrophobicContact CB-CE1 4.36Å; E227-Y331 HydrophobicContact CB-CE2 4.07Å; E227-Y331 HydrophobicContact CG-CD1 3.62Å; E227-Y331 HydrophobicContact CG-CD2 3.68Å; E227-Y331 HydrophobicContact CG-CE1 3.6Å; E227-Y331 HydrophobicContact CG-CE2 3.67Å; E227-Y331 HydrophobicContact CG-CG 3.67Å; L228-Y331 HydrophobicContact CD2-CD2 4.06Å; L228-Y331 HydrophobicContact CD2-CG 4.47Å; R327-Y331 PolarHBondContact O-N 3.41Å; K328-Y331 PolarHBondContact O-N 3.23Å; Y331-S333 VanDerWaalsContact C-N 3.34Å; Y331-S333 PolarHBondContact O-N 3.24Å; Y331-K334 WeakPolarHBondContact O-CB 3.38Å; Y331-K334 PolarHBondContact O-N 2.78Å; Y331-I335 HydrophobicContact CD1-CD1 4.23Å; Y331-I335 HydrophobicContact CE1-CD1 3.87Å; Y331-I335 HydrophobicContact CE2-CD1 4.24Å; Y331-I335 HydrophobicContact CE2-CG1 4.28Å; Y331-I335 WeakPolarHBondContact O-CG1 3.27Å; Y331-I335 PolarHBondContact O-N 3.36Å; Y331-F375 AromaticContact CE2-CD2 3.64Å; Y331-F375 HydrophobicContact CE2-CD2 3.64Å; Y331-F375 AromaticContact CE2-CE2 3.68Å; Y331-F375 HydrophobicContact CE2-CE2 3.68Å; Y331-F397 WeakPolarHBondContact OH-CE1 3.41Å; Y331-F397 WeakPolarHBondContact OH-CZ 3.46Å; Y331-A401 HydrophobicContact CE1-CB 3.72Å
332	A	98.8	Very high	98.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.6	-42.2	176.9	0	0	0	0	0	112.5	K328 K334 I335 M336 C405 W409	K328-A332 PolarHBondContact O-N 2.69Å; A332-K334 VanDerWaalsContact C-N 3.34Å; A332-K334 PolarHBondContact O-N 3.18Å; A332-I335 WeakPolarHBondContact O-CB 3.36Å; A332-I335 PolarHBondContact O-N 3.2Å; A332-M336 PolarHBondContact O-N 3.38Å; A332-M336 VanDerWaalsContact O-N 3.14Å; A332-C405 HydrophobicContact CB-CB 3.78Å; A332-W409 HydrophobicContact CB-CD2 3.91Å; A332-W409 HydrophobicContact CB-CE3 3.79Å; A332-W409 HydrophobicContact CB-CG 4.32Å; A332-W409 HydrophobicContact CB-CZ3 4.19Å
333	S	98.9	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.6	-38.2	177.4	-54.7	0	0	0	0	111.8	L197 A329 L330 Y331 M336 S337 W409	L197-S333 VanDerWaalsContact CD2-CB 3.44Å; A329-S333 WeakPolarHBondContact O-CB 3.44Å; A329-S333 PolarHBondContact O-N 2.92Å; A329-S333 PolarHBondContact O-OG 3.4Å; L330-S333 PolarHBondContact O-N 2.97Å; Y331-S333 VanDerWaalsContact C-N 3.34Å; Y331-S333 PolarHBondContact O-N 3.24Å; S333-M336 WeakPolarHBondContact O-CB 3.47Å; S333-M336 PolarHBondContact O-N 2.98Å; S333-S337 PolarHBondContact O-N 2.96Å; S333-W409 PolarHBondContact OG-NE1 3.13Å
334	K	98.7	Very high	98.5	Very high	12 Å²	12	11.2 Å²	11.2	5%	0.052	5%	0.051	C	C	.	.	H	α-helix	trans	-61.1	-43.6	172.7	179.3	173.7	175.7	109.5	0	111.1	D194 L197 L228 L330 Y331 A332 M336 S337 Y338 F375	D194-K334 IonicContact OD1-NZ 3.23Å; D194-K334 IonicContact OD2-NZ 3.67Å; D194-K334 PolarHBondContact OD2-NZ 3.01Å; L197-K334 HydrophobicContact CD1-CB 4.17Å; L228-K334 HydrophobicContact CD2-CD 4.5Å; L330-K334 WeakPolarHBondContact O-CB 3.46Å; L330-K334 PolarHBondContact O-N 3.12Å; Y331-K334 WeakPolarHBondContact O-CB 3.38Å; Y331-K334 PolarHBondContact O-N 2.78Å; A332-K334 VanDerWaalsContact C-N 3.34Å; A332-K334 PolarHBondContact O-N 3.18Å; K334-M336 VanDerWaalsContact C-N 3.27Å; K334-M336 PolarHBondContact O-N 3.44Å; K334-S337 WeakPolarHBondContact O-CB 3.4Å; K334-S337 PolarHBondContact O-N 3.28Å; K334-S337 VanDerWaalsContact O-N 3.15Å; K334-Y338 HydrophobicContact CD-CE2 4.3Å; K334-Y338 HydrophobicContact CG-CD2 3.93Å; K334-Y338 HydrophobicContact CG-CE2 3.74Å; K334-Y338 PolarHBondContact NZ-OH 2.96Å; K334-Y338 VanDerWaalsContact O-CD2 3.31Å; K334-Y338 WeakPolarHBondContact O-CD2 3.42Å; K334-Y338 PolarHBondContact O-N 3.5Å; K334-Y338 VanDerWaalsContact O-N 3.12Å; K334-F375 HydrophobicContact CG-CE1 4.45Å
335	I	98.7	Very high	98.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-55.9	-43.8	174.5	-64.8	167	0	0	0	111	Y331 A332 Y338 A339 F375 L393 F398 A401 V402	Y331-I335 HydrophobicContact CD1-CD1 4.23Å; Y331-I335 HydrophobicContact CE1-CD1 3.87Å; Y331-I335 HydrophobicContact CE2-CD1 4.24Å; Y331-I335 HydrophobicContact CE2-CG1 4.28Å; Y331-I335 WeakPolarHBondContact O-CG1 3.27Å; Y331-I335 PolarHBondContact O-N 3.36Å; A332-I335 WeakPolarHBondContact O-CB 3.36Å; A332-I335 PolarHBondContact O-N 3.2Å; I335-Y338 PolarHBondContact O-N 3.04Å; I335-A339 WeakPolarHBondContact O-CB 3.37Å; I335-A339 PolarHBondContact O-N 3.28Å; I335-F375 HydrophobicContact CB-CZ 4.31Å; I335-F375 HydrophobicContact CG1-CE2 3.63Å; I335-F375 HydrophobicContact CG1-CZ 3.7Å; I335-L393 HydrophobicContact CG2-CD2 3.69Å; I335-F398 HydrophobicContact CD1-CD1 4.4Å; I335-F398 HydrophobicContact CG1-CD1 4.21Å; I335-F398 HydrophobicContact CG2-CB 4.22Å; I335-F398 HydrophobicContact CG2-CD1 4.02Å; I335-F398 HydrophobicContact CG2-CG 4.42Å; I335-A401 HydrophobicContact CD1-CB 3.8Å; I335-V402 HydrophobicContact CB-CG2 4.33Å; I335-V402 HydrophobicContact CD1-CG2 3.87Å; I335-V402 HydrophobicContact CG2-CG2 3.98Å
336	M	98.6	Very high	98.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.4	-44.4	176.9	-62.2	-52.2	116.1	0	0	112.6	A332 S333 K334 Y338 A339 Q340 L393 V402 W409 A429 F432 F433	A332-M336 PolarHBondContact O-N 3.38Å; A332-M336 VanDerWaalsContact O-N 3.14Å; S333-M336 WeakPolarHBondContact O-CB 3.47Å; S333-M336 PolarHBondContact O-N 2.98Å; K334-M336 VanDerWaalsContact C-N 3.27Å; K334-M336 PolarHBondContact O-N 3.44Å; M336-Y338 VanDerWaalsContact C-N 3.31Å; M336-Y338 PolarHBondContact O-N 2.98Å; M336-A339 PolarHBondContact O-N 3.17Å; M336-Q340 WeakPolarHBondContact O-CB 3.41Å; M336-Q340 VanDerWaalsContact O-CG 3.27Å; M336-Q340 WeakPolarHBondContact O-CG 3.49Å; M336-Q340 PolarHBondContact O-N 2.93Å; M336-L393 HydrophobicContact CE-CD1 4.02Å; M336-L393 HydrophobicContact CE-CD2 3.42Å; M336-L393 VanDerWaalsContact CE-CD2 3.42Å; M336-L393 HydrophobicContact CE-CG 4.36Å; M336-L393 HydrophobicContact SD-CD1 3.86Å; M336-L393 HydrophobicContact SD-CD2 4.21Å; M336-V402 HydrophobicContact CE-CG1 4.28Å; M336-V402 HydrophobicContact CE-CG2 3.61Å; M336-W409 HydrophobicContact CG-CH2 3.64Å; M336-W409 HydrophobicContact CG-CZ2 4.34Å; M336-W409 HydrophobicContact SD-CH2 4.47Å; M336-A429 HydrophobicContact CB-CB 3.71Å; M336-A429 HydrophobicContact CG-CB 3.86Å; M336-F432 HydrophobicContact CB-CD1 4.37Å; M336-F432 HydrophobicContact CG-CD1 4.37Å; M336-F432 HydrophobicContact SD-CD1 3.82Å; M336-F432 HydrophobicContact SD-CE1 4.09Å; M336-F433 HydrophobicContact CE-CB 4.5Å; M336-F433 HydrophobicContact CE-CD2 4.09Å; M336-F433 HydrophobicContact SD-CB 3.84Å; M336-F433 HydrophobicContact SD-CD2 4.21Å; M336-F433 HydrophobicContact SD-CG 4.44Å
337	S	97.9	Very high	98.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-54.3	-48.1	177.8	-177.9	0	0	0	0	111.5	S333 K334 G341	S333-S337 PolarHBondContact O-N 2.96Å; K334-S337 WeakPolarHBondContact O-CB 3.4Å; K334-S337 PolarHBondContact O-N 3.28Å; K334-S337 VanDerWaalsContact O-N 3.15Å; S337-G341 PolarHBondContact O-N 2.85Å
338	Y	98.5	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-71.4	-39.8	178.7	-78.3	-105.1	0	0	0	112.2	I190 D194 K334 I335 M336 Q340 G341 F342 I371 F375 L376 I379	I190-Y338 HydrophobicContact CD1-CD1 4.23Å; I190-Y338 HydrophobicContact CG2-CD1 4.14Å; I190-Y338 HydrophobicContact CG2-CD2 3.89Å; I190-Y338 HydrophobicContact CG2-CE1 3.79Å; I190-Y338 HydrophobicContact CG2-CE2 3.52Å; I190-Y338 HydrophobicContact CG2-CG 4.23Å; I190-Y338 VanDerWaalsContact CG2-CZ 3.5Å; D194-Y338 PolarHBondContact OD2-OH 3.37Å; K334-Y338 HydrophobicContact CD-CE2 4.3Å; K334-Y338 HydrophobicContact CG-CD2 3.93Å; K334-Y338 HydrophobicContact CG-CE2 3.74Å; K334-Y338 PolarHBondContact NZ-OH 2.96Å; K334-Y338 VanDerWaalsContact O-CD2 3.31Å; K334-Y338 WeakPolarHBondContact O-CD2 3.42Å; K334-Y338 PolarHBondContact O-N 3.5Å; K334-Y338 VanDerWaalsContact O-N 3.12Å; I335-Y338 PolarHBondContact O-N 3.04Å; M336-Y338 VanDerWaalsContact C-N 3.31Å; M336-Y338 PolarHBondContact O-N 2.98Å; Y338-Q340 VanDerWaalsContact C-N 3.33Å; Y338-Q340 PolarHBondContact O-N 3.1Å; Y338-G341 PolarHBondContact O-N 2.81Å; Y338-F342 HydrophobicContact CD1-CE2 4.48Å; Y338-F342 WeakPolarHBondContact O-CD2 3.29Å; Y338-F342 PolarHBondContact O-N 3.37Å; Y338-I371 HydrophobicContact CE1-CD1 4.2Å; Y338-I371 PolarHBondContact OH-O 2.88Å; Y338-F375 HydrophobicContact CD1-CD1 4.32Å; Y338-F375 HydrophobicContact CD1-CE1 4Å; Y338-F375 HydrophobicContact CD2-CD1 4.16Å; Y338-F375 AromaticContact CD2-CE1 3.63Å; Y338-F375 HydrophobicContact CD2-CE1 3.63Å; Y338-F375 HydrophobicContact CE1-CD1 4.24Å; Y338-F375 HydrophobicContact CE1-CE1 4.36Å; Y338-F375 HydrophobicContact CE2-CD1 4.08Å; Y338-F375 HydrophobicContact CE2-CE1 4.03Å; Y338-F375 HydrophobicContact CG-CD1 4.25Å; Y338-F375 AromaticContact CG-CE1 3.58Å; Y338-F375 HydrophobicContact CG-CE1 3.58Å; Y338-L376 HydrophobicContact CD1-CD2 4.41Å; Y338-L376 HydrophobicContact CE1-CD2 3.82Å; Y338-L376 HydrophobicContact CE1-CG 4.17Å; Y338-I379 HydrophobicContact CD1-CD1 3.38Å; Y338-I379 HydrophobicContact CE1-CD1 4.14Å; Y338-I379 HydrophobicContact CG-CD1 3.91Å
339	A	98.4	Very high	98.3	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.008	4%	0.038	C	C	.	.	H	α-helix	trans	-57	-47.8	175.3	0	0	0	0	0	111.1	I335 M336 G341 F342 M343 L392 L393	I335-A339 WeakPolarHBondContact O-CB 3.37Å; I335-A339 PolarHBondContact O-N 3.28Å; M336-A339 PolarHBondContact O-N 3.17Å; A339-G341 PolarHBondContact O-N 3.43Å; A339-F342 PolarHBondContact O-N 3.28Å; A339-M343 VanDerWaalsContact O-CG 3.28Å; A339-M343 WeakPolarHBondContact O-CG 3.39Å; A339-M343 PolarHBondContact O-N 2.71Å; A339-L392 HydrophobicContact CB-CB 4.15Å; A339-L393 HydrophobicContact CB-CD2 4.36Å; A339-L393 HydrophobicContact CB-CG 4.17Å
340	Q	98.5	Very high	98.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-63.7	-40.8	175.8	-65.1	174.2	3.9	0	0	112.1	L278 S279 L280 M336 Y338 F342 M343 M344 F432	L278-Q340 HydrophobicContact CD1-CB 3.61Å; S279-Q340 VanDerWaalsContact N-OE1 3.16Å; S279-Q340 PolarHBondContact OG-NE2 2.92Å; L280-Q340 VanDerWaalsContact N-OE1 3.15Å; M336-Q340 WeakPolarHBondContact O-CB 3.41Å; M336-Q340 VanDerWaalsContact O-CG 3.27Å; M336-Q340 WeakPolarHBondContact O-CG 3.49Å; M336-Q340 PolarHBondContact O-N 2.93Å; Y338-Q340 VanDerWaalsContact C-N 3.33Å; Y338-Q340 PolarHBondContact O-N 3.1Å; Q340-F342 PolarHBondContact O-N 3.34Å; Q340-M343 WeakPolarHBondContact O-CB 3.33Å; Q340-M343 PolarHBondContact O-N 3Å; Q340-M344 WeakPolarHBondContact O-CB 3.42Å; Q340-M344 PolarHBondContact O-N 3.26Å; Q340-F432 HydrophobicContact CG-CD1 4.19Å; Q340-F432 HydrophobicContact CG-CD2 4.28Å; Q340-F432 HydrophobicContact CG-CE1 3.93Å; Q340-F432 HydrophobicContact CG-CE2 4.02Å; Q340-F432 HydrophobicContact CG-CG 4.37Å; Q340-F432 HydrophobicContact CG-CZ 3.84Å
341	G	97.9	Very high	98.1	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.2	-40.9	176.7	0	0	0	0	0	113.3	S337 Y338 A339 M344 L345	S337-G341 PolarHBondContact O-N 2.85Å; Y338-G341 PolarHBondContact O-N 2.81Å; A339-G341 PolarHBondContact O-N 3.43Å; G341-M344 WeakPolarHBondContact O-CB 3.46Å; G341-M344 PolarHBondContact O-N 2.9Å; G341-L345 PolarHBondContact O-N 3.47Å; G341-L345 VanDerWaalsContact O-N 3.09Å
342	F	98.1	Very high	98	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-73.6	-34.4	175.8	-85.1	-91.4	0	0	0	112.9	Y338 A339 Q340 M344 L345 Q346 Y358 A362 W365 I379 F383 L392	Y338-F342 HydrophobicContact CD1-CE2 4.48Å; Y338-F342 WeakPolarHBondContact O-CD2 3.29Å; Y338-F342 PolarHBondContact O-N 3.37Å; A339-F342 PolarHBondContact O-N 3.28Å; Q340-F342 PolarHBondContact O-N 3.34Å; F342-M344 PolarHBondContact O-N 3.1Å; F342-L345 HydrophobicContact CD1-CD1 4.01Å; F342-L345 HydrophobicContact CE1-CD1 4.14Å; F342-L345 HydrophobicContact CG-CD1 4.43Å; F342-L345 WeakPolarHBondContact O-CB 3.49Å; F342-L345 PolarHBondContact O-N 3.49Å; F342-Q346 WeakPolarHBondContact O-CG 3.42Å; F342-Q346 PolarHBondContact O-N 2.97Å; F342-Y358 HydrophobicContact CD1-CD1 4.11Å; F342-Y358 HydrophobicContact CD1-CG 4.43Å; F342-Y358 HydrophobicContact CE1-CD1 4.46Å; F342-A362 HydrophobicContact CZ-CB 4.14Å; F342-W365 HydrophobicContact CE2-CE3 4.4Å; F342-W365 AromaticContact CE2-CZ3 3.81Å; F342-W365 HydrophobicContact CE2-CZ3 3.81Å; F342-W365 HydrophobicContact CZ-CE3 4.35Å; F342-W365 AromaticContact CZ-CZ3 3.92Å; F342-W365 HydrophobicContact CZ-CZ3 3.92Å; F342-I379 HydrophobicContact CD2-CG2 4.4Å; F342-I379 HydrophobicContact CE1-CG2 4.2Å; F342-I379 HydrophobicContact CE2-CD1 4.03Å; F342-I379 HydrophobicContact CE2-CG2 3.67Å; F342-I379 HydrophobicContact CZ-CG2 3.56Å; F342-F383 HydrophobicContact CB-CZ 4.28Å; F342-F383 HydrophobicContact CD1-CD2 4.34Å; F342-F383 AromaticContact CD1-CE2 3.28Å; F342-F383 HydrophobicContact CD1-CE2 3.28Å; F342-F383 AromaticContact CD1-CZ 3.53Å; F342-F383 HydrophobicContact CD1-CZ 3.53Å; F342-F383 HydrophobicContact CE1-CD2 4.12Å; F342-F383 AromaticContact CE1-CE2 3.45Å; F342-F383 HydrophobicContact CE1-CE2 3.45Å; F342-F383 VanDerWaalsContact CE1-CE2 3.45Å; F342-F383 HydrophobicContact CE1-CZ 4.14Å; F342-F383 AromaticContact CG-CE2 3.9Å; F342-F383 HydrophobicContact CG-CE2 3.9Å; F342-F383 HydrophobicContact CG-CZ 4.08Å; F342-F383 HydrophobicContact CZ-CE2 4.19Å; F342-L392 HydrophobicContact CD2-CD1 3.93Å; F342-L392 HydrophobicContact CG-CD1 4.39Å
343	M	97.6	Very high	97.9	Very high	37 Å²	37	23.8 Å²	23.8	18%	0.182	13%	0.133	C	C	.	.	H	α-helix	trans	-58.2	-39	169.3	-70.8	169.8	67.2	0	0	111.3	V276 P277 A339 Q340 Q346 A347 F432 F436	V276-M343 HydrophobicContact CG1-CB 4.24Å; P277-M343 HydrophobicContact CG-CE 4.16Å; A339-M343 VanDerWaalsContact O-CG 3.28Å; A339-M343 WeakPolarHBondContact O-CG 3.39Å; A339-M343 PolarHBondContact O-N 2.71Å; Q340-M343 WeakPolarHBondContact O-CB 3.33Å; Q340-M343 PolarHBondContact O-N 3Å; M343-Q346 WeakPolarHBondContact O-CB 3.24Å; M343-Q346 PolarHBondContact O-N 3.44Å; M343-A347 PolarHBondContact O-N 3.41Å; M343-F432 HydrophobicContact SD-CZ 3.94Å; M343-F436 HydrophobicContact CE-CE2 4.38Å
344	M	96.8	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.7	-42.6	177	-176.8	-82.3	-140.8	0	0	111.8	Y182 M185 V186 T267 V276 L278 Q340 G341 F342 Q346 A347 A348	Y182-M344 HydrophobicContact CD1-SD 4.49Å; Y182-M344 HydrophobicContact CE1-CE 3.78Å; Y182-M344 HydrophobicContact CE1-SD 3.32Å; Y182-M344 WeakPolarHBondContact CE1-SD 3.49Å; Y182-M344 HydrophobicContact CE2-CE 4.41Å; Y182-M344 WeakPolarHBondContact OH-CE 3.47Å; Y182-M344 PolarHBondContact OH-SD 3.46Å; M185-M344 HydrophobicContact CE-CE 3.66Å; V186-M344 HydrophobicContact CB-CE 4.34Å; V186-M344 HydrophobicContact CB-SD 4.42Å; V186-M344 HydrophobicContact CG1-CE 4.49Å; V186-M344 HydrophobicContact CG1-SD 4.25Å; V186-M344 HydrophobicContact CG2-CE 3.43Å; V186-M344 VanDerWaalsContact CG2-CE 3.43Å; V186-M344 HydrophobicContact CG2-SD 3.38Å; V186-M344 WeakPolarHBondContact CG2-SD 3.46Å; T267-M344 HydrophobicContact CG2-CE 3.63Å; V276-M344 HydrophobicContact CG1-CB 4.08Å; L278-M344 HydrophobicContact CD1-CB 4.38Å; Q340-M344 WeakPolarHBondContact O-CB 3.42Å; Q340-M344 PolarHBondContact O-N 3.26Å; G341-M344 WeakPolarHBondContact O-CB 3.46Å; G341-M344 PolarHBondContact O-N 2.9Å; F342-M344 PolarHBondContact O-N 3.1Å; M344-Q346 VanDerWaalsContact C-N 3.28Å; M344-Q346 PolarHBondContact O-N 2.86Å; M344-A347 PolarHBondContact O-N 2.73Å; M344-A348 WeakPolarHBondContact O-CB 3.06Å; M344-A348 PolarHBondContact O-N 3.19Å
345	L	98.2	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.6	-39.9	171.8	-71	172.8	0	0	0	112.3	Y182 V183 V186 G341 F342 A348 A349 F356 Y358 I361 W365	Y182-L345 HydrophobicContact CD1-CD2 4.18Å; Y182-L345 HydrophobicContact CE1-CD2 4.36Å; V183-L345 HydrophobicContact CG2-CD2 3.9Å; V186-L345 HydrophobicContact CB-CD2 4.13Å; V186-L345 HydrophobicContact CB-CG 4.45Å; V186-L345 HydrophobicContact CG1-CD2 4.41Å; V186-L345 HydrophobicContact CG1-CG 4.19Å; V186-L345 HydrophobicContact CG2-CD2 3.47Å; V186-L345 VanDerWaalsContact CG2-CD2 3.47Å; V186-L345 HydrophobicContact CG2-CG 4.08Å; G341-L345 PolarHBondContact O-N 3.47Å; G341-L345 VanDerWaalsContact O-N 3.09Å; F342-L345 HydrophobicContact CD1-CD1 4.01Å; F342-L345 HydrophobicContact CE1-CD1 4.14Å; F342-L345 HydrophobicContact CG-CD1 4.43Å; F342-L345 WeakPolarHBondContact O-CB 3.49Å; F342-L345 PolarHBondContact O-N 3.49Å; L345-A348 PolarHBondContact O-N 3.42Å; L345-A349 WeakPolarHBondContact O-CB 3.33Å; L345-A349 PolarHBondContact O-N 2.75Å; L345-F356 HydrophobicContact CB-CD2 4.33Å; L345-F356 HydrophobicContact CB-CE2 4.43Å; L345-F356 HydrophobicContact CD2-CE2 4.09Å; L345-F356 WeakPolarHBondContact O-CD2 3.47Å; L345-F356 WeakPolarHBondContact O-CE2 3.44Å; L345-Y358 HydrophobicContact CB-CD1 4.4Å; L345-Y358 HydrophobicContact CB-CE1 4.04Å; L345-I361 HydrophobicContact CD1-CD1 4.14Å; L345-I361 HydrophobicContact CD1-CG2 4.05Å; L345-W365 HydrophobicContact CD1-CH2 4.03Å
346	Q	97.9	Very high	97.7	Very high	38 Å²	38	32.1 Å²	32.1	18%	0.178	17%	0.172	C	C	.	.	H	α-helix	trans	-67	-44.9	177.8	-71.2	167.9	-13	0	0	112.4	F342 M343 M344 A348 A349 A350 Y358 L389 V390	F342-Q346 WeakPolarHBondContact O-CG 3.42Å; F342-Q346 PolarHBondContact O-N 2.97Å; M343-Q346 WeakPolarHBondContact O-CB 3.24Å; M343-Q346 PolarHBondContact O-N 3.44Å; M344-Q346 VanDerWaalsContact C-N 3.28Å; M344-Q346 PolarHBondContact O-N 2.86Å; Q346-A348 VanDerWaalsContact C-N 3.31Å; Q346-A348 PolarHBondContact O-N 2.94Å; Q346-A349 WeakPolarHBondContact O-CB 3.14Å; Q346-A349 PolarHBondContact O-N 2.95Å; Q346-A350 PolarHBondContact O-N 3.34Å; Q346-Y358 WeakPolarHBondContact CA-OH 3.37Å; Q346-Y358 HydrophobicContact CG-CE1 3.79Å; Q346-Y358 HydrophobicContact CG-CE2 4.1Å; Q346-Y358 VanDerWaalsContact CG-CZ 3.5Å; Q346-Y358 WeakPolarHBondContact CG-OH 3.47Å; Q346-L389 PolarHBondContact NE2-O 2.97Å; Q346-V390 PolarHBondContact OE1-O 3.5Å
347	A	97.7	Very high	97.6	Very high	27 Å²	27	36.7 Å²	36.7	22%	0.223	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-40.8	175.9	0	0	0	0	0	111.5	L274 V276 M343 M344 A350 K351	L274-A347 HydrophobicContact CB-CB 4.3Å; L274-A347 HydrophobicContact CD1-CB 4.29Å; V276-A347 HydrophobicContact CG2-CB 3.36Å; M343-A347 PolarHBondContact O-N 3.41Å; M344-A347 PolarHBondContact O-N 2.73Å; A347-A350 PolarHBondContact O-N 3.38Å; A347-K351 WeakPolarHBondContact O-CB 3.2Å; A347-K351 PolarHBondContact O-N 3.26Å
348	A	98	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-40.8	175.5	0	0	0	0	0	112.4	Y182 L274 M344 L345 Q346 A350 K351 Y352 W354	Y182-A348 HydrophobicContact CD1-CB 3.91Å; Y182-A348 HydrophobicContact CE1-CB 3.15Å; Y182-A348 HydrophobicContact CE2-CB 4.16Å; Y182-A348 WeakPolarHBondContact OH-CB 3.33Å; L274-A348 HydrophobicContact CD1-CB 4.07Å; M344-A348 WeakPolarHBondContact O-CB 3.06Å; M344-A348 PolarHBondContact O-N 3.19Å; L345-A348 PolarHBondContact O-N 3.42Å; Q346-A348 VanDerWaalsContact C-N 3.31Å; Q346-A348 PolarHBondContact O-N 2.94Å; A348-A350 VanDerWaalsContact C-N 3.3Å; A348-A350 PolarHBondContact O-N 3Å; A348-K351 PolarHBondContact O-N 3.47Å; A348-Y352 HydrophobicContact CB-CD2 4.21Å; A348-Y352 HydrophobicContact CB-CE2 4.43Å; A348-Y352 WeakPolarHBondContact O-CB 3.24Å; A348-Y352 VanDerWaalsContact O-CD2 3.27Å; A348-Y352 WeakPolarHBondContact O-CD2 3.34Å; A348-Y352 PolarHBondContact O-N 2.9Å; A348-W354 HydrophobicContact CB-CE3 4.42Å; A348-W354 HydrophobicContact CB-CZ3 4.23Å
349	A	97.7	Very high	97.5	Very high	10 Å²	10	38.2 Å²	38.2	8%	0.083	20%	0.203	C	C	.	.	H	α-helix	trans	-57	-45.5	174	0	0	0	0	0	111.4	L345 Q346 N353 W354 F356	L345-A349 WeakPolarHBondContact O-CB 3.33Å; L345-A349 PolarHBondContact O-N 2.75Å; Q346-A349 WeakPolarHBondContact O-CB 3.14Å; Q346-A349 PolarHBondContact O-N 2.95Å; A349-N353 CarbonylContact O-C 3.49Å; A349-N353 WeakPolarHBondContact O-CA 3.46Å; A349-N353 PolarHBondContact O-N 3.46Å; A349-W354 WeakPolarHBondContact CB-O 3.35Å; A349-W354 PolarHBondContact O-N 2.85Å; A349-F356 HydrophobicContact CB-CD2 3.74Å; A349-F356 HydrophobicContact CB-CE2 4.2Å; A349-F356 HydrophobicContact CB-CG 4.47Å
350	A	97	Very high	97.4	Very high	84 Å²	84	39.7 Å²	39.7	69%	0.694	21%	0.213	S	C	*	.	H	α-helix	trans	-64.7	-48.3	176	0	0	0	0	0	112.3	Q346 A347 A348 Y352	Q346-A350 PolarHBondContact O-N 3.34Å; A347-A350 PolarHBondContact O-N 3.38Å; A348-A350 VanDerWaalsContact C-N 3.3Å; A348-A350 PolarHBondContact O-N 3Å; A350-Y352 PolarHBondContact O-N 3.3Å
351	K	97.3	Very high	97.4	Very high	137 Å²	137	39.8 Å²	39.8	60%	0.596	21%	0.213	S	C	*	.	H	α-helix	trans	-62.9	-41	-178	-178.3	67.3	173.9	-166.4	0	113.1	L274 A347 A348	L274-K351 HydrophobicContact CD2-CB 3.65Å; L274-K351 HydrophobicContact CD2-CD 4.34Å; L274-K351 HydrophobicContact CD2-CG 3.69Å; A347-K351 WeakPolarHBondContact O-CB 3.2Å; A347-K351 PolarHBondContact O-N 3.26Å; A348-K351 PolarHBondContact O-N 3.47Å
352	Y	97.1	Very high	97.4	Very high	25 Å²	25	39.8 Å²	39.8	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-103.8	3	-172.8	-58.1	-58	0	0	0	113.8	F107 Y182 A348 A350 W354	F107-Y352 HydrophobicContact CE2-CD2 4.42Å; F107-Y352 HydrophobicContact CE2-CE1 4.3Å; F107-Y352 AromaticContact CE2-CE2 3.66Å; F107-Y352 HydrophobicContact CE2-CE2 3.66Å; F107-Y352 AromaticContact CE2-CZ 3.59Å; F107-Y352 HydrophobicContact CZ-CE2 4.05Å; F107-Y352 AromaticContact CZ-CZ 3.91Å; F107-Y352 WeakPolarHBondContact CZ-OH 3.42Å; Y182-Y352 HydrophobicContact CE2-CE2 4.42Å; A348-Y352 HydrophobicContact CB-CD2 4.21Å; A348-Y352 HydrophobicContact CB-CE2 4.43Å; A348-Y352 WeakPolarHBondContact O-CB 3.24Å; A348-Y352 VanDerWaalsContact O-CD2 3.27Å; A348-Y352 WeakPolarHBondContact O-CD2 3.34Å; A348-Y352 PolarHBondContact O-N 2.9Å; A350-Y352 PolarHBondContact O-N 3.3Å; Y352-W354 VanDerWaalsContact C-N 3.25Å; Y352-W354 HydrophobicContact CD2-CE3 4.02Å; Y352-W354 AromaticContact CD2-CH2 3.73Å; Y352-W354 HydrophobicContact CD2-CH2 3.73Å; Y352-W354 HydrophobicContact CD2-CZ2 4.24Å; Y352-W354 AromaticContact CD2-CZ3 3.6Å; Y352-W354 HydrophobicContact CD2-CZ3 3.6Å; Y352-W354 HydrophobicContact CE2-CH2 4.39Å; Y352-W354 HydrophobicContact CE2-CZ3 4.38Å; Y352-W354 HydrophobicContact CG-CE3 4.45Å; Y352-W354 HydrophobicContact CG-CH2 4.16Å; Y352-W354 HydrophobicContact CG-CZ2 4.21Å; Y352-W354 HydrophobicContact CG-CZ3 4.27Å; Y352-W354 PolarHBondContact O-N 2.84Å
353	N	97.1	Very high	97.4	Very high	125 Å²	125	40.1 Å²	40.1	67%	0.668	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	41.4	-176	-167.1	32.8	0	0	0	112.7	A349	A349-N353 CarbonylContact O-C 3.49Å; A349-N353 WeakPolarHBondContact O-CA 3.46Å; A349-N353 PolarHBondContact O-N 3.46Å
354	W	97.5	Very high	97.4	Very high	6 Å²	6	38.4 Å²	38.4	2%	0.023	21%	0.207	C	C	.	.			trans	-86.6	143.7	172.9	-64.1	-30.2	0	0	0	110.8	F107 D177 A179 Y182 A348 A349 Y352 F356	F107-W354 AromaticContact CD2-CH2 3.92Å; F107-W354 HydrophobicContact CD2-CH2 3.92Å; F107-W354 HydrophobicContact CE2-CH2 4.34Å; D177-W354 VanDerWaalsContact OD1-CZ2 3.22Å; D177-W354 WeakPolarHBondContact OD1-CZ2 3.47Å; D177-W354 PolarHBondContact OD1-NE1 3.15Å; A179-W354 HydrophobicContact CB-CD2 4.06Å; A179-W354 HydrophobicContact CB-CG 4.33Å; A179-W354 HydrophobicContact CB-CZ2 4.35Å; Y182-W354 AromaticContact CD1-CZ3 3.86Å; Y182-W354 HydrophobicContact CD1-CZ3 3.86Å; Y182-W354 HydrophobicContact CD2-CH2 4.05Å; Y182-W354 AromaticContact CD2-CZ3 3.93Å; Y182-W354 HydrophobicContact CD2-CZ3 3.93Å; Y182-W354 AromaticContact CG-CH2 3.89Å; Y182-W354 HydrophobicContact CG-CH2 3.89Å; Y182-W354 AromaticContact CG-CZ3 3.51Å; Y182-W354 HydrophobicContact CG-CZ3 3.51Å; A348-W354 HydrophobicContact CB-CE3 4.42Å; A348-W354 HydrophobicContact CB-CZ3 4.23Å; A349-W354 WeakPolarHBondContact CB-O 3.35Å; A349-W354 PolarHBondContact O-N 2.85Å; Y352-W354 VanDerWaalsContact C-N 3.25Å; Y352-W354 HydrophobicContact CD2-CE3 4.02Å; Y352-W354 AromaticContact CD2-CH2 3.73Å; Y352-W354 HydrophobicContact CD2-CH2 3.73Å; Y352-W354 HydrophobicContact CD2-CZ2 4.24Å; Y352-W354 AromaticContact CD2-CZ3 3.6Å; Y352-W354 HydrophobicContact CD2-CZ3 3.6Å; Y352-W354 HydrophobicContact CE2-CH2 4.39Å; Y352-W354 HydrophobicContact CE2-CZ3 4.38Å; Y352-W354 HydrophobicContact CG-CE3 4.45Å; Y352-W354 HydrophobicContact CG-CH2 4.16Å; Y352-W354 HydrophobicContact CG-CZ2 4.21Å; Y352-W354 HydrophobicContact CG-CZ3 4.27Å; Y352-W354 PolarHBondContact O-N 2.84Å; W354-F356 HydrophobicContact CB-CD1 4.32Å; W354-F356 HydrophobicContact CB-CE1 4.07Å; W354-F356 HydrophobicContact CB-CE2 4.47Å; W354-F356 HydrophobicContact CB-CZ 4.16Å; W354-F356 HydrophobicContact CD2-CE1 4.35Å; W354-F356 AromaticContact CD2-CZ 3.96Å; W354-F356 HydrophobicContact CD2-CZ 3.96Å; W354-F356 HydrophobicContact CE3-CE1 4.05Å; W354-F356 AromaticContact CE3-CE2 3.77Å; W354-F356 HydrophobicContact CE3-CE2 3.77Å; W354-F356 AromaticContact CE3-CZ 3.23Å; W354-F356 HydrophobicContact CE3-CZ 3.23Å; W354-F356 HydrophobicContact CG-CE1 4.43Å; W354-F356 HydrophobicContact CG-CZ 4.38Å; W354-F356 HydrophobicContact CZ3-CE2 4.48Å; W354-F356 AromaticContact CZ3-CZ 3.89Å; W354-F356 HydrophobicContact CZ3-CZ 3.89Å
355	Q	95.9	Very high	97.5	Very high	163 Å²	163	38.4 Å²	38.4	76%	0.762	21%	0.207	S	C	*	.			trans	-103.7	77.8	177.2	-63.3	-63.7	-29.9	0	0	109
356	F	97.3	Very high	97.4	Very high	19 Å²	19	40.2 Å²	40.2	8%	0.083	21%	0.214	C	C	.	.			trans	-74.4	136.5	179.6	-71.2	-34.4	0	0	0	112.2	V174 A179 V183 L345 A349 W354 Y358 I361	V174-F356 HydrophobicContact CG1-CD1 4.19Å; V174-F356 HydrophobicContact CG1-CE1 3.84Å; V174-F356 WeakPolarHBondContact O-CD1 3.34Å; A179-F356 HydrophobicContact CB-CE1 3.89Å; A179-F356 HydrophobicContact CB-CZ 4.47Å; V183-F356 HydrophobicContact CG2-CE1 4Å; V183-F356 HydrophobicContact CG2-CZ 4.05Å; L345-F356 HydrophobicContact CB-CD2 4.33Å; L345-F356 HydrophobicContact CB-CE2 4.43Å; L345-F356 HydrophobicContact CD2-CE2 4.09Å; L345-F356 WeakPolarHBondContact O-CD2 3.47Å; L345-F356 WeakPolarHBondContact O-CE2 3.44Å; A349-F356 HydrophobicContact CB-CD2 3.74Å; A349-F356 HydrophobicContact CB-CE2 4.2Å; A349-F356 HydrophobicContact CB-CG 4.47Å; W354-F356 HydrophobicContact CB-CD1 4.32Å; W354-F356 HydrophobicContact CB-CE1 4.07Å; W354-F356 HydrophobicContact CB-CE2 4.47Å; W354-F356 HydrophobicContact CB-CZ 4.16Å; W354-F356 HydrophobicContact CD2-CE1 4.35Å; W354-F356 AromaticContact CD2-CZ 3.96Å; W354-F356 HydrophobicContact CD2-CZ 3.96Å; W354-F356 HydrophobicContact CE3-CE1 4.05Å; W354-F356 AromaticContact CE3-CE2 3.77Å; W354-F356 HydrophobicContact CE3-CE2 3.77Å; W354-F356 AromaticContact CE3-CZ 3.23Å; W354-F356 HydrophobicContact CE3-CZ 3.23Å; W354-F356 HydrophobicContact CG-CE1 4.43Å; W354-F356 HydrophobicContact CG-CZ 4.38Å; W354-F356 HydrophobicContact CZ3-CE2 4.48Å; W354-F356 AromaticContact CZ3-CZ 3.89Å; W354-F356 HydrophobicContact CZ3-CZ 3.89Å; F356-Y358 HydrophobicContact CB-CD1 4.14Å; F356-Y358 HydrophobicContact CB-CE1 3.73Å; F356-Y358 HydrophobicContact CD2-CE1 4.1Å; F356-Y358 HydrophobicContact CG-CE1 4.42Å; F356-I361 HydrophobicContact CB-CD1 4Å; F356-I361 HydrophobicContact CD1-CD1 4.11Å; F356-I361 HydrophobicContact CD2-CD1 4.44Å; F356-I361 HydrophobicContact CG-CD1 3.96Å
357	N	97.2	Very high	97.3	Very high	95 Å²	95	38.7 Å²	38.7	51%	0.508	21%	0.208	S	C	.	.			trans	-94.7	98.5	160.3	-174.9	-33.4	0	0	0	108.9	G359 S360 I361	N357-G359 VanDerWaalsContact C-N 3.28Å; N357-G359 PolarHBondContact O-N 3.39Å; N357-G359 PolarHBondContact OD1-N 2.91Å; N357-G359 VanDerWaalsContact OD1-N 3.14Å; N357-S360 PolarHBondContact ND2-OG 3.01Å; N357-S360 WeakPolarHBondContact O-CB 3.3Å; N357-S360 PolarHBondContact O-N 2.84Å; N357-S360 VanDerWaalsContact O-N 3.1Å; N357-S360 PolarHBondContact OD1-N 3.46Å; N357-S360 PolarHBondContact OD1-OG 2.93Å; N357-I361 WeakPolarHBondContact O-CG1 3.45Å; N357-I361 PolarHBondContact O-N 2.89Å
358	Y	97.9	Very high	97.2	Very high	31 Å²	31	37.9 Å²	37.9	12%	0.122	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-34.1	-177.3	-55.2	-65	0	0	0	112.9	F342 L345 Q346 F356 I361 A362 F383	F342-Y358 HydrophobicContact CD1-CD1 4.11Å; F342-Y358 HydrophobicContact CD1-CG 4.43Å; F342-Y358 HydrophobicContact CE1-CD1 4.46Å; L345-Y358 HydrophobicContact CB-CD1 4.4Å; L345-Y358 HydrophobicContact CB-CE1 4.04Å; Q346-Y358 WeakPolarHBondContact CA-OH 3.37Å; Q346-Y358 HydrophobicContact CG-CE1 3.79Å; Q346-Y358 HydrophobicContact CG-CE2 4.1Å; Q346-Y358 VanDerWaalsContact CG-CZ 3.5Å; Q346-Y358 WeakPolarHBondContact CG-OH 3.47Å; F356-Y358 HydrophobicContact CB-CD1 4.14Å; F356-Y358 HydrophobicContact CB-CE1 3.73Å; F356-Y358 HydrophobicContact CD2-CE1 4.1Å; F356-Y358 HydrophobicContact CG-CE1 4.42Å; Y358-I361 PolarHBondContact O-N 3.34Å; Y358-A362 WeakPolarHBondContact O-CB 3.28Å; Y358-A362 PolarHBondContact O-N 3Å; Y358-F383 HydrophobicContact CD2-CD1 4.09Å; Y358-F383 AromaticContact CD2-CE1 3.9Å; Y358-F383 HydrophobicContact CD2-CE1 3.9Å; Y358-F383 HydrophobicContact CG-CD1 4.19Å; Y358-F383 AromaticContact CG-CE1 3.93Å; Y358-F383 HydrophobicContact CG-CE1 3.93Å; Y358-F383 HydrophobicContact CG-CZ 4.15Å
359	G	97	Very high	97.2	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-42.2	172.8	0	0	0	0	0	112	N357 A362 M363	N357-G359 VanDerWaalsContact C-N 3.28Å; N357-G359 PolarHBondContact O-N 3.39Å; N357-G359 PolarHBondContact OD1-N 2.91Å; N357-G359 VanDerWaalsContact OD1-N 3.14Å; G359-A362 PolarHBondContact O-N 3.42Å; G359-M363 WeakPolarHBondContact O-CB 3.48Å; G359-M363 PolarHBondContact O-N 3.16Å
360	S	96.6	Very high	97.1	Very high	32 Å²	32	38.7 Å²	38.7	22%	0.224	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-38.5	173.6	-61.5	0	0	0	0	112.5	N357 M363 M364	N357-S360 PolarHBondContact ND2-OG 3.01Å; N357-S360 WeakPolarHBondContact O-CB 3.3Å; N357-S360 PolarHBondContact O-N 2.84Å; N357-S360 VanDerWaalsContact O-N 3.1Å; N357-S360 PolarHBondContact OD1-N 3.46Å; N357-S360 PolarHBondContact OD1-OG 2.93Å; S360-M363 WeakPolarHBondContact O-CB 3.34Å; S360-M363 PolarHBondContact O-N 3.03Å; S360-M364 WeakPolarHBondContact O-CG 3.3Å; S360-M364 PolarHBondContact O-N 2.94Å
361	I	98.2	Very high	97.1	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-49	174.4	-67.8	169.7	0	0	0	110.5	V183 L345 F356 N357 Y358 M363 M364 W365	V183-I361 HydrophobicContact CG1-CG1 4.31Å; V183-I361 HydrophobicContact CG1-CG2 3.8Å; V183-I361 HydrophobicContact CG2-CD1 3.8Å; V183-I361 HydrophobicContact CG2-CG1 4.31Å; L345-I361 HydrophobicContact CD1-CD1 4.14Å; L345-I361 HydrophobicContact CD1-CG2 4.05Å; F356-I361 HydrophobicContact CB-CD1 4Å; F356-I361 HydrophobicContact CD1-CD1 4.11Å; F356-I361 HydrophobicContact CD2-CD1 4.44Å; F356-I361 HydrophobicContact CG-CD1 3.96Å; N357-I361 WeakPolarHBondContact O-CG1 3.45Å; N357-I361 PolarHBondContact O-N 2.89Å; Y358-I361 PolarHBondContact O-N 3.34Å; I361-M363 VanDerWaalsContact C-N 3.28Å; I361-M363 PolarHBondContact O-N 3.08Å; I361-M364 HydrophobicContact CB-CE 4.42Å; I361-M364 HydrophobicContact CG1-CE 4.06Å; I361-M364 PolarHBondContact O-N 3Å; I361-W365 HydrophobicContact CG2-CD2 4.04Å; I361-W365 HydrophobicContact CG2-CE3 4.12Å; I361-W365 HydrophobicContact CG2-CH2 3.7Å; I361-W365 HydrophobicContact CG2-CZ2 3.57Å; I361-W365 HydrophobicContact CG2-CZ3 3.96Å; I361-W365 PolarHBondContact O-N 3.14Å
362	A	97.7	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.8	-42.7	175.2	0	0	0	0	0	111.5	F342 Y358 G359 W365 R366 I379 K380	F342-A362 HydrophobicContact CZ-CB 4.14Å; Y358-A362 WeakPolarHBondContact O-CB 3.28Å; Y358-A362 PolarHBondContact O-N 3Å; G359-A362 PolarHBondContact O-N 3.42Å; A362-W365 PolarHBondContact O-N 3.21Å; A362-R366 WeakPolarHBondContact O-CG 3.18Å; A362-R366 PolarHBondContact O-N 3.1Å; A362-I379 HydrophobicContact CB-CB 4.14Å; A362-I379 HydrophobicContact CB-CG2 3.64Å; A362-K380 HydrophobicContact CB-CB 4.14Å
363	M	97	Very high	97	Very high	9 Å²	9	30.9 Å²	30.9	4%	0.044	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-47.5	176.2	-174.9	-73.8	-66.5	0	0	112	V168 P169 Q172 G359 S360 I361 W365 R366 K380	V168-M363 HydrophobicContact CB-SD 4.39Å; V168-M363 HydrophobicContact CG1-CE 3.82Å; V168-M363 HydrophobicContact CG1-CG 4.22Å; V168-M363 HydrophobicContact CG1-SD 3.66Å; P169-M363 VanDerWaalsContact O-CE 3.24Å; P169-M363 WeakPolarHBondContact O-CE 3.22Å; P169-M363 VanDerWaalsContact O-SD 3.39Å; Q172-M363 HydrophobicContact CG-CE 3.35Å; G359-M363 WeakPolarHBondContact O-CB 3.48Å; G359-M363 PolarHBondContact O-N 3.16Å; S360-M363 WeakPolarHBondContact O-CB 3.34Å; S360-M363 PolarHBondContact O-N 3.03Å; I361-M363 VanDerWaalsContact C-N 3.28Å; I361-M363 PolarHBondContact O-N 3.08Å; M363-W365 PolarHBondContact O-N 3.48Å; M363-W365 VanDerWaalsContact O-N 3.17Å; M363-R366 WeakPolarHBondContact O-CB 3.47Å; M363-R366 PolarHBondContact O-N 2.93Å; M363-K380 HydrophobicContact CB-CD 4.14Å; M363-K380 HydrophobicContact CG-CD 4.45Å
364	M	98.1	Very high	96.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-27.5	177.7	-70.9	-172.5	-64.3	0	0	112.6	S141 L142 M143 C170 Q172 V174 S360 I361	S141-M364 WeakPolarHBondContact CB-O 3.47Å; S141-M364 PolarHBondContact OG-O 3.43Å; L142-M364 VanDerWaalsContact O-SD 3.34Å; M143-M364 HydrophobicContact CG-CE 4.34Å; M143-M364 HydrophobicContact CG-SD 4.33Å; C170-M364 WeakPolarHBondContact CB-O 3.42Å; Q172-M364 HydrophobicContact CB-CG 4.33Å; Q172-M364 HydrophobicContact CB-SD 4.09Å; Q172-M364 HydrophobicContact CG-CG 4.45Å; Q172-M364 PolarHBondContact N-SD 3.31Å; V174-M364 HydrophobicContact CG2-CE 3.66Å; V174-M364 HydrophobicContact CG2-SD 4.17Å; S360-M364 WeakPolarHBondContact O-CG 3.3Å; S360-M364 PolarHBondContact O-N 2.94Å; I361-M364 HydrophobicContact CB-CE 4.42Å; I361-M364 HydrophobicContact CG1-CE 4.06Å; I361-M364 PolarHBondContact O-N 3Å
365	W	98.3	Very high	96.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-84.1	-14.2	176.4	-61.7	-15.6	0	0	0	113.1	M143 V183 V186 H187 I190 F342 L345 I361 A362 M363 G367 C369 I371 R372 L376	M143-W365 VanDerWaalsContact CE-CD1 3.49Å; M143-W365 VanDerWaalsContact CE-NE1 3.29Å; V183-W365 HydrophobicContact CG1-CZ2 3.58Å; V186-W365 HydrophobicContact CB-CH2 4.41Å; V186-W365 HydrophobicContact CG1-CH2 4.3Å; H187-W365 HydrophobicContact CB-CZ2 3.8Å; H187-W365 AromaticContact CD2-CD1 3.98Å; I190-W365 HydrophobicContact CD1-CH2 3.98Å; I190-W365 HydrophobicContact CD1-CZ3 3.7Å; F342-W365 HydrophobicContact CE2-CE3 4.4Å; F342-W365 AromaticContact CE2-CZ3 3.81Å; F342-W365 HydrophobicContact CE2-CZ3 3.81Å; F342-W365 HydrophobicContact CZ-CE3 4.35Å; F342-W365 AromaticContact CZ-CZ3 3.92Å; F342-W365 HydrophobicContact CZ-CZ3 3.92Å; L345-W365 HydrophobicContact CD1-CH2 4.03Å; I361-W365 HydrophobicContact CG2-CD2 4.04Å; I361-W365 HydrophobicContact CG2-CE3 4.12Å; I361-W365 HydrophobicContact CG2-CH2 3.7Å; I361-W365 HydrophobicContact CG2-CZ2 3.57Å; I361-W365 HydrophobicContact CG2-CZ3 3.96Å; I361-W365 PolarHBondContact O-N 3.14Å; A362-W365 PolarHBondContact O-N 3.21Å; M363-W365 PolarHBondContact O-N 3.48Å; M363-W365 VanDerWaalsContact O-N 3.17Å; W365-G367 PolarHBondContact O-N 3.13Å; W365-C369 PolarHBondContact O-SG 3.47Å; W365-I371 HydrophobicContact CB-CD1 4.32Å; W365-I371 HydrophobicContact CB-CG1 4.37Å; W365-I371 HydrophobicContact CD2-CD1 4.02Å; W365-I371 HydrophobicContact CE3-CD1 3.97Å; W365-I371 HydrophobicContact CG-CD1 4.19Å; W365-R372 WeakPolarHBondContact O-CA 3.43Å; W365-L376 VanDerWaalsContact C-CD1 3.45Å; W365-L376 HydrophobicContact CB-CD1 3.61Å; W365-L376 HydrophobicContact CB-CD2 3.83Å; W365-L376 HydrophobicContact CB-CG 4.37Å; W365-L376 HydrophobicContact CE3-CD2 4.07Å; W365-L376 WeakPolarHBondContact O-CD1 3.32Å
366	R	97	Very high	96.5	Very high	39 Å²	39	20.5 Å²	20.5	15%	0.147	11%	0.108	C	C	.	.	S	Bend	trans	-62.1	-26.7	-177.3	-73.5	177.2	70.2	-155.9	0.9	113.7	V165 D166 A362 M363 R372 L376 H377	V165-R366 HydrophobicContact CB-CB 4.49Å; V165-R366 HydrophobicContact CG1-CB 4.47Å; V165-R366 VanDerWaalsContact CG1-CZ 3.42Å; V165-R366 VanDerWaalsContact CG1-NH2 3.32Å; V165-R366 HydrophobicContact CG2-CB 4.12Å; D166-R366 IonicContact OD2-CZ 3.51Å; D166-R366 VanDerWaalsContact OD2-CZ 3.28Å; D166-R366 IonicContact OD2-NH1 3.39Å; D166-R366 PolarHBondContact OD2-NH1 2.65Å; D166-R366 IonicContact OD2-NH2 2.72Å; D166-R366 PolarHBondContact OD2-NH2 3.23Å; A362-R366 WeakPolarHBondContact O-CG 3.18Å; A362-R366 PolarHBondContact O-N 3.1Å; M363-R366 WeakPolarHBondContact O-CB 3.47Å; M363-R366 PolarHBondContact O-N 2.93Å; R366-R372 WeakPolarHBondContact O-CB 3.34Å; R366-L376 HydrophobicContact CG-CB 3.8Å; R366-H377 PolarHBondContact NH2-ND1 2.76Å
367	G	95.5	Very high	96.5	Very high	6 Å²	6	22.5 Å²	22.5	6%	0.062	12%	0.118	C	C	.	.	S	Bend	trans	-143.5	162.1	-178.5	0	0	0	0	0	112	C170 W365 C369	C170-G367 PolarHBondContact SG-N 3.03Å; W365-G367 PolarHBondContact O-N 3.13Å; G367-C369 PolarHBondContact O-N 2.75Å
368	G	95.8	Very high	96.4	Very high	10 Å²	10	22.7 Å²	22.7	10%	0.103	11%	0.111	C	C	.	.	S	Bend	trans	71.4	-34.4	176.6	0	0	0	0	0	115.8	G131 G139 A163	G131-G368 WeakPolarHBondContact CA-O 3.43Å; G139-G368 WeakPolarHBondContact O-CA 3.37Å; A163-G368 VanDerWaalsContact CB-CA 3.47Å; A163-G368 VanDerWaalsContact CB-N 3.35Å
369	C	97.3	Very high	96.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-80.7	171.5	179	85.9	0	0	0	0	113.2	S130 H187 W365 G367 I371 R372	S130-C369 WeakPolarHBondContact OG-CB 3.33Å; H187-C369 WeakPolarHBondContact NE2-CB 3.25Å; W365-C369 PolarHBondContact O-SG 3.47Å; G367-C369 PolarHBondContact O-N 2.75Å; C369-I371 VanDerWaalsContact SG-CG1 3.5Å; C369-R372 WeakPolarHBondContact O-CB 3.41Å; C369-R372 WeakPolarHBondContact O-CD 3.41Å; C369-R372 VanDerWaalsContact O-CG 3.27Å; C369-R372 WeakPolarHBondContact O-CG 3.45Å; C369-R372 PolarHBondContact O-NH1 3.06Å; C369-R372 PolarHBondContact SG-N 3.4Å
370	I	96.6	Very high	96.4	Very high	27 Å²	27	23.4 Å²	23.4	14%	0.138	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-38.3	-180	-56	-56.3	0	0	0	111.6	E191 Y231 L232 R372	E191-I370 HydrophobicContact CG-CB 4.29Å; E191-I370 HydrophobicContact CG-CG2 3.88Å; E191-I370 WeakPolarHBondContact OE2-CB 3.49Å; E191-I370 WeakPolarHBondContact OE2-CG1 3.41Å; Y231-I370 HydrophobicContact CD1-CG2 4.28Å; Y231-I370 WeakPolarHBondContact CD1-O 3.19Å; Y231-I370 HydrophobicContact CE1-CD1 4.2Å; Y231-I370 HydrophobicContact CE1-CG2 4.4Å; L232-I370 HydrophobicContact CD1-CG2 4.41Å; L232-I370 HydrophobicContact CD2-CG2 3.75Å; L232-I370 HydrophobicContact CG-CG2 4.17Å; I370-R372 PolarHBondContact O-N 2.81Å
371	I	97.8	Very high	96.4	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	11.4	-178.4	69.1	173.6	0	0	0	113.9	I190 E191 Y338 W365 C369 S373 L376	I190-I371 HydrophobicContact CB-CD1 4.31Å; I190-I371 HydrophobicContact CG2-CD1 3.95Å; I190-I371 HydrophobicContact CG2-CG2 4.41Å; E191-I371 HydrophobicContact CB-CG2 3.66Å; E191-I371 HydrophobicContact CG-CG2 4.21Å; Y338-I371 HydrophobicContact CE1-CD1 4.2Å; Y338-I371 PolarHBondContact OH-O 2.88Å; W365-I371 HydrophobicContact CB-CD1 4.32Å; W365-I371 HydrophobicContact CB-CG1 4.37Å; W365-I371 HydrophobicContact CD2-CD1 4.02Å; W365-I371 HydrophobicContact CE3-CD1 3.97Å; W365-I371 HydrophobicContact CG-CD1 4.19Å; C369-I371 VanDerWaalsContact SG-CG1 3.5Å; I371-S373 PolarHBondContact O-N 3.41Å; I371-S373 PolarHBondContact O-OG 3.2Å; I371-L376 HydrophobicContact CG1-CD1 4.35Å; I371-L376 WeakPolarHBondContact O-CD1 3.44Å
372	R	96	Very high	96.4	Very high	68 Å²	68	24.1 Å²	24.1	26%	0.257	11%	0.114	S	C	.	.			trans	-58.1	132.3	-178.2	70	-177.3	-178.4	-78.3	5.1	111.3	S230 Y231 W365 R366 C369 I370	S230-R372 WeakPolarHBondContact CA-O 3.45Å; Y231-R372 VanDerWaalsContact CD1-NH1 3.29Å; Y231-R372 VanDerWaalsContact CG-NH2 3.32Å; Y231-R372 PolarHBondContact N-O 3.3Å; Y231-R372 VanDerWaalsContact N-O 3.12Å; W365-R372 WeakPolarHBondContact O-CA 3.43Å; R366-R372 WeakPolarHBondContact O-CB 3.34Å; C369-R372 WeakPolarHBondContact O-CB 3.41Å; C369-R372 WeakPolarHBondContact O-CD 3.41Å; C369-R372 VanDerWaalsContact O-CG 3.27Å; C369-R372 WeakPolarHBondContact O-CG 3.45Å; C369-R372 PolarHBondContact O-NH1 3.06Å; C369-R372 PolarHBondContact SG-N 3.4Å; I370-R372 PolarHBondContact O-N 2.81Å
373	S	94.8	Very high	96.4	Very high	12 Å²	12	24.4 Å²	24.4	8%	0.084	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-166	157.7	-171.1	53.7	0	0	0	0	111.6	N229 I371 F375 L376	N229-S373 WeakPolarHBondContact O-CA 3.37Å; N229-S373 WeakPolarHBondContact O-CB 3.38Å; I371-S373 PolarHBondContact O-N 3.41Å; I371-S373 PolarHBondContact O-OG 3.2Å; S373-F375 PolarHBondContact O-N 3.41Å; S373-L376 PolarHBondContact O-N 2.9Å
374	V	92.6	Very high	96.4	Very high	72 Å²	72	28.1 Å²	28.1	44%	0.436	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.3	169.5	-60.6	0	0	0	0	111.5	N229 L376 H377	N229-V374 HydrophobicContact CB-CG1 3.99Å; N229-V374 HydrophobicContact CB-CG2 3.78Å; N229-V374 PolarHBondContact O-N 2.87Å; N229-V374 VanDerWaalsContact O-N 3.16Å; N229-V374 WeakPolarHBondContact OD1-CG1 3.35Å; V374-L376 VanDerWaalsContact C-N 3.26Å; V374-L376 PolarHBondContact O-N 3.46Å; V374-H377 VanDerWaalsContact O-CB 3.24Å; V374-H377 WeakPolarHBondContact O-CB 3.46Å; V374-H377 PolarHBondContact O-N 2.85Å
375	F	93.1	Very high	96.3	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	16%	0.161	C	C	.	.	H	α-helix	trans	-54.9	-38.6	176.6	-175.4	-110	0	0	0	113.2	Y331 K334 I335 Y338 S373 H377 R378 I379 F398	Y331-F375 AromaticContact CE2-CD2 3.64Å; Y331-F375 HydrophobicContact CE2-CD2 3.64Å; Y331-F375 AromaticContact CE2-CE2 3.68Å; Y331-F375 HydrophobicContact CE2-CE2 3.68Å; K334-F375 HydrophobicContact CG-CE1 4.45Å; I335-F375 HydrophobicContact CB-CZ 4.31Å; I335-F375 HydrophobicContact CG1-CE2 3.63Å; I335-F375 HydrophobicContact CG1-CZ 3.7Å; Y338-F375 HydrophobicContact CD1-CD1 4.32Å; Y338-F375 HydrophobicContact CD1-CE1 4Å; Y338-F375 HydrophobicContact CD2-CD1 4.16Å; Y338-F375 AromaticContact CD2-CE1 3.63Å; Y338-F375 HydrophobicContact CD2-CE1 3.63Å; Y338-F375 HydrophobicContact CE1-CD1 4.24Å; Y338-F375 HydrophobicContact CE1-CE1 4.36Å; Y338-F375 HydrophobicContact CE2-CD1 4.08Å; Y338-F375 HydrophobicContact CE2-CE1 4.03Å; Y338-F375 HydrophobicContact CG-CD1 4.25Å; Y338-F375 AromaticContact CG-CE1 3.58Å; Y338-F375 HydrophobicContact CG-CE1 3.58Å; S373-F375 PolarHBondContact O-N 3.41Å; F375-H377 PolarHBondContact O-N 3.09Å; F375-R378 WeakPolarHBondContact O-CB 3.38Å; F375-R378 PolarHBondContact O-N 3.06Å; F375-R378 VanDerWaalsContact O-N 3.09Å; F375-I379 HydrophobicContact CD1-CD1 4.05Å; F375-I379 HydrophobicContact CE1-CD1 3.66Å; F375-I379 HydrophobicContact CE1-CG1 4.22Å; F375-I379 HydrophobicContact CZ-CD1 4.4Å; F375-I379 PolarHBondContact O-N 2.71Å; F375-F398 HydrophobicContact CD2-CE1 4.32Å; F375-F398 HydrophobicContact CE2-CD1 4.07Å; F375-F398 AromaticContact CE2-CE1 3.47Å; F375-F398 HydrophobicContact CE2-CE1 3.47Å; F375-F398 VanDerWaalsContact CE2-CE1 3.47Å; F375-F398 HydrophobicContact CZ-CD1 4.19Å; F375-F398 AromaticContact CZ-CE1 3.59Å; F375-F398 HydrophobicContact CZ-CE1 3.59Å
376	L	95.7	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.7	-22.4	179.2	-80.2	160	0	0	0	113.8	Y338 W365 R366 I371 S373 V374 R378 I379 K380	Y338-L376 HydrophobicContact CD1-CD2 4.41Å; Y338-L376 HydrophobicContact CE1-CD2 3.82Å; Y338-L376 HydrophobicContact CE1-CG 4.17Å; W365-L376 VanDerWaalsContact C-CD1 3.45Å; W365-L376 HydrophobicContact CB-CD1 3.61Å; W365-L376 HydrophobicContact CB-CD2 3.83Å; W365-L376 HydrophobicContact CB-CG 4.37Å; W365-L376 HydrophobicContact CE3-CD2 4.07Å; W365-L376 WeakPolarHBondContact O-CD1 3.32Å; R366-L376 HydrophobicContact CG-CB 3.8Å; I371-L376 HydrophobicContact CG1-CD1 4.35Å; I371-L376 WeakPolarHBondContact O-CD1 3.44Å; S373-L376 PolarHBondContact O-N 2.9Å; V374-L376 VanDerWaalsContact C-N 3.26Å; V374-L376 PolarHBondContact O-N 3.46Å; L376-R378 VanDerWaalsContact C-N 3.34Å; L376-I379 HydrophobicContact CD2-CD1 4.25Å; L376-I379 PolarHBondContact O-N 3.29Å; L376-K380 PolarHBondContact O-N 3.17Å
377	H	95.3	Very high	96.2	Very high	62 Å²	62	38.7 Å²	38.7	29%	0.287	19%	0.194	S	C	.	.	H	α-helix	trans	-64	-43	171	-175.2	62.8	0	0	0	110.9	R366 V374 F375 I379 K380 E381	R366-H377 PolarHBondContact NH2-ND1 2.76Å; V374-H377 VanDerWaalsContact O-CB 3.24Å; V374-H377 WeakPolarHBondContact O-CB 3.46Å; V374-H377 PolarHBondContact O-N 2.85Å; F375-H377 PolarHBondContact O-N 3.09Å; H377-I379 VanDerWaalsContact C-N 3.32Å; H377-I379 PolarHBondContact O-N 3.47Å; H377-K380 WeakPolarHBondContact O-CB 3.19Å; H377-K380 PolarHBondContact O-N 3.27Å; H377-K380 VanDerWaalsContact O-N 3.16Å; H377-E381 IonicContact CD2-OE1 3.98Å; H377-E381 IonicContact NE2-OE1 2.76Å; H377-E381 PolarHBondContact NE2-OE1 2.93Å; H377-E381 WeakPolarHBondContact O-CG 3.49Å; H377-E381 PolarHBondContact O-N 2.87Å
378	R	96.7	Very high	96.1	Very high	99 Å²	99	45.6 Å²	45.6	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-37.6	177.9	-59.6	-61.2	-172	-162.4	2	112.4	F375 L376 E381 A382 F397 F398	F375-R378 WeakPolarHBondContact O-CB 3.38Å; F375-R378 PolarHBondContact O-N 3.06Å; F375-R378 VanDerWaalsContact O-N 3.09Å; L376-R378 VanDerWaalsContact C-N 3.34Å; R378-E381 VanDerWaalsContact CD-OE2 3.22Å; R378-E381 WeakPolarHBondContact CD-OE2 3.29Å; R378-E381 IonicContact CZ-OE2 2.65Å; R378-E381 IonicContact NE-OE2 3.24Å; R378-E381 IonicContact NH1-OE1 2.79Å; R378-E381 PolarHBondContact NH1-OE1 3.44Å; R378-E381 IonicContact NH1-OE2 3.23Å; R378-E381 PolarHBondContact NH1-OE2 2.69Å; R378-E381 PolarHBondContact O-N 2.79Å; R378-A382 PolarHBondContact O-N 3.22Å; R378-F397 HydrophobicContact CB-CD1 3.83Å; R378-F397 HydrophobicContact CB-CE1 3.64Å; R378-F397 HydrophobicContact CB-CZ 4.24Å; R378-F397 HydrophobicContact CG-CD1 4.06Å; R378-F397 HydrophobicContact CG-CE1 3.52Å; R378-F397 HydrophobicContact CG-CE2 4.17Å; R378-F397 HydrophobicContact CG-CZ 3.58Å; R378-F398 HydrophobicContact CB-CE1 4.24Å; R378-F398 HydrophobicContact CB-CZ 3.85Å
379	I	97.9	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-45.1	174.4	-64.4	-174.2	0	0	0	110.4	Y338 F342 A362 F375 L376 H377 E381 A382 F383 L392 F398	Y338-I379 HydrophobicContact CD1-CD1 3.38Å; Y338-I379 HydrophobicContact CE1-CD1 4.14Å; Y338-I379 HydrophobicContact CG-CD1 3.91Å; F342-I379 HydrophobicContact CD2-CG2 4.4Å; F342-I379 HydrophobicContact CE1-CG2 4.2Å; F342-I379 HydrophobicContact CE2-CD1 4.03Å; F342-I379 HydrophobicContact CE2-CG2 3.67Å; F342-I379 HydrophobicContact CZ-CG2 3.56Å; A362-I379 HydrophobicContact CB-CB 4.14Å; A362-I379 HydrophobicContact CB-CG2 3.64Å; F375-I379 HydrophobicContact CD1-CD1 4.05Å; F375-I379 HydrophobicContact CE1-CD1 3.66Å; F375-I379 HydrophobicContact CE1-CG1 4.22Å; F375-I379 HydrophobicContact CZ-CD1 4.4Å; F375-I379 PolarHBondContact O-N 2.71Å; L376-I379 HydrophobicContact CD2-CD1 4.25Å; L376-I379 PolarHBondContact O-N 3.29Å; H377-I379 VanDerWaalsContact C-N 3.32Å; H377-I379 PolarHBondContact O-N 3.47Å; I379-E381 PolarHBondContact O-N 3.36Å; I379-A382 PolarHBondContact O-N 2.99Å; I379-F383 HydrophobicContact CG2-CD2 3.87Å; I379-F383 HydrophobicContact CG2-CE2 3.86Å; I379-F383 WeakPolarHBondContact O-CD2 3.47Å; I379-F383 PolarHBondContact O-N 3.46Å; I379-F383 VanDerWaalsContact O-N 3.13Å; I379-L392 HydrophobicContact CD1-CD1 3.86Å; I379-L392 HydrophobicContact CG1-CD1 4.06Å; I379-L392 HydrophobicContact CG2-CD1 4.33Å; I379-L392 HydrophobicContact CG2-CD2 4.07Å; I379-F398 HydrophobicContact CB-CZ 4.34Å; I379-F398 HydrophobicContact CG1-CE1 4.24Å; I379-F398 HydrophobicContact CG1-CE2 4.3Å; I379-F398 HydrophobicContact CG1-CZ 3.53Å
380	K	96.8	Very high	96	Very high	48 Å²	48	50.6 Å²	50.6	21%	0.209	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-49.9	175.9	-172.9	-163.9	-179.9	-52.7	0	110.7	A362 M363 L376 H377 A382 F383 D384	A362-K380 HydrophobicContact CB-CB 4.14Å; M363-K380 HydrophobicContact CB-CD 4.14Å; M363-K380 HydrophobicContact CG-CD 4.45Å; L376-K380 PolarHBondContact O-N 3.17Å; H377-K380 WeakPolarHBondContact O-CB 3.19Å; H377-K380 PolarHBondContact O-N 3.27Å; H377-K380 VanDerWaalsContact O-N 3.16Å; K380-A382 VanDerWaalsContact C-N 3.29Å; K380-A382 PolarHBondContact O-N 3.47Å; K380-F383 PolarHBondContact O-N 2.91Å; K380-D384 IonicContact NZ-OD1 3.49Å; K380-D384 PolarHBondContact NZ-OD1 3.04Å; K380-D384 IonicContact NZ-OD2 2.69Å; K380-D384 PolarHBondContact NZ-OD2 3.46Å; K380-D384 WeakPolarHBondContact O-CB 3.27Å; K380-D384 PolarHBondContact O-N 3.39Å
381	E	97.1	Very high	96.1	Very high	49 Å²	49	49.4 Å²	49.4	23%	0.229	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-39.9	179.1	-69.5	179.1	140.3	0	0	112.4	H377 R378 I379 D384 R385	H377-E381 IonicContact CD2-OE1 3.98Å; H377-E381 IonicContact NE2-OE1 2.76Å; H377-E381 PolarHBondContact NE2-OE1 2.93Å; H377-E381 WeakPolarHBondContact O-CG 3.49Å; H377-E381 PolarHBondContact O-N 2.87Å; R378-E381 VanDerWaalsContact CD-OE2 3.22Å; R378-E381 WeakPolarHBondContact CD-OE2 3.29Å; R378-E381 IonicContact CZ-OE2 2.65Å; R378-E381 IonicContact NE-OE2 3.24Å; R378-E381 IonicContact NH1-OE1 2.79Å; R378-E381 PolarHBondContact NH1-OE1 3.44Å; R378-E381 IonicContact NH1-OE2 3.23Å; R378-E381 PolarHBondContact NH1-OE2 2.69Å; R378-E381 PolarHBondContact O-N 2.79Å; I379-E381 PolarHBondContact O-N 3.36Å; E381-D384 PolarHBondContact O-N 3.4Å; E381-R385 WeakPolarHBondContact O-CG 3.29Å; E381-R385 PolarHBondContact O-N 2.86Å
382	A	98.2	Very high	96	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-45.7	176.9	0	0	0	0	0	112	R378 I379 K380 R385 A386 L389 L392 D395 F398	R378-A382 PolarHBondContact O-N 3.22Å; I379-A382 PolarHBondContact O-N 2.99Å; K380-A382 VanDerWaalsContact C-N 3.29Å; K380-A382 PolarHBondContact O-N 3.47Å; A382-R385 PolarHBondContact O-N 3.34Å; A382-A386 PolarHBondContact O-N 2.92Å; A382-L389 HydrophobicContact CB-CD2 4.19Å; A382-L392 HydrophobicContact CB-CD2 4.49Å; A382-D395 HydrophobicContact CB-CB 3.91Å; A382-F398 HydrophobicContact CB-CE2 3.91Å
383	F	97.8	Very high	96.1	Very high	5 Å²	5	46.9 Å²	46.9	2%	0.022	24%	0.243	C	C	.	.	H	α-helix	trans	-75.3	-26	176.6	-75.2	-65.1	0	0	0	113.8	F342 Y358 I379 K380 R385 A386 P387 L389 L392	F342-F383 HydrophobicContact CB-CZ 4.28Å; F342-F383 HydrophobicContact CD1-CD2 4.34Å; F342-F383 AromaticContact CD1-CE2 3.28Å; F342-F383 HydrophobicContact CD1-CE2 3.28Å; F342-F383 AromaticContact CD1-CZ 3.53Å; F342-F383 HydrophobicContact CD1-CZ 3.53Å; F342-F383 HydrophobicContact CE1-CD2 4.12Å; F342-F383 AromaticContact CE1-CE2 3.45Å; F342-F383 HydrophobicContact CE1-CE2 3.45Å; F342-F383 VanDerWaalsContact CE1-CE2 3.45Å; F342-F383 HydrophobicContact CE1-CZ 4.14Å; F342-F383 AromaticContact CG-CE2 3.9Å; F342-F383 HydrophobicContact CG-CE2 3.9Å; F342-F383 HydrophobicContact CG-CZ 4.08Å; F342-F383 HydrophobicContact CZ-CE2 4.19Å; Y358-F383 HydrophobicContact CD2-CD1 4.09Å; Y358-F383 AromaticContact CD2-CE1 3.9Å; Y358-F383 HydrophobicContact CD2-CE1 3.9Å; Y358-F383 HydrophobicContact CG-CD1 4.19Å; Y358-F383 AromaticContact CG-CE1 3.93Å; Y358-F383 HydrophobicContact CG-CE1 3.93Å; Y358-F383 HydrophobicContact CG-CZ 4.15Å; I379-F383 HydrophobicContact CG2-CD2 3.87Å; I379-F383 HydrophobicContact CG2-CE2 3.86Å; I379-F383 WeakPolarHBondContact O-CD2 3.47Å; I379-F383 PolarHBondContact O-N 3.46Å; I379-F383 VanDerWaalsContact O-N 3.13Å; K380-F383 PolarHBondContact O-N 2.91Å; F383-R385 VanDerWaalsContact C-N 3.34Å; F383-A386 CarbonylContact O-C 3.6Å; F383-A386 VanDerWaalsContact O-C 3.3Å; F383-P387 VanDerWaalsContact O-CA 3.25Å; F383-P387 WeakPolarHBondContact O-CA 3.29Å; F383-P387 WeakPolarHBondContact O-CD 3.28Å; F383-P387 VanDerWaalsContact O-N 3.11Å; F383-L389 HydrophobicContact CD1-CB 4.12Å; F383-L389 HydrophobicContact CE1-CB 3.92Å; F383-L392 HydrophobicContact CD2-CD2 4.3Å; F383-L392 HydrophobicContact CE2-CD2 3.61Å; F383-L392 HydrophobicContact CE2-CG 4.46Å; F383-L392 HydrophobicContact CZ-CD2 3.98Å
384	D	96.1	Very high	96.2	Very high	88 Å²	88	51.9 Å²	51.9	47%	0.471	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-40.8	170.5	-68.7	-21.1	0	0	0	110.5	K380 E381	K380-D384 IonicContact NZ-OD1 3.49Å; K380-D384 PolarHBondContact NZ-OD1 3.04Å; K380-D384 IonicContact NZ-OD2 2.69Å; K380-D384 PolarHBondContact NZ-OD2 3.46Å; K380-D384 WeakPolarHBondContact O-CB 3.27Å; K380-D384 PolarHBondContact O-N 3.39Å; E381-D384 PolarHBondContact O-N 3.4Å
385	R	96.8	Very high	96.5	Very high	141 Å²	141	49 Å²	49	53%	0.532	25%	0.246	S	C	.	.	H	α-helix	trans	-68.5	-44.2	175.1	-74.1	-172.6	-66.8	-89.9	4.6	112.3	E381 A382 F383 D395	E381-R385 WeakPolarHBondContact O-CG 3.29Å; E381-R385 PolarHBondContact O-N 2.86Å; A382-R385 PolarHBondContact O-N 3.34Å; F383-R385 VanDerWaalsContact C-N 3.34Å; R385-D395 IonicContact CZ-OD2 2.81Å; R385-D395 IonicContact NE-OD2 3.62Å; R385-D395 PolarHBondContact NE-OD2 2.97Å; R385-D395 VanDerWaalsContact NH2-CG 3.27Å; R385-D395 IonicContact NH2-OD1 3.36Å; R385-D395 PolarHBondContact NH2-OD1 3.46Å; R385-D395 VanDerWaalsContact NH2-OD1 3.13Å; R385-D395 IonicContact NH2-OD2 2.73Å; R385-D395 PolarHBondContact NH2-OD2 3.3Å
386	A	97	Very high	96.7	Very high	38 Å²	38	55.3 Å²	55.3	31%	0.314	28%	0.275	S	S	.	.			trans	-137.2	89.6	-176.5	0	0	0	0	0	110.8	A382 F383 N388 L389	A382-A386 PolarHBondContact O-N 2.92Å; F383-A386 CarbonylContact O-C 3.6Å; F383-A386 VanDerWaalsContact O-C 3.3Å; A386-N388 PolarHBondContact O-N 3.5Å; A386-N388 VanDerWaalsContact O-N 3.12Å; A386-L389 HydrophobicContact CB-CB 4.16Å; A386-L389 VanDerWaalsContact O-CB 3.24Å; A386-L389 WeakPolarHBondContact O-CB 3.48Å; A386-L389 PolarHBondContact O-N 3.35Å
387	P	95.8	Very high	96.8	Very high	82 Å²	82	58.4 Å²	58.4	53%	0.532	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.9	-177.7	-28.1	35.7	0	0	0	114.6	F383	F383-P387 VanDerWaalsContact O-CA 3.25Å; F383-P387 WeakPolarHBondContact O-CA 3.29Å; F383-P387 WeakPolarHBondContact O-CD 3.28Å; F383-P387 VanDerWaalsContact O-N 3.11Å
388	N	93.5	Very high	97	Very high	151 Å²	151	55.5 Å²	55.5	81%	0.807	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	25.6	179.6	-60.9	-30.3	0	0	0	112.8	A386 V390	A386-N388 PolarHBondContact O-N 3.5Å; A386-N388 VanDerWaalsContact O-N 3.12Å; N388-V390 PolarHBondContact O-N 2.92Å; N388-V390 VanDerWaalsContact O-N 3.17Å
389	L	96.1	Very high	97	Very high	19 Å²	19	58 Å²	58	10%	0.099	28%	0.284	C	S	.	.			trans	-57.6	117.7	178.4	-177.4	68.9	0	0	0	110.8	Q346 A382 F383 A386 S391 L392 F394 D395	Q346-L389 PolarHBondContact NE2-O 2.97Å; A382-L389 HydrophobicContact CB-CD2 4.19Å; F383-L389 HydrophobicContact CD1-CB 4.12Å; F383-L389 HydrophobicContact CE1-CB 3.92Å; A386-L389 HydrophobicContact CB-CB 4.16Å; A386-L389 VanDerWaalsContact O-CB 3.24Å; A386-L389 WeakPolarHBondContact O-CB 3.48Å; A386-L389 PolarHBondContact O-N 3.35Å; L389-S391 VanDerWaalsContact C-N 3.34Å; L389-S391 WeakPolarHBondContact CD2-O 3.46Å; L389-S391 VanDerWaalsContact CG-O 3.25Å; L389-S391 WeakPolarHBondContact CG-O 3.49Å; L389-S391 PolarHBondContact O-N 3.4Å; L389-L392 HydrophobicContact CD2-CD2 4.19Å; L389-F394 HydrophobicContact CD1-CB 3.84Å; L389-D395 HydrophobicContact CD2-CB 3.94Å
390	V	94.9	Very high	97	Very high	96 Å²	96	60.3 Å²	60.3	58%	0.582	30%	0.301	S	S	*	.	S	Bend	trans	-65.5	-35.7	-176.4	176.7	0	0	0	0	112.6	Q346 N388 F394	Q346-V390 PolarHBondContact OE1-O 3.5Å; N388-V390 PolarHBondContact O-N 2.92Å; N388-V390 VanDerWaalsContact O-N 3.17Å; V390-F394 HydrophobicContact CB-CD2 3.99Å; V390-F394 HydrophobicContact CB-CE2 3.8Å; V390-F394 HydrophobicContact CG1-CE2 3.99Å
391	S	97.2	Very high	97.1	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.021	30%	0.295	C	S	.	.			trans	-149.9	143.3	176.5	175.7	0	0	0	0	109.4	L389 L393 F394	L389-S391 VanDerWaalsContact C-N 3.34Å; L389-S391 WeakPolarHBondContact CD2-O 3.46Å; L389-S391 VanDerWaalsContact CG-O 3.25Å; L389-S391 WeakPolarHBondContact CG-O 3.49Å; L389-S391 PolarHBondContact O-N 3.4Å; S391-L393 PolarHBondContact O-N 3.46Å; S391-L393 VanDerWaalsContact O-N 3.09Å; S391-L393 PolarHBondContact OG-N 3.25Å; S391-F394 WeakPolarHBondContact O-CB 3.44Å; S391-F394 PolarHBondContact O-N 2.88Å
392	L	97.7	Very high	97.2	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-54.7	-28.8	172.7	-71.1	179.1	0	0	0	112.1	A339 F342 I379 A382 F383 L389 F394 D395 F398	A339-L392 HydrophobicContact CB-CB 4.15Å; F342-L392 HydrophobicContact CD2-CD1 3.93Å; F342-L392 HydrophobicContact CG-CD1 4.39Å; I379-L392 HydrophobicContact CD1-CD1 3.86Å; I379-L392 HydrophobicContact CG1-CD1 4.06Å; I379-L392 HydrophobicContact CG2-CD1 4.33Å; I379-L392 HydrophobicContact CG2-CD2 4.07Å; A382-L392 HydrophobicContact CB-CD2 4.49Å; F383-L392 HydrophobicContact CD2-CD2 4.3Å; F383-L392 HydrophobicContact CE2-CD2 3.61Å; F383-L392 HydrophobicContact CE2-CG 4.46Å; F383-L392 HydrophobicContact CZ-CD2 3.98Å; L389-L392 HydrophobicContact CD2-CD2 4.19Å; L392-F394 PolarHBondContact O-N 3.11Å; L392-D395 PolarHBondContact O-N 3.45Å; L392-F398 HydrophobicContact CB-CD2 4.1Å; L392-F398 HydrophobicContact CB-CE2 4.42Å; L392-F398 HydrophobicContact CD2-CD2 4.35Å; L392-F398 HydrophobicContact CD2-CE2 3.93Å; L392-F398 WeakPolarHBondContact O-CB 3.21Å; L392-F398 VanDerWaalsContact O-CD2 3.3Å; L392-F398 WeakPolarHBondContact O-CD2 3.42Å
393	L	97.5	Very high	97.2	Very high	16 Å²	16	61.2 Å²	61.2	8%	0.084	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-69.4	-11.6	178.6	-55.9	-176.6	0	0	0	114.1	I335 M336 A339 S391 V402 F432 F433 F436	I335-L393 HydrophobicContact CG2-CD2 3.69Å; M336-L393 HydrophobicContact CE-CD1 4.02Å; M336-L393 HydrophobicContact CE-CD2 3.42Å; M336-L393 VanDerWaalsContact CE-CD2 3.42Å; M336-L393 HydrophobicContact CE-CG 4.36Å; M336-L393 HydrophobicContact SD-CD1 3.86Å; M336-L393 HydrophobicContact SD-CD2 4.21Å; A339-L393 HydrophobicContact CB-CD2 4.36Å; A339-L393 HydrophobicContact CB-CG 4.17Å; S391-L393 PolarHBondContact O-N 3.46Å; S391-L393 VanDerWaalsContact O-N 3.09Å; S391-L393 PolarHBondContact OG-N 3.25Å; L393-V402 HydrophobicContact CD2-CG2 4.32Å; L393-F432 HydrophobicContact CD1-CE1 4.38Å; L393-F433 HydrophobicContact CD1-CD2 4.47Å; L393-F436 HydrophobicContact CB-CE1 4.4Å; L393-F436 HydrophobicContact CD1-CD1 3.83Å; L393-F436 HydrophobicContact CD1-CE1 4.06Å
394	F	97.4	Very high	97.2	Very high	116 Å²	116	67.4 Å²	67.4	51%	0.509	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-87.8	-14.8	176	-64.1	-3.9	0	0	0	112.4	L389 V390 S391 L392 F436	L389-F394 HydrophobicContact CD1-CB 3.84Å; V390-F394 HydrophobicContact CB-CD2 3.99Å; V390-F394 HydrophobicContact CB-CE2 3.8Å; V390-F394 HydrophobicContact CG1-CE2 3.99Å; S391-F394 WeakPolarHBondContact O-CB 3.44Å; S391-F394 PolarHBondContact O-N 2.88Å; L392-F394 PolarHBondContact O-N 3.11Å; F394-F436 HydrophobicContact CD1-CE1 4.49Å; F394-F436 AromaticContact CE1-CE1 3.67Å; F394-F436 HydrophobicContact CE1-CE1 3.67Å; F394-F436 AromaticContact CE1-CZ 3.92Å; F394-F436 HydrophobicContact CE1-CZ 3.92Å; F394-F436 HydrophobicContact CZ-CE1 4.27Å; F394-F436 HydrophobicContact CZ-CZ 4.06Å
395	D	98.2	Very high	97.4	Very high	13 Å²	13	63.4 Å²	63.4	7%	0.07	32%	0.319	C	S	.	.	S	Bend	trans	-76	141.3	171.9	176.2	-94.1	0	0	0	110.8	A382 R385 L389 L392 F397 F398 R399	A382-D395 HydrophobicContact CB-CB 3.91Å; R385-D395 IonicContact CZ-OD2 2.81Å; R385-D395 IonicContact NE-OD2 3.62Å; R385-D395 PolarHBondContact NE-OD2 2.97Å; R385-D395 VanDerWaalsContact NH2-CG 3.27Å; R385-D395 IonicContact NH2-OD1 3.36Å; R385-D395 PolarHBondContact NH2-OD1 3.46Å; R385-D395 VanDerWaalsContact NH2-OD1 3.13Å; R385-D395 IonicContact NH2-OD2 2.73Å; R385-D395 PolarHBondContact NH2-OD2 3.3Å; L389-D395 HydrophobicContact CD2-CB 3.94Å; L392-D395 PolarHBondContact O-N 3.45Å; D395-F397 VanDerWaalsContact C-N 3.32Å; D395-F397 PolarHBondContact O-N 3.26Å; D395-F397 WeakPolarHBondContact OD1-CB 3.3Å; D395-F397 PolarHBondContact OD1-N 3.49Å; D395-F397 VanDerWaalsContact OD1-N 3.08Å; D395-F398 HydrophobicContact CB-CD2 4.03Å; D395-F398 PolarHBondContact O-N 3.46Å; D395-R399 WeakPolarHBondContact O-CB 3.47Å; D395-R399 PolarHBondContact O-N 3.34Å
396	E	97.9	Very high	97.4	Very high	135 Å²	135	58.5 Å²	58.5	63%	0.631	30%	0.302	S	S	*	.	H	α-helix	trans	-59.8	-40.4	-172.7	-174.4	177.9	-176.3	0	0	112.7	R399 S400	E396-R399 PolarHBondContact O-N 3.16Å; E396-S400 WeakPolarHBondContact O-CB 3.32Å; E396-S400 PolarHBondContact O-N 3.05Å; E396-S400 PolarHBondContact O-OG 3.32Å; E396-S400 VanDerWaalsContact O-OG 3.05Å
397	F	98.1	Very high	97.5	Very high	65 Å²	65	60.7 Å²	60.7	29%	0.285	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-49.6	-178.4	172.8	-92.8	0	0	0	111.1	Y331 R378 D395 S400 A401	Y331-F397 WeakPolarHBondContact OH-CE1 3.41Å; Y331-F397 WeakPolarHBondContact OH-CZ 3.46Å; R378-F397 HydrophobicContact CB-CD1 3.83Å; R378-F397 HydrophobicContact CB-CE1 3.64Å; R378-F397 HydrophobicContact CB-CZ 4.24Å; R378-F397 HydrophobicContact CG-CD1 4.06Å; R378-F397 HydrophobicContact CG-CE1 3.52Å; R378-F397 HydrophobicContact CG-CE2 4.17Å; R378-F397 HydrophobicContact CG-CZ 3.58Å; D395-F397 VanDerWaalsContact C-N 3.32Å; D395-F397 PolarHBondContact O-N 3.26Å; D395-F397 WeakPolarHBondContact OD1-CB 3.3Å; D395-F397 PolarHBondContact OD1-N 3.49Å; D395-F397 VanDerWaalsContact OD1-N 3.08Å; F397-S400 PolarHBondContact O-N 3.5Å; F397-A401 WeakPolarHBondContact O-CB 3.48Å; F397-A401 PolarHBondContact O-N 3.46Å
398	F	98.2	Very high	97.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.5	-37	-178.3	-63.8	-65.7	0	0	0	112.1	I335 F375 R378 I379 A382 L392 D395 A401 V402	I335-F398 HydrophobicContact CD1-CD1 4.4Å; I335-F398 HydrophobicContact CG1-CD1 4.21Å; I335-F398 HydrophobicContact CG2-CB 4.22Å; I335-F398 HydrophobicContact CG2-CD1 4.02Å; I335-F398 HydrophobicContact CG2-CG 4.42Å; F375-F398 HydrophobicContact CD2-CE1 4.32Å; F375-F398 HydrophobicContact CE2-CD1 4.07Å; F375-F398 AromaticContact CE2-CE1 3.47Å; F375-F398 HydrophobicContact CE2-CE1 3.47Å; F375-F398 VanDerWaalsContact CE2-CE1 3.47Å; F375-F398 HydrophobicContact CZ-CD1 4.19Å; F375-F398 AromaticContact CZ-CE1 3.59Å; F375-F398 HydrophobicContact CZ-CE1 3.59Å; R378-F398 HydrophobicContact CB-CE1 4.24Å; R378-F398 HydrophobicContact CB-CZ 3.85Å; I379-F398 HydrophobicContact CB-CZ 4.34Å; I379-F398 HydrophobicContact CG1-CE1 4.24Å; I379-F398 HydrophobicContact CG1-CE2 4.3Å; I379-F398 HydrophobicContact CG1-CZ 3.53Å; A382-F398 HydrophobicContact CB-CE2 3.91Å; L392-F398 HydrophobicContact CB-CD2 4.1Å; L392-F398 HydrophobicContact CB-CE2 4.42Å; L392-F398 HydrophobicContact CD2-CD2 4.35Å; L392-F398 HydrophobicContact CD2-CE2 3.93Å; L392-F398 WeakPolarHBondContact O-CB 3.21Å; L392-F398 VanDerWaalsContact O-CD2 3.3Å; L392-F398 WeakPolarHBondContact O-CD2 3.42Å; D395-F398 HydrophobicContact CB-CD2 4.03Å; D395-F398 PolarHBondContact O-N 3.46Å; F398-A401 PolarHBondContact O-N 3.14Å; F398-V402 VanDerWaalsContact O-CG2 3.29Å; F398-V402 WeakPolarHBondContact O-CG2 3.21Å; F398-V402 PolarHBondContact O-N 2.62Å
399	R	97.6	Very high	97.9	Very high	151 Å²	151	50 Å²	50	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-60.3	-48.8	175.3	-175.7	176.4	60.4	179.8	-4	111.4	D395 E396 V402 D403	D395-R399 WeakPolarHBondContact O-CB 3.47Å; D395-R399 PolarHBondContact O-N 3.34Å; E396-R399 PolarHBondContact O-N 3.16Å; R399-V402 PolarHBondContact O-N 3.49Å; R399-D403 PolarHBondContact O-N 2.88Å
400	S	98.4	Very high	98	Very high	50 Å²	50	52.5 Å²	52.5	35%	0.35	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-43.9	178.2	-61.1	0	0	0	0	111.6	E396 F397 V402 D403 E404	E396-S400 WeakPolarHBondContact O-CB 3.32Å; E396-S400 PolarHBondContact O-N 3.05Å; E396-S400 PolarHBondContact O-OG 3.32Å; E396-S400 VanDerWaalsContact O-OG 3.05Å; F397-S400 PolarHBondContact O-N 3.5Å; S400-V402 VanDerWaalsContact C-N 3.34Å; S400-V402 PolarHBondContact O-N 2.83Å; S400-D403 PolarHBondContact O-N 3.38Å; S400-E404 WeakPolarHBondContact O-CG 3.25Å; S400-E404 PolarHBondContact O-N 3.29Å
401	A	98.4	Very high	98.2	Very high	9 Å²	9	53.8 Å²	53.8	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-43.2	176.4	0	0	0	0	0	113	Y331 I335 F397 F398 C405	Y331-A401 HydrophobicContact CE1-CB 3.72Å; I335-A401 HydrophobicContact CD1-CB 3.8Å; F397-A401 WeakPolarHBondContact O-CB 3.48Å; F397-A401 PolarHBondContact O-N 3.46Å; F398-A401 PolarHBondContact O-N 3.14Å; A401-C405 WeakPolarHBondContact O-CB 3.43Å; A401-C405 PolarHBondContact O-N 2.93Å; A401-C405 PolarHBondContact O-SG 3.07Å
402	V	98.5	Very high	98.3	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-68.7	-39.3	177.6	174	0	0	0	0	111.1	I335 M336 L393 F398 R399 S400 E404 C405 Q406 F433	I335-V402 HydrophobicContact CB-CG2 4.33Å; I335-V402 HydrophobicContact CD1-CG2 3.87Å; I335-V402 HydrophobicContact CG2-CG2 3.98Å; M336-V402 HydrophobicContact CE-CG1 4.28Å; M336-V402 HydrophobicContact CE-CG2 3.61Å; L393-V402 HydrophobicContact CD2-CG2 4.32Å; F398-V402 VanDerWaalsContact O-CG2 3.29Å; F398-V402 WeakPolarHBondContact O-CG2 3.21Å; F398-V402 PolarHBondContact O-N 2.62Å; R399-V402 PolarHBondContact O-N 3.49Å; S400-V402 VanDerWaalsContact C-N 3.34Å; S400-V402 PolarHBondContact O-N 2.83Å; V402-E404 PolarHBondContact O-N 3.06Å; V402-C405 PolarHBondContact O-N 3.35Å; V402-C405 VanDerWaalsContact O-N 3.14Å; V402-Q406 WeakPolarHBondContact O-CB 3.48Å; V402-Q406 PolarHBondContact O-N 3.22Å; V402-F433 HydrophobicContact CG1-CD2 3.97Å; V402-F433 HydrophobicContact CG1-CE1 4.08Å; V402-F433 HydrophobicContact CG1-CE2 3.48Å; V402-F433 VanDerWaalsContact CG1-CE2 3.48Å; V402-F433 HydrophobicContact CG1-CG 4.47Å; V402-F433 HydrophobicContact CG1-CZ 3.53Å
403	D	98.4	Very high	98.3	Very high	103 Å²	103	54.3 Å²	54.3	55%	0.551	26%	0.256	S	S	*	.	H	α-helix	trans	-62	-41.8	176.9	-168.9	47	0	0	0	112.3	R399 S400 C405 Q406	R399-D403 PolarHBondContact O-N 2.88Å; S400-D403 PolarHBondContact O-N 3.38Å; D403-C405 PolarHBondContact O-N 3.13Å; D403-Q406 WeakPolarHBondContact O-CG 3.4Å; D403-Q406 PolarHBondContact OD1-NE2 3.24Å
404	E	98.5	Very high	98.4	Very high	136 Å²	136	56.9 Å²	56.9	64%	0.636	28%	0.275	S	S	*	.	H	α-helix	trans	-66.4	-25.2	175.1	-71.1	177.1	-166.2	0	0	113.5	S400 V402	S400-E404 WeakPolarHBondContact O-CG 3.25Å; S400-E404 PolarHBondContact O-N 3.29Å; V402-E404 PolarHBondContact O-N 3.06Å
405	C	98.7	Very high	98.4	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-98.7	-26.3	-174.8	-67.8	0	0	0	0	114	K328 A332 A401 V402 D403 T407 S408 W409	K328-C405 HydrophobicContact CB-CB 4.11Å; A332-C405 HydrophobicContact CB-CB 3.78Å; A401-C405 WeakPolarHBondContact O-CB 3.43Å; A401-C405 PolarHBondContact O-N 2.93Å; A401-C405 PolarHBondContact O-SG 3.07Å; V402-C405 PolarHBondContact O-N 3.35Å; V402-C405 VanDerWaalsContact O-N 3.14Å; D403-C405 PolarHBondContact O-N 3.13Å; C405-T407 VanDerWaalsContact C-N 3.31Å; C405-T407 PolarHBondContact O-N 3.39Å; C405-T407 VanDerWaalsContact O-N 3.15Å; C405-S408 WeakPolarHBondContact O-CB 3.24Å; C405-S408 PolarHBondContact O-N 3.03Å; C405-W409 WeakPolarHBondContact O-CB 3.48Å; C405-W409 PolarHBondContact O-N 3.02Å
406	Q	98.6	Very high	98.3	Very high	39 Å²	39	51.3 Å²	51.3	18%	0.182	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-36.2	-165.5	59.5	168.1	-40.2	0	0	114.3	V402 D403 W409 R410	V402-Q406 WeakPolarHBondContact O-CB 3.48Å; V402-Q406 PolarHBondContact O-N 3.22Å; D403-Q406 WeakPolarHBondContact O-CG 3.4Å; D403-Q406 PolarHBondContact OD1-NE2 3.24Å; Q406-W409 WeakPolarHBondContact O-CB 3.27Å; Q406-W409 PolarHBondContact O-N 2.68Å; Q406-R410 VanDerWaalsContact O-CG 3.28Å; Q406-R410 WeakPolarHBondContact O-CG 3.21Å; Q406-R410 PolarHBondContact O-N 2.78Å
407	T	98.7	Very high	98.3	Very high	84 Å²	84	49.7 Å²	49.7	52%	0.515	25%	0.252	S	S	.	.	H	α-helix	trans	-65.9	-44.6	176.9	-61.5	0	0	0	0	111.4	C405 W409 R410 R411	C405-T407 VanDerWaalsContact C-N 3.31Å; C405-T407 PolarHBondContact O-N 3.39Å; C405-T407 VanDerWaalsContact O-N 3.15Å; T407-W409 VanDerWaalsContact C-N 3.3Å; T407-W409 PolarHBondContact O-N 2.81Å; T407-R410 PolarHBondContact O-N 3.05Å; T407-R411 WeakPolarHBondContact O-CG 3.42Å; T407-R411 PolarHBondContact O-N 3.11Å; T407-R411 VanDerWaalsContact O-N 3.11Å
408	S	98.8	Very high	98.1	Very high	9 Å²	9	54 Å²	54	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-42.2	176.1	-60.9	0	0	0	0	111.3	H325 K328 C405 R411 V412	H325-S408 WeakPolarHBondContact ND1-CA 3.3Å; H325-S408 WeakPolarHBondContact ND1-CB 3.46Å; H325-S408 PolarHBondContact ND1-OG 3.27Å; K328-S408 WeakPolarHBondContact CD-OG 3.49Å; C405-S408 WeakPolarHBondContact O-CB 3.24Å; C405-S408 PolarHBondContact O-N 3.03Å; S408-R411 WeakPolarHBondContact O-CB 3.5Å; S408-R411 PolarHBondContact O-N 3.34Å; S408-V412 WeakPolarHBondContact O-CG2 3.48Å; S408-V412 PolarHBondContact O-N 3.47Å
409	W	98.7	Very high	98	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-47.8	178.7	-169.8	16.5	0	0	0	112.6	A329 A332 S333 M336 C405 Q406 T407 R411 V412 V413 F426 A429 L430 F433	A329-W409 HydrophobicContact CB-CB 4.22Å; A329-W409 HydrophobicContact CB-CG 4.27Å; A332-W409 HydrophobicContact CB-CD2 3.91Å; A332-W409 HydrophobicContact CB-CE3 3.79Å; A332-W409 HydrophobicContact CB-CG 4.32Å; A332-W409 HydrophobicContact CB-CZ3 4.19Å; S333-W409 PolarHBondContact OG-NE1 3.13Å; M336-W409 HydrophobicContact CG-CH2 3.64Å; M336-W409 HydrophobicContact CG-CZ2 4.34Å; M336-W409 HydrophobicContact SD-CH2 4.47Å; C405-W409 WeakPolarHBondContact O-CB 3.48Å; C405-W409 PolarHBondContact O-N 3.02Å; Q406-W409 WeakPolarHBondContact O-CB 3.27Å; Q406-W409 PolarHBondContact O-N 2.68Å; T407-W409 VanDerWaalsContact C-N 3.3Å; T407-W409 PolarHBondContact O-N 2.81Å; W409-R411 VanDerWaalsContact C-N 3.35Å; W409-R411 PolarHBondContact O-N 3.27Å; W409-V412 PolarHBondContact O-N 2.7Å; W409-V413 WeakPolarHBondContact O-CG2 3.43Å; W409-V413 PolarHBondContact O-N 3.14Å; W409-F426 PolarHBondContact NE1-O 3.46Å; W409-A429 HydrophobicContact CH2-CB 4.11Å; W409-A429 VanDerWaalsContact CH2-O 3.29Å; W409-A429 WeakPolarHBondContact CH2-O 3.32Å; W409-A429 HydrophobicContact CZ2-CB 3.55Å; W409-L430 HydrophobicContact CD2-CB 4.23Å; W409-L430 HydrophobicContact CD2-CD1 3.75Å; W409-L430 HydrophobicContact CD2-CG 4.48Å; W409-L430 HydrophobicContact CE3-CD1 3.56Å; W409-L430 HydrophobicContact CG-CD1 4.39Å; W409-L430 HydrophobicContact CH2-CB 4.08Å; W409-L430 HydrophobicContact CH2-CD1 4.21Å; W409-L430 HydrophobicContact CZ2-CB 3.66Å; W409-L430 HydrophobicContact CZ2-CD1 4.38Å; W409-L430 HydrophobicContact CZ3-CD1 3.79Å; W409-F433 HydrophobicContact CH2-CB 3.84Å; W409-F433 HydrophobicContact CH2-CG 4.49Å; W409-F433 HydrophobicContact CZ3-CB 3.76Å; W409-F433 AromaticContact CZ3-CD1 3.93Å; W409-F433 HydrophobicContact CZ3-CD1 3.93Å; W409-F433 AromaticContact CZ3-CG 3.94Å; W409-F433 HydrophobicContact CZ3-CG 3.94Å
410	R	98.8	Very high	97.9	Very high	70 Å²	70	49 Å²	49	26%	0.264	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-42.6	175.2	-69.7	173.7	-165.5	-65.3	-7.3	112	Q406 T407 V412 V413 S414 L430 D434	Q406-R410 VanDerWaalsContact O-CG 3.28Å; Q406-R410 WeakPolarHBondContact O-CG 3.21Å; Q406-R410 PolarHBondContact O-N 2.78Å; T407-R410 PolarHBondContact O-N 3.05Å; R410-V412 VanDerWaalsContact C-N 3.35Å; R410-V412 PolarHBondContact O-N 3.14Å; R410-V413 PolarHBondContact O-N 2.83Å; R410-S414 VanDerWaalsContact O-CB 3.27Å; R410-S414 WeakPolarHBondContact O-CB 3.24Å; R410-S414 PolarHBondContact O-N 3.23Å; R410-S414 PolarHBondContact O-OG 3.35Å; R410-L430 HydrophobicContact CG-CD1 4.18Å; R410-L430 HydrophobicContact CG-CD2 4.13Å; R410-D434 IonicContact CZ-OD1 3.84Å; R410-D434 IonicContact CZ-OD2 2.71Å; R410-D434 IonicContact NH1-OD1 3.45Å; R410-D434 PolarHBondContact NH1-OD1 3.29Å; R410-D434 IonicContact NH1-OD2 2.62Å; R410-D434 PolarHBondContact NH1-OD2 3.32Å; R410-D434 IonicContact NH2-OD1 2.81Å; R410-D434 PolarHBondContact NH2-OD1 3.45Å; R410-D434 IonicContact NH2-OD2 3.22Å; R410-D434 PolarHBondContact NH2-OD2 3.12Å
411	R	98.6	Very high	97.8	Very high	123 Å²	123	47 Å²	47	46%	0.464	26%	0.255	S	S	.	.	H	α-helix	trans	-57.5	-47	176.7	-74	176.7	-179.2	177	0.8	111.8	H325 T407 S408 W409 S414 A415	H325-R411 PolarHBondContact CE1-NH1 2.89Å; H325-R411 PolarHBondContact NE2-NH1 3.19Å; T407-R411 WeakPolarHBondContact O-CG 3.42Å; T407-R411 PolarHBondContact O-N 3.11Å; T407-R411 VanDerWaalsContact O-N 3.11Å; S408-R411 WeakPolarHBondContact O-CB 3.5Å; S408-R411 PolarHBondContact O-N 3.34Å; W409-R411 VanDerWaalsContact C-N 3.35Å; W409-R411 PolarHBondContact O-N 3.27Å; R411-S414 PolarHBondContact O-N 3.36Å; R411-A415 WeakPolarHBondContact O-CB 3.49Å; R411-A415 PolarHBondContact O-N 3.41Å
412	V	98.7	Very high	97.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-50.2	179.7	170.8	0	0	0	0	111.4	F204 H325 L326 A329 S408 W409 R410 S414 A415 A416 M423 F426	F204-V412 HydrophobicContact CD2-CG1 4.26Å; F204-V412 HydrophobicContact CE2-CG1 4.04Å; F204-V412 HydrophobicContact CZ-CG1 4.48Å; H325-V412 HydrophobicContact CB-CG2 3.84Å; L326-V412 HydrophobicContact CB-CG2 4.3Å; L326-V412 HydrophobicContact CD1-CG1 3.66Å; L326-V412 HydrophobicContact CD1-CG2 4.48Å; A329-V412 HydrophobicContact CB-CB 3.85Å; A329-V412 HydrophobicContact CB-CG1 4.07Å; A329-V412 HydrophobicContact CB-CG2 3.81Å; S408-V412 WeakPolarHBondContact O-CG2 3.48Å; S408-V412 PolarHBondContact O-N 3.47Å; W409-V412 PolarHBondContact O-N 2.7Å; R410-V412 VanDerWaalsContact C-N 3.35Å; R410-V412 PolarHBondContact O-N 3.14Å; V412-S414 VanDerWaalsContact C-N 3.3Å; V412-S414 PolarHBondContact O-N 3.23Å; V412-A415 PolarHBondContact O-N 3.27Å; V412-A416 VanDerWaalsContact O-CB 3.29Å; V412-A416 WeakPolarHBondContact O-CB 3.18Å; V412-A416 PolarHBondContact O-N 2.79Å; V412-M423 HydrophobicContact CG1-CE 4.08Å; V412-M423 HydrophobicContact CG1-SD 4.26Å; V412-F426 HydrophobicContact CG1-CD1 4.39Å; V412-F426 HydrophobicContact CG1-CE1 4.45Å
413	V	98.7	Very high	97.7	Very high	16 Å²	16	50.3 Å²	50.3	10%	0.097	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-42.1	179.9	176.3	0	0	0	0	110.5	W409 R410 A416 V417 F426 L430	W409-V413 WeakPolarHBondContact O-CG2 3.43Å; W409-V413 PolarHBondContact O-N 3.14Å; R410-V413 PolarHBondContact O-N 2.83Å; V413-A416 PolarHBondContact O-N 3.07Å; V413-V417 VanDerWaalsContact O-CG2 3.29Å; V413-V417 WeakPolarHBondContact O-CG2 3.31Å; V413-V417 PolarHBondContact O-N 3.35Å; V413-F426 HydrophobicContact CG2-CB 4.12Å; V413-L430 HydrophobicContact CB-CD2 4.02Å; V413-L430 HydrophobicContact CG1-CD2 4.2Å; V413-L430 HydrophobicContact CG2-CD2 3.94Å
414	S	98.3	Very high	97.7	Very high	69 Å²	69	47 Å²	47	48%	0.483	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-46.1	179.6	-53.8	0	0	0	0	111.5	R410 R411 V412 A416 V417 M418	R410-S414 VanDerWaalsContact O-CB 3.27Å; R410-S414 WeakPolarHBondContact O-CB 3.24Å; R410-S414 PolarHBondContact O-N 3.23Å; R410-S414 PolarHBondContact O-OG 3.35Å; R411-S414 PolarHBondContact O-N 3.36Å; V412-S414 VanDerWaalsContact C-N 3.3Å; V412-S414 PolarHBondContact O-N 3.23Å; S414-A416 VanDerWaalsContact C-N 3.33Å; S414-A416 PolarHBondContact O-N 3.22Å; S414-V417 PolarHBondContact O-N 2.96Å; S414-M418 VanDerWaalsContact O-CG 3.3Å; S414-M418 WeakPolarHBondContact O-CG 3.42Å; S414-M418 PolarHBondContact O-N 3.03Å
415	A	97.3	Very high	97.7	Very high	12 Å²	12	40.6 Å²	40.6	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-41.1	177.5	0	0	0	0	0	111.6	F204 M312 Y322 R411 V412 M418 A419	F204-A415 HydrophobicContact CE2-CB 4.34Å; F204-A415 HydrophobicContact CZ-CB 4.23Å; M312-A415 HydrophobicContact SD-CB 3.83Å; Y322-A415 HydrophobicContact CE1-CB 3.69Å; R411-A415 WeakPolarHBondContact O-CB 3.49Å; R411-A415 PolarHBondContact O-N 3.41Å; V412-A415 PolarHBondContact O-N 3.27Å; A415-M418 PolarHBondContact O-N 3.33Å; A415-A419 WeakPolarHBondContact O-CB 3.3Å; A415-A419 PolarHBondContact O-N 2.87Å
416	A	97.3	Very high	97.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-46.4	176.4	0	0	0	0	0	112	F204 V412 V413 S414 A419 G420 L421 M423	F204-A416 HydrophobicContact CD2-CB 4.15Å; F204-A416 HydrophobicContact CE2-CB 4.05Å; V412-A416 VanDerWaalsContact O-CB 3.29Å; V412-A416 WeakPolarHBondContact O-CB 3.18Å; V412-A416 PolarHBondContact O-N 2.79Å; V413-A416 PolarHBondContact O-N 3.07Å; S414-A416 VanDerWaalsContact C-N 3.33Å; S414-A416 PolarHBondContact O-N 3.22Å; A416-A419 CarbonylContact O-C 3.58Å; A416-A419 PolarHBondContact O-N 3.25Å; A416-G420 PolarHBondContact O-N 3.09Å; A416-L421 HydrophobicContact CB-CB 3.98Å; A416-L421 PolarHBondContact O-N 2.84Å; A416-M423 HydrophobicContact CB-CB 4.48Å; A416-M423 HydrophobicContact CB-CG 3.91Å; A416-M423 HydrophobicContact CB-SD 3.28Å; A416-M423 WeakPolarHBondContact CB-SD 3.33Å
417	V	96.6	Very high	97.8	Very high	100 Å²	100	40.5 Å²	40.5	61%	0.606	23%	0.233	S	C	*	.	H	α-helix	trans	-60.1	-48.1	176.2	170.6	0	0	0	0	110.9	V413 S414 A419 G420	V413-V417 VanDerWaalsContact O-CG2 3.29Å; V413-V417 WeakPolarHBondContact O-CG2 3.31Å; V413-V417 PolarHBondContact O-N 3.35Å; S414-V417 PolarHBondContact O-N 2.96Å; V417-A419 VanDerWaalsContact C-N 3.25Å; V417-A419 PolarHBondContact O-N 3.37Å; V417-G420 PolarHBondContact O-N 3.19Å; V417-G420 VanDerWaalsContact O-N 3.09Å
418	M	95.3	Very high	97.8	Very high	156 Å²	156	37.2 Å²	37.2	77%	0.768	21%	0.213	S	C	*	.	H	α-helix	trans	-64.4	-31	179	-68.2	-56.8	-62.4	0	0	113	S414 A415	S414-M418 VanDerWaalsContact O-CG 3.3Å; S414-M418 WeakPolarHBondContact O-CG 3.42Å; S414-M418 PolarHBondContact O-N 3.03Å; A415-M418 PolarHBondContact O-N 3.33Å
419	A	95.1	Very high	97.8	Very high	6 Å²	6	36.8 Å²	36.8	5%	0.05	21%	0.211	C	C	.	.	H	α-helix	trans	-83.8	-7.4	176.5	0	0	0	0	0	113.3	V309 K310 M312 A415 A416 V417 L421	V309-A419 CarbonylContact C-O 3.55Å; V309-A419 VanDerWaalsContact CA-O 3.24Å; V309-A419 WeakPolarHBondContact CA-O 3.4Å; K310-A419 PolarHBondContact N-O 2.98Å; M312-A419 HydrophobicContact CG-CB 4.07Å; M312-A419 HydrophobicContact SD-CB 4.45Å; A415-A419 WeakPolarHBondContact O-CB 3.3Å; A415-A419 PolarHBondContact O-N 2.87Å; A416-A419 CarbonylContact O-C 3.58Å; A416-A419 PolarHBondContact O-N 3.25Å; V417-A419 VanDerWaalsContact C-N 3.25Å; V417-A419 PolarHBondContact O-N 3.37Å; A419-L421 VanDerWaalsContact C-N 3.31Å; A419-L421 HydrophobicContact CB-CD1 4.17Å; A419-L421 HydrophobicContact CB-CG 4.27Å
420	G	95.3	Very high	97.8	Very high	40 Å²	40	37.5 Å²	37.5	41%	0.412	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	20.6	-174.8	0	0	0	0	0	114.4	V309 A416 V417 P422	V309-G420 WeakPolarHBondContact CG2-O 3.22Å; A416-G420 PolarHBondContact O-N 3.09Å; V417-G420 PolarHBondContact O-N 3.19Å; V417-G420 VanDerWaalsContact O-N 3.09Å; G420-P422 WeakPolarHBondContact O-CD 3.35Å
421	L	96.1	Very high	97.8	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.042	23%	0.227	C	C	.	.			trans	-80.1	119.6	175.9	-75.7	165.9	0	0	0	110.6	F204 D207 V309 A416 A419 M423	F204-L421 HydrophobicContact CB-CD1 4.47Å; F204-L421 HydrophobicContact CD2-CD1 3.7Å; F204-L421 HydrophobicContact CE2-CD1 4.22Å; F204-L421 HydrophobicContact CG-CD1 4.22Å; D207-L421 HydrophobicContact CB-CD2 4.23Å; V309-L421 HydrophobicContact CB-CD2 4.37Å; V309-L421 HydrophobicContact CG1-CD2 3.4Å; V309-L421 VanDerWaalsContact CG1-CD2 3.4Å; V309-L421 HydrophobicContact CG1-CG 3.84Å; V309-L421 HydrophobicContact CG2-CD2 3.99Å; A416-L421 HydrophobicContact CB-CB 3.98Å; A416-L421 PolarHBondContact O-N 2.84Å; A419-L421 VanDerWaalsContact C-N 3.31Å; A419-L421 HydrophobicContact CB-CD1 4.17Å; A419-L421 HydrophobicContact CB-CG 4.27Å; L421-M423 PolarHBondContact O-N 2.98Å; L421-M423 VanDerWaalsContact O-N 3.17Å
422	P	97	Very high	97.8	Very high	75 Å²	75	32.3 Å²	32.3	49%	0.487	21%	0.209	S	C	.	.			trans	-71.2	113.1	175.6	28.8	-33.2	0	0	0	110	G420 P424	G420-P422 WeakPolarHBondContact O-CD 3.35Å; P422-P424 VanDerWaalsContact C-CD 3.46Å
423	M	98.3	Very high	97.8	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.034	22%	0.215	C	C	.	.			trans	-127.9	63.5	176.1	-65.7	-170.6	80.9	0	0	111.5	E200 F204 L326 V412 A416 L421 A425 F426 S427	E200-M423 HydrophobicContact CB-CE 3.84Å; E200-M423 HydrophobicContact CB-CG 4.29Å; E200-M423 VanDerWaalsContact CD-CA 3.47Å; E200-M423 HydrophobicContact CG-CB 4.46Å; E200-M423 HydrophobicContact CG-CG 4.43Å; E200-M423 WeakPolarHBondContact OE2-CA 3.4Å; E200-M423 WeakPolarHBondContact OE2-CB 3.45Å; F204-M423 HydrophobicContact CD2-CE 4.47Å; F204-M423 HydrophobicContact CD2-SD 3.73Å; F204-M423 HydrophobicContact CE2-SD 4.48Å; L326-M423 HydrophobicContact CD1-CE 4.25Å; V412-M423 HydrophobicContact CG1-CE 4.08Å; V412-M423 HydrophobicContact CG1-SD 4.26Å; A416-M423 HydrophobicContact CB-CB 4.48Å; A416-M423 HydrophobicContact CB-CG 3.91Å; A416-M423 HydrophobicContact CB-SD 3.28Å; A416-M423 WeakPolarHBondContact CB-SD 3.33Å; L421-M423 PolarHBondContact O-N 2.98Å; L421-M423 VanDerWaalsContact O-N 3.17Å; M423-A425 PolarHBondContact O-N 2.92Å; M423-F426 HydrophobicContact CB-CB 4.27Å; M423-F426 HydrophobicContact CE-CB 4.11Å; M423-F426 HydrophobicContact CE-CD1 3.84Å; M423-F426 HydrophobicContact CE-CD2 3.45Å; M423-F426 VanDerWaalsContact CE-CD2 3.45Å; M423-F426 HydrophobicContact CE-CE1 3.99Å; M423-F426 HydrophobicContact CE-CE2 3.62Å; M423-F426 HydrophobicContact CE-CG 3.55Å; M423-F426 HydrophobicContact CE-CZ 3.89Å; M423-S427 VanDerWaalsContact O-CB 3.24Å; M423-S427 WeakPolarHBondContact O-CB 3.44Å; M423-S427 PolarHBondContact O-N 3.42Å; M423-S427 PolarHBondContact O-OG 3.35Å
424	P	98.7	Very high	97.8	Very high	34 Å²	34	35 Å²	35	22%	0.221	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-42.1	-174.4	25.2	-35.1	0	0	0	112.6	E200 E283 A287 P422 S427 S428	E200-P424 WeakPolarHBondContact OE1-CD 3.48Å; E200-P424 WeakPolarHBondContact OE1-CG 3.27Å; E283-P424 HydrophobicContact CB-CB 4.18Å; E283-P424 HydrophobicContact CG-CB 4.34Å; A287-P424 HydrophobicContact CB-CG 4.41Å; P422-P424 VanDerWaalsContact C-CD 3.46Å; P424-S427 PolarHBondContact O-N 3.48Å; P424-S428 VanDerWaalsContact O-CB 3.29Å; P424-S428 WeakPolarHBondContact O-CB 3.47Å; P424-S428 PolarHBondContact O-N 3.23Å; P424-S428 PolarHBondContact O-OG 3.27Å
425	A	98.8	Very high	97.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.3	-44.1	-178	0	0	0	0	0	112.6	Q196 L197 E200 L280 M423 S427 S428 A429	Q196-A425 HydrophobicContact CB-CB 4.44Å; Q196-A425 HydrophobicContact CG-CB 3.82Å; L197-A425 HydrophobicContact CD2-CB 3.62Å; L197-A425 HydrophobicContact CG-CB 4.16Å; E200-A425 VanDerWaalsContact OE1-CB 3.24Å; E200-A425 WeakPolarHBondContact OE1-CB 3.45Å; E200-A425 PolarHBondContact OE1-N 3.07Å; E200-A425 PolarHBondContact OE2-N 2.89Å; L280-A425 HydrophobicContact CD1-CB 4.36Å; L280-A425 HydrophobicContact CG-CB 4.04Å; M423-A425 PolarHBondContact O-N 2.92Å; A425-S427 VanDerWaalsContact C-N 3.34Å; A425-S427 PolarHBondContact O-N 2.97Å; A425-S428 PolarHBondContact O-OG 2.86Å; A425-S428 VanDerWaalsContact O-OG 3.13Å; A425-A429 WeakPolarHBondContact O-CB 3.36Å; A425-A429 PolarHBondContact O-N 3.3Å; A425-A429 VanDerWaalsContact O-N 3.07Å
426	F	98.9	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-42.4	175.3	-80.6	-114.5	0	0	0	111.3	L197 E200 A201 L326 A329 L330 W409 V412 V413 M423 L430	L197-F426 HydrophobicContact CB-CE2 4.16Å; L197-F426 HydrophobicContact CD2-CD2 3.41Å; L197-F426 VanDerWaalsContact CD2-CD2 3.41Å; L197-F426 HydrophobicContact CD2-CE2 3.64Å; L197-F426 HydrophobicContact CD2-CG 4.12Å; L197-F426 HydrophobicContact CD2-CZ 4.47Å; L197-F426 WeakPolarHBondContact O-CE2 3.29Å; E200-F426 HydrophobicContact CB-CD2 3.85Å; E200-F426 HydrophobicContact CB-CE2 3.74Å; E200-F426 WeakPolarHBondContact OE2-CD2 3.06Å; E200-F426 PolarHBondContact OE2-N 3.36Å; E200-F426 VanDerWaalsContact OE2-N 3.1Å; A201-F426 HydrophobicContact CB-CZ 4.4Å; L326-F426 HydrophobicContact CD1-CE1 4.06Å; L326-F426 HydrophobicContact CD1-CZ 4.07Å; A329-F426 HydrophobicContact CB-CD1 3.85Å; A329-F426 HydrophobicContact CB-CE1 3.55Å; L330-F426 HydrophobicContact CB-CE1 4.19Å; L330-F426 HydrophobicContact CB-CZ 3.84Å; L330-F426 HydrophobicContact CD1-CE2 4.47Å; L330-F426 HydrophobicContact CD1-CZ 4.1Å; L330-F426 VanDerWaalsContact N-CE1 3.29Å; W409-F426 PolarHBondContact NE1-O 3.46Å; V412-F426 HydrophobicContact CG1-CD1 4.39Å; V412-F426 HydrophobicContact CG1-CE1 4.45Å; V413-F426 HydrophobicContact CG2-CB 4.12Å; M423-F426 HydrophobicContact CB-CB 4.27Å; M423-F426 HydrophobicContact CE-CB 4.11Å; M423-F426 HydrophobicContact CE-CD1 3.84Å; M423-F426 HydrophobicContact CE-CD2 3.45Å; M423-F426 VanDerWaalsContact CE-CD2 3.45Å; M423-F426 HydrophobicContact CE-CE1 3.99Å; M423-F426 HydrophobicContact CE-CE2 3.62Å; M423-F426 HydrophobicContact CE-CG 3.55Å; M423-F426 HydrophobicContact CE-CZ 3.89Å; F426-L430 PolarHBondContact O-N 3.41Å; F426-L430 VanDerWaalsContact O-N 3.07Å
427	S	98.8	Very high	97.8	Very high	41 Å²	41	42.3 Å²	42.3	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-66.5	-45.8	-178.3	-57	0	0	0	0	111.5	M423 P424 A425 A429 L430 A431	M423-S427 VanDerWaalsContact O-CB 3.24Å; M423-S427 WeakPolarHBondContact O-CB 3.44Å; M423-S427 PolarHBondContact O-N 3.42Å; M423-S427 PolarHBondContact O-OG 3.35Å; P424-S427 PolarHBondContact O-N 3.48Å; A425-S427 VanDerWaalsContact C-N 3.34Å; A425-S427 PolarHBondContact O-N 2.97Å; S427-A429 VanDerWaalsContact C-N 3.34Å; S427-A429 PolarHBondContact O-N 3Å; S427-L430 PolarHBondContact O-N 3.17Å; S427-A431 WeakPolarHBondContact O-CB 3.46Å; S427-A431 PolarHBondContact O-N 3.32Å
428	S	98.8	Very high	97.9	Very high	14 Å²	14	40.2 Å²	40.2	10%	0.098	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-33.3	179.8	64.6	0	0	0	0	112.8	S279 L280 P424 A425 F432	S279-S428 PolarHBondContact OG-O 3.42Å; L280-S428 WeakPolarHBondContact CA-OG 3.41Å; P424-S428 VanDerWaalsContact O-CB 3.29Å; P424-S428 WeakPolarHBondContact O-CB 3.47Å; P424-S428 PolarHBondContact O-N 3.23Å; P424-S428 PolarHBondContact O-OG 3.27Å; A425-S428 PolarHBondContact O-OG 2.86Å; A425-S428 VanDerWaalsContact O-OG 3.13Å; S428-F432 VanDerWaalsContact O-CB 3.32Å; S428-F432 WeakPolarHBondContact O-CB 3.35Å; S428-F432 PolarHBondContact O-N 3.35Å
429	A	98.9	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-40.7	173.3	0	0	0	0	0	111.5	L280 M336 W409 A425 S427 F432 F433	L280-A429 HydrophobicContact CD1-CB 3.69Å; M336-A429 HydrophobicContact CB-CB 3.71Å; M336-A429 HydrophobicContact CG-CB 3.86Å; W409-A429 HydrophobicContact CH2-CB 4.11Å; W409-A429 VanDerWaalsContact CH2-O 3.29Å; W409-A429 WeakPolarHBondContact CH2-O 3.32Å; W409-A429 HydrophobicContact CZ2-CB 3.55Å; A425-A429 WeakPolarHBondContact O-CB 3.36Å; A425-A429 PolarHBondContact O-N 3.3Å; A425-A429 VanDerWaalsContact O-N 3.07Å; S427-A429 VanDerWaalsContact C-N 3.34Å; S427-A429 PolarHBondContact O-N 3Å; A429-F432 PolarHBondContact O-N 3.3Å; A429-F433 PolarHBondContact O-N 2.82Å
430	L	98.9	Very high	98.1	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-43.8	177.9	-178.5	60.7	0	0	0	110.8	W409 R410 V413 F426 S427 F432 F433 D434	W409-L430 HydrophobicContact CD2-CB 4.23Å; W409-L430 HydrophobicContact CD2-CD1 3.75Å; W409-L430 HydrophobicContact CD2-CG 4.48Å; W409-L430 HydrophobicContact CE3-CD1 3.56Å; W409-L430 HydrophobicContact CG-CD1 4.39Å; W409-L430 HydrophobicContact CH2-CB 4.08Å; W409-L430 HydrophobicContact CH2-CD1 4.21Å; W409-L430 HydrophobicContact CZ2-CB 3.66Å; W409-L430 HydrophobicContact CZ2-CD1 4.38Å; W409-L430 HydrophobicContact CZ3-CD1 3.79Å; R410-L430 HydrophobicContact CG-CD1 4.18Å; R410-L430 HydrophobicContact CG-CD2 4.13Å; V413-L430 HydrophobicContact CB-CD2 4.02Å; V413-L430 HydrophobicContact CG1-CD2 4.2Å; V413-L430 HydrophobicContact CG2-CD2 3.94Å; F426-L430 PolarHBondContact O-N 3.41Å; F426-L430 VanDerWaalsContact O-N 3.07Å; S427-L430 PolarHBondContact O-N 3.17Å; L430-F432 VanDerWaalsContact C-N 3.34Å; L430-F432 PolarHBondContact O-N 3.43Å; L430-F433 PolarHBondContact O-N 3.38Å; L430-D434 PolarHBondContact O-N 3.37Å
431	A	98.7	Very high	98.2	Very high	64 Å²	64	46.8 Å²	46.8	53%	0.529	27%	0.268	S	S	.	.	H	α-helix	trans	-61	-41.8	174.8	0	0	0	0	0	111.9	S427 G435	S427-A431 WeakPolarHBondContact O-CB 3.46Å; S427-A431 PolarHBondContact O-N 3.32Å; A431-G435 PolarHBondContact O-N 3.27Å
432	F	98.7	Very high	98.3	Very high	20 Å²	20	51.3 Å²	51.3	9%	0.088	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-47.4	173.6	171.4	-96.8	0	0	0	111.6	P277 M336 Q340 M343 L393 S428 A429 L430 D434 G435 F436	P277-F432 HydrophobicContact CB-CD2 4.43Å; P277-F432 HydrophobicContact CB-CE2 4.31Å; P277-F432 HydrophobicContact CG-CD2 4.48Å; P277-F432 HydrophobicContact CG-CE2 3.89Å; M336-F432 HydrophobicContact CB-CD1 4.37Å; M336-F432 HydrophobicContact CG-CD1 4.37Å; M336-F432 HydrophobicContact SD-CD1 3.82Å; M336-F432 HydrophobicContact SD-CE1 4.09Å; Q340-F432 HydrophobicContact CG-CD1 4.19Å; Q340-F432 HydrophobicContact CG-CD2 4.28Å; Q340-F432 HydrophobicContact CG-CE1 3.93Å; Q340-F432 HydrophobicContact CG-CE2 4.02Å; Q340-F432 HydrophobicContact CG-CG 4.37Å; Q340-F432 HydrophobicContact CG-CZ 3.84Å; M343-F432 HydrophobicContact SD-CZ 3.94Å; L393-F432 HydrophobicContact CD1-CE1 4.38Å; S428-F432 VanDerWaalsContact O-CB 3.32Å; S428-F432 WeakPolarHBondContact O-CB 3.35Å; S428-F432 PolarHBondContact O-N 3.35Å; A429-F432 PolarHBondContact O-N 3.3Å; L430-F432 VanDerWaalsContact C-N 3.34Å; L430-F432 PolarHBondContact O-N 3.43Å; F432-D434 PolarHBondContact O-N 2.93Å; F432-G435 PolarHBondContact O-N 3.42Å; F432-F436 HydrophobicContact CE1-CB 4.36Å; F432-F436 HydrophobicContact CE1-CG 4.46Å; F432-F436 HydrophobicContact CE2-CD2 4.33Å; F432-F436 HydrophobicContact CZ-CB 4.28Å; F432-F436 AromaticContact CZ-CD2 3.96Å; F432-F436 HydrophobicContact CZ-CD2 3.96Å; F432-F436 HydrophobicContact CZ-CG 4.18Å; F432-F436 WeakPolarHBondContact O-CB 3.14Å; F432-F436 PolarHBondContact O-N 2.86Å
433	F	98.7	Very high	98.4	Very high	28 Å²	28	50.1 Å²	50.1	12%	0.123	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-47.7	179	174.3	-113.2	0	0	0	112	M336 L393 V402 W409 A429 L430 F436 R437	M336-F433 HydrophobicContact CE-CB 4.5Å; M336-F433 HydrophobicContact CE-CD2 4.09Å; M336-F433 HydrophobicContact SD-CB 3.84Å; M336-F433 HydrophobicContact SD-CD2 4.21Å; M336-F433 HydrophobicContact SD-CG 4.44Å; L393-F433 HydrophobicContact CD1-CD2 4.47Å; V402-F433 HydrophobicContact CG1-CD2 3.97Å; V402-F433 HydrophobicContact CG1-CE1 4.08Å; V402-F433 HydrophobicContact CG1-CE2 3.48Å; V402-F433 VanDerWaalsContact CG1-CE2 3.48Å; V402-F433 HydrophobicContact CG1-CG 4.47Å; V402-F433 HydrophobicContact CG1-CZ 3.53Å; W409-F433 HydrophobicContact CH2-CB 3.84Å; W409-F433 HydrophobicContact CH2-CG 4.49Å; W409-F433 HydrophobicContact CZ3-CB 3.76Å; W409-F433 AromaticContact CZ3-CD1 3.93Å; W409-F433 HydrophobicContact CZ3-CD1 3.93Å; W409-F433 AromaticContact CZ3-CG 3.94Å; W409-F433 HydrophobicContact CZ3-CG 3.94Å; A429-F433 PolarHBondContact O-N 2.82Å; L430-F433 PolarHBondContact O-N 3.38Å; F433-F436 PolarHBondContact O-N 3.13Å; F433-R437 WeakPolarHBondContact O-CG 3.49Å; F433-R437 PolarHBondContact O-N 3.32Å; F433-R437 VanDerWaalsContact O-N 3.12Å
434	D	98.7	Very high	98.4	Very high	44 Å²	44	55.5 Å²	55.5	24%	0.235	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-37.8	178.2	-78.2	-30.4	0	0	0	112.5	R410 L430 F432 R437 C438	R410-D434 IonicContact CZ-OD1 3.84Å; R410-D434 IonicContact CZ-OD2 2.71Å; R410-D434 IonicContact NH1-OD1 3.45Å; R410-D434 PolarHBondContact NH1-OD1 3.29Å; R410-D434 IonicContact NH1-OD2 2.62Å; R410-D434 PolarHBondContact NH1-OD2 3.32Å; R410-D434 IonicContact NH2-OD1 2.81Å; R410-D434 PolarHBondContact NH2-OD1 3.45Å; R410-D434 IonicContact NH2-OD2 3.22Å; R410-D434 PolarHBondContact NH2-OD2 3.12Å; L430-D434 PolarHBondContact O-N 3.37Å; F432-D434 PolarHBondContact O-N 2.93Å; D434-R437 IonicContact OD1-CZ 3.27Å; D434-R437 IonicContact OD1-NE 2.78Å; D434-R437 PolarHBondContact OD1-NE 3.33Å; D434-R437 IonicContact OD1-NH2 3.72Å; D434-R437 PolarHBondContact OD1-NH2 2.89Å; D434-C438 WeakPolarHBondContact O-CB 3.28Å; D434-C438 PolarHBondContact O-N 2.94Å
435	G	98.4	Very high	98.3	Very high	23 Å²	23	59 Å²	59	24%	0.237	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-45.5	174.3	0	0	0	0	0	112.4	A431 F432 R437 C438	A431-G435 PolarHBondContact O-N 3.27Å; F432-G435 PolarHBondContact O-N 3.42Å; G435-R437 VanDerWaalsContact C-N 3.33Å; G435-R437 PolarHBondContact O-N 2.9Å; G435-C438 PolarHBondContact O-N 3.45Å
436	F	97.8	Very high	98.3	Very high	75 Å²	75	63.5 Å²	63.5	33%	0.329	36%	0.363	S	S	.	.	H	α-helix	trans	-65.9	-32.9	-176.5	-172.2	-102.1	0	0	0	112.9	M343 L393 F394 F432 F433	M343-F436 HydrophobicContact CE-CE2 4.38Å; L393-F436 HydrophobicContact CB-CE1 4.4Å; L393-F436 HydrophobicContact CD1-CD1 3.83Å; L393-F436 HydrophobicContact CD1-CE1 4.06Å; F394-F436 HydrophobicContact CD1-CE1 4.49Å; F394-F436 AromaticContact CE1-CE1 3.67Å; F394-F436 HydrophobicContact CE1-CE1 3.67Å; F394-F436 AromaticContact CE1-CZ 3.92Å; F394-F436 HydrophobicContact CE1-CZ 3.92Å; F394-F436 HydrophobicContact CZ-CE1 4.27Å; F394-F436 HydrophobicContact CZ-CZ 4.06Å; F432-F436 HydrophobicContact CE1-CB 4.36Å; F432-F436 HydrophobicContact CE1-CG 4.46Å; F432-F436 HydrophobicContact CE2-CD2 4.33Å; F432-F436 HydrophobicContact CZ-CB 4.28Å; F432-F436 AromaticContact CZ-CD2 3.96Å; F432-F436 HydrophobicContact CZ-CD2 3.96Å; F432-F436 HydrophobicContact CZ-CG 4.18Å; F432-F436 WeakPolarHBondContact O-CB 3.14Å; F432-F436 PolarHBondContact O-N 2.86Å; F433-F436 PolarHBondContact O-N 3.13Å
437	R	97.4	Very high	98.2	Very high	139 Å²	139	66.8 Å²	66.8	53%	0.525	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.9	177.4	76.1	-168.5	-178.2	94.6	4.5	114.2	F433 D434 G435 P439	F433-R437 WeakPolarHBondContact O-CG 3.49Å; F433-R437 PolarHBondContact O-N 3.32Å; F433-R437 VanDerWaalsContact O-N 3.12Å; D434-R437 IonicContact OD1-CZ 3.27Å; D434-R437 IonicContact OD1-NE 2.78Å; D434-R437 PolarHBondContact OD1-NE 3.33Å; D434-R437 IonicContact OD1-NH2 3.72Å; D434-R437 PolarHBondContact OD1-NH2 2.89Å; G435-R437 VanDerWaalsContact C-N 3.33Å; G435-R437 PolarHBondContact O-N 2.9Å; R437-P439 WeakPolarHBondContact O-CD 3.49Å
438	C	98.1	Very high	98.2	Very high	55 Å²	55	66 Å²	66	37%	0.372	37%	0.374	S	S	.	.			trans	-90	113.8	-177.8	-168.7	0	0	0	0	110.3	D434 G435 N440 L441	D434-C438 WeakPolarHBondContact O-CB 3.28Å; D434-C438 PolarHBondContact O-N 2.94Å; G435-C438 PolarHBondContact O-N 3.45Å; C438-N440 PolarHBondContact O-N 3.25Å; C438-N440 PolarHBondContact SG-O 3.13Å; C438-L441 HydrophobicContact CB-CD2 3.85Å; C438-L441 HydrophobicContact CB-CG 4.34Å
439	P	97.2	Very high	98.1	Very high	119 Å²	119	70 Å²	70	77%	0.773	39%	0.394	S	S	*	.	S	Bend	trans	-67.5	-25.4	-178.9	26.5	-34.5	0	0	0	113.1	R437	R437-P439 WeakPolarHBondContact O-CD 3.49Å
440	N	97.5	Very high	98	Very high	131 Å²	131	73.7 Å²	73.7	70%	0.701	41%	0.408	S	S	*	.	S	Bend	trans	-131	95.3	-178.1	-64.1	-57.8	0	0	0	110	C438	C438-N440 PolarHBondContact O-N 3.25Å; C438-N440 PolarHBondContact SG-O 3.13Å
441	L	98.4	Very high	97.8	Very high	91 Å²	91	73 Å²	73	48%	0.476	41%	0.405	S	S	.	.			trans	-80.4	161.2	174.3	-73.6	173.3	0	0	0	111.5	C438 A443 N444	C438-L441 HydrophobicContact CB-CD2 3.85Å; C438-L441 HydrophobicContact CB-CG 4.34Å; L441-A443 PolarHBondContact O-N 3.28Å; L441-N444 PolarHBondContact O-OD1 3.47Å
442	P	98.5	Very high	97.6	Very high	102 Å²	102	72.1 Å²	72.1	66%	0.662	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	10.8	176.5	30.6	-37.3	0	0	0	114.2	N444 L445	P442-N444 VanDerWaalsContact C-OD1 3.27Å; P442-N444 WeakPolarHBondContact CA-OD1 3.36Å; P442-N444 PolarHBondContact O-N 2.85Å; P442-N444 PolarHBondContact O-OD1 3.4Å; P442-L445 PolarHBondContact O-N 3.49Å; P442-L445 VanDerWaalsContact O-N 3.15Å
443	A	97.9	Very high	97.3	Very high	50 Å²	50	78.6 Å²	78.6	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-65	-17.4	178.4	0	0	0	0	0	113	L441 L445 L446 Q447	L441-A443 PolarHBondContact O-N 3.28Å; A443-L445 VanDerWaalsContact C-N 3.35Å; A443-L446 WeakPolarHBondContact O-CB 3.31Å; A443-L446 PolarHBondContact O-N 3.11Å; A443-Q447 WeakPolarHBondContact O-CG 3.49Å; A443-Q447 PolarHBondContact O-N 2.82Å
444	N	97.7	Very high	97	Very high	120 Å²	120	78.4 Å²	78.4	64%	0.642	43%	0.431	S	S	*	.	H	α-helix	trans	-60.7	-41.6	170.5	64.6	-45.9	0	0	0	112.1	L441 P442 L446 Q447 A448	L441-N444 PolarHBondContact O-OD1 3.47Å; P442-N444 VanDerWaalsContact C-OD1 3.27Å; P442-N444 WeakPolarHBondContact CA-OD1 3.36Å; P442-N444 PolarHBondContact O-N 2.85Å; P442-N444 PolarHBondContact O-OD1 3.4Å; N444-L446 VanDerWaalsContact C-N 3.33Å; N444-Q447 PolarHBondContact O-N 3Å; N444-A448 PolarHBondContact O-N 2.69Å
445	L	98.5	Very high	96.8	Very high	107 Å²	107	77.1 Å²	77.1	56%	0.56	43%	0.427	S	S	*	.	H	α-helix	trans	-67.4	-37.2	174.3	179.5	60.4	0	0	0	111	P442 A443 Q447 A448 L449	P442-L445 PolarHBondContact O-N 3.49Å; P442-L445 VanDerWaalsContact O-N 3.15Å; A443-L445 VanDerWaalsContact C-N 3.35Å; L445-Q447 VanDerWaalsContact C-N 3.35Å; L445-Q447 PolarHBondContact O-N 3.39Å; L445-A448 PolarHBondContact O-N 2.72Å; L445-L449 HydrophobicContact CD1-CG 4.25Å; L445-L449 HydrophobicContact CG-CD1 4.2Å; L445-L449 HydrophobicContact CG-CG 4.39Å; L445-L449 WeakPolarHBondContact O-CB 3.47Å; L445-L449 VanDerWaalsContact O-CG 3.3Å; L445-L449 WeakPolarHBondContact O-CG 3.47Å; L445-L449 PolarHBondContact O-N 3.31Å
446	L	98.3	Very high	96.5	Very high	95 Å²	95	78.7 Å²	78.7	50%	0.497	43%	0.428	S	S	.	.	H	α-helix	trans	-59	-46.1	174.6	-173.2	159.5	0	0	0	111	A443 N444 L449 R450	A443-L446 WeakPolarHBondContact O-CB 3.31Å; A443-L446 PolarHBondContact O-N 3.11Å; N444-L446 VanDerWaalsContact C-N 3.33Å; L446-L449 PolarHBondContact O-N 2.85Å; L446-R450 HydrophobicContact CD2-CG 4.21Å; L446-R450 WeakPolarHBondContact O-CG 3.46Å; L446-R450 PolarHBondContact O-N 3.26Å
447	Q	97.1	Very high	96.4	Very high	70 Å²	70	75.9 Å²	75.9	33%	0.327	42%	0.417	S	S	.	.	H	α-helix	trans	-64.2	-43.2	175.5	-66.6	-63.1	-7	0	0	112.2	A443 N444 L445 L449 R450 D451	A443-Q447 WeakPolarHBondContact O-CG 3.49Å; A443-Q447 PolarHBondContact O-N 2.82Å; N444-Q447 PolarHBondContact O-N 3Å; L445-Q447 VanDerWaalsContact C-N 3.35Å; L445-Q447 PolarHBondContact O-N 3.39Å; Q447-L449 VanDerWaalsContact C-N 3.33Å; Q447-L449 PolarHBondContact O-N 2.78Å; Q447-R450 PolarHBondContact O-N 2.58Å; Q447-D451 PolarHBondContact O-N 2.83Å
448	A	97.4	Very high	96.3	Very high	23 Å²	23	71.5 Å²	71.5	19%	0.19	40%	0.401	C	S	.	.	H	α-helix	trans	-59.4	-43	176.5	0	0	0	0	0	112.1	N444 L445 D451 A452 W472	N444-A448 PolarHBondContact O-N 2.69Å; L445-A448 PolarHBondContact O-N 2.72Å; A448-D451 PolarHBondContact O-N 2.79Å; A448-A452 VanDerWaalsContact O-CB 3.26Å; A448-A452 WeakPolarHBondContact O-CB 3.43Å; A448-A452 PolarHBondContact O-N 3.01Å; A448-W472 HydrophobicContact CB-CH2 3.77Å; A448-W472 HydrophobicContact CB-CZ2 4.06Å
449	L	97.4	Very high	96.3	Very high	98 Å²	98	72.6 Å²	72.6	51%	0.513	40%	0.401	S	S	.	.	H	α-helix	trans	-62.3	-46.9	175.9	-71.3	170.9	0	0	0	111.4	L445 L446 Q447 D451 A452 F453	L445-L449 HydrophobicContact CD1-CG 4.25Å; L445-L449 HydrophobicContact CG-CD1 4.2Å; L445-L449 HydrophobicContact CG-CG 4.39Å; L445-L449 WeakPolarHBondContact O-CB 3.47Å; L445-L449 VanDerWaalsContact O-CG 3.3Å; L445-L449 WeakPolarHBondContact O-CG 3.47Å; L445-L449 PolarHBondContact O-N 3.31Å; L446-L449 PolarHBondContact O-N 2.85Å; Q447-L449 VanDerWaalsContact C-N 3.33Å; Q447-L449 PolarHBondContact O-N 2.78Å; L449-D451 VanDerWaalsContact C-N 3.3Å; L449-D451 PolarHBondContact O-N 3Å; L449-A452 PolarHBondContact O-N 3.46Å; L449-A452 VanDerWaalsContact O-N 3.12Å; L449-F453 WeakPolarHBondContact O-CD1 2.88Å; L449-F453 WeakPolarHBondContact O-CE1 3.34Å; L449-F453 PolarHBondContact O-N 3.16Å
450	R	96.5	Very high	96.2	Very high	79 Å²	79	72.9 Å²	72.9	30%	0.298	39%	0.386	S	S	.	.	H	α-helix	trans	-57.9	-42.6	177.4	-74.1	176.5	69.9	-152	8.7	112	L446 Q447 F453 G454 H456	L446-R450 HydrophobicContact CD2-CG 4.21Å; L446-R450 WeakPolarHBondContact O-CG 3.46Å; L446-R450 PolarHBondContact O-N 3.26Å; Q447-R450 PolarHBondContact O-N 2.58Å; R450-F453 HydrophobicContact CG-CE1 4.43Å; R450-F453 HydrophobicContact CG-CZ 4.26Å; R450-G454 WeakPolarHBondContact O-CA 3.29Å; R450-G454 PolarHBondContact O-N 2.84Å; R450-G454 VanDerWaalsContact O-N 3.08Å; R450-H456 HydrophobicContact CB-CB 3.99Å; R450-H456 PolarHBondContact O-CD2 2.98Å
451	D	95.8	Very high	96.2	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.005	39%	0.393	C	S	.	.	H	α-helix	trans	-68.7	-38.5	176	-166.9	52.7	0	0	0	112.1	Q447 A448 L449 A455 H456 T457 Y458 H469 T470 W472	Q447-D451 PolarHBondContact O-N 2.83Å; A448-D451 PolarHBondContact O-N 2.79Å; L449-D451 VanDerWaalsContact C-N 3.3Å; L449-D451 PolarHBondContact O-N 3Å; D451-A455 VanDerWaalsContact O-CA 3.24Å; D451-A455 WeakPolarHBondContact O-CA 3.49Å; D451-A455 PolarHBondContact O-N 3.29Å; D451-H456 PolarHBondContact OD1-N 3.17Å; D451-T457 VanDerWaalsContact OD1-CA 3.29Å; D451-T457 WeakPolarHBondContact OD1-CA 3.48Å; D451-T457 PolarHBondContact OD1-N 3.05Å; D451-Y458 HydrophobicContact CB-CD1 3.86Å; D451-Y458 HydrophobicContact CB-CE1 4.39Å; D451-Y458 WeakPolarHBondContact OD2-CE1 3.41Å; D451-H469 VanDerWaalsContact CG-ND1 3.31Å; D451-H469 IonicContact OD1-CE1 2.8Å; D451-H469 IonicContact OD1-CG 3.8Å; D451-H469 IonicContact OD1-ND1 3.77Å; D451-H469 PolarHBondContact OD1-ND1 2.97Å; D451-H469 IonicContact OD2-ND1 3.98Å; D451-H469 PolarHBondContact OD2-ND1 3.17Å; D451-T470 PolarHBondContact OD2-N 2.7Å; D451-W472 PolarHBondContact OD2-NE1 2.79Å
452	A	94	Very high	96.1	Very high	45 Å²	45	74.1 Å²	74.1	37%	0.372	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-45.1	-178.8	0	0	0	0	0	114.5	A448 L449 W472	A448-A452 VanDerWaalsContact O-CB 3.26Å; A448-A452 WeakPolarHBondContact O-CB 3.43Å; A448-A452 PolarHBondContact O-N 3.01Å; L449-A452 PolarHBondContact O-N 3.46Å; L449-A452 VanDerWaalsContact O-N 3.12Å; A452-W472 HydrophobicContact CB-CB 4.09Å; A452-W472 HydrophobicContact CB-CD2 3.94Å; A452-W472 HydrophobicContact CB-CG 3.65Å
453	F	93	Very high	95.9	Very high	155 Å²	155	73 Å²	73	68%	0.68	39%	0.387	S	S	*	.	H	α-helix	trans	-91.1	-21	-179.9	70.8	-108.9	0	0	0	113.6	L449 R450	L449-F453 WeakPolarHBondContact O-CD1 2.88Å; L449-F453 WeakPolarHBondContact O-CE1 3.34Å; L449-F453 PolarHBondContact O-N 3.16Å; R450-F453 HydrophobicContact CG-CE1 4.43Å; R450-F453 HydrophobicContact CG-CZ 4.26Å
454	G	92.5	Very high	95.8	Very high	24 Å²	24	76 Å²	76	25%	0.247	40%	0.4	C	S	.	.	H	α-helix	trans	-134.4	2.4	-166.3	0	0	0	0	0	115.8	R450 H456	R450-G454 WeakPolarHBondContact O-CA 3.29Å; R450-G454 PolarHBondContact O-N 2.84Å; R450-G454 VanDerWaalsContact O-N 3.08Å; G454-H456 PolarHBondContact O-N 3.16Å
455	A	93	Very high	95.6	Very high	18 Å²	18	73 Å²	73	15%	0.149	40%	0.396	C	S	.	.			trans	49.6	40.7	-177.4	0	0	0	0	0	112.8	D451 T457 H469 S481	D451-A455 VanDerWaalsContact O-CA 3.24Å; D451-A455 WeakPolarHBondContact O-CA 3.49Å; D451-A455 PolarHBondContact O-N 3.29Å; A455-T457 PolarHBondContact O-N 2.9Å; A455-H469 VanDerWaalsContact CB-CE1 3.46Å; A455-H469 WeakPolarHBondContact CB-CE1 3.5Å; A455-S481 PolarHBondContact O-N 3.39Å; A455-S481 PolarHBondContact O-OG 3.44Å
456	H	93.6	Very high	95.4	Very high	56 Å²	56	71 Å²	71	26%	0.259	39%	0.389	S	S	.	.			trans	-76.3	-0.3	-177	-72.7	-49.1	0	0	0	115.1	R450 D451 G454 S481	R450-H456 HydrophobicContact CB-CB 3.99Å; R450-H456 PolarHBondContact O-CD2 2.98Å; D451-H456 PolarHBondContact OD1-N 3.17Å; G454-H456 PolarHBondContact O-N 3.16Å; H456-S481 WeakPolarHBondContact CA-OG 3.45Å; H456-S481 PolarHBondContact ND1-OG 2.81Å; H456-S481 VanDerWaalsContact ND1-OG 3.16Å
457	T	95.4	Very high	95.2	Very high	15 Å²	15	72 Å²	72	9%	0.092	39%	0.387	C	S	.	.			trans	61.4	166.2	-175.4	75.2	0	0	0	0	113.1	D451 A455 Y467 V468 H469 A480	D451-T457 VanDerWaalsContact OD1-CA 3.29Å; D451-T457 WeakPolarHBondContact OD1-CA 3.48Å; D451-T457 PolarHBondContact OD1-N 3.05Å; A455-T457 PolarHBondContact O-N 2.9Å; T457-Y467 VanDerWaalsContact OG1-CD1 3.32Å; T457-Y467 WeakPolarHBondContact OG1-CD1 3.38Å; T457-V468 CarbonylContact C-O 3.55Å; T457-V468 VanDerWaalsContact CA-O 3.24Å; T457-V468 WeakPolarHBondContact CA-O 3.44Å; T457-H469 HydrophobicContact CG2-CB 4.32Å; T457-A480 HydrophobicContact CG2-CB 3.81Å
458	Y	95.6	Very high	95	Very high	47 Å²	47	71 Å²	71	18%	0.184	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	162.8	173	62.8	-85.9	0	0	0	110.6	D451 R460 Y467 V468 T470 W472	D451-Y458 HydrophobicContact CB-CD1 3.86Å; D451-Y458 HydrophobicContact CB-CE1 4.39Å; D451-Y458 WeakPolarHBondContact OD2-CE1 3.41Å; Y458-R460 HydrophobicContact CE2-CG 3.96Å; Y458-Y467 WeakPolarHBondContact O-CA 3.47Å; Y458-V468 VanDerWaalsContact CD1-O 3.3Å; Y458-V468 WeakPolarHBondContact CD1-O 3.38Å; Y458-V468 PolarHBondContact N-O 2.7Å; Y458-V468 PolarHBondContact O-N 3.3Å; Y458-T470 PolarHBondContact OH-OG1 3.39Å; Y458-W472 HydrophobicContact CE1-CZ2 4.02Å
459	E	96.7	Very high	94.8	Very high	79 Å²	79	72.2 Å²	72.2	37%	0.369	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	150.5	172.4	-63.2	-179.8	83.7	0	0	111	G465 Y467	E459-G465 VanDerWaalsContact OE1-CA 3.29Å; E459-G465 WeakPolarHBondContact OE1-CA 3.38Å; E459-G465 PolarHBondContact OE1-N 3.3Å; E459-Y467 HydrophobicContact CG-CD1 3.94Å; E459-Y467 HydrophobicContact CG-CD2 4.12Å; E459-Y467 HydrophobicContact CG-CE1 3.77Å; E459-Y467 HydrophobicContact CG-CE2 3.92Å; E459-Y467 HydrophobicContact CG-CG 4.13Å; E459-Y467 PolarHBondContact OE2-OH 2.83Å
460	R	96.3	Very high	94.6	Very high	125 Å²	125	69.7 Å²	69.7	47%	0.472	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	147.2	174.4	-61.8	173.1	54.1	148.6	-1.5	111.2	Y458 D462 N463 V464	Y458-R460 HydrophobicContact CE2-CG 3.96Å; R460-D462 WeakPolarHBondContact CB-OD1 3.3Å; R460-D462 IonicContact CZ-OD1 2.84Å; R460-D462 IonicContact CZ-OD2 3.63Å; R460-D462 IonicContact NE-OD1 3.55Å; R460-D462 PolarHBondContact NE-OD1 3.19Å; R460-D462 IonicContact NE-OD2 2.76Å; R460-D462 IonicContact NH2-OD1 3.59Å; R460-D462 PolarHBondContact NH2-OD1 3.45Å; R460-D462 IonicContact NH2-OD2 3.81Å; R460-D462 PolarHBondContact NH2-OD2 2.74Å; R460-D462 PolarHBondContact O-N 3.48Å; R460-N463 CarbonylContact O-C 3.58Å; R460-N463 VanDerWaalsContact O-C 3.24Å; R460-N463 PolarHBondContact O-N 2.94Å; R460-V464 PolarHBondContact O-N 3.49Å
461	V	96.3	Very high	94.3	Very high	139 Å²	139	69.2 Å²	69.2	84%	0.842	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.5	177.3	-61.9	0	0	0	0	113.4
462	D	96.4	Very high	94.1	Very high	109 Å²	109	74.8 Å²	74.8	58%	0.583	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	0.1	178	60.2	-17.3	0	0	0	113.3	R460	R460-D462 WeakPolarHBondContact CB-OD1 3.3Å; R460-D462 IonicContact CZ-OD1 2.84Å; R460-D462 IonicContact CZ-OD2 3.63Å; R460-D462 IonicContact NE-OD1 3.55Å; R460-D462 PolarHBondContact NE-OD1 3.19Å; R460-D462 IonicContact NE-OD2 2.76Å; R460-D462 IonicContact NH2-OD1 3.59Å; R460-D462 PolarHBondContact NH2-OD1 3.45Å; R460-D462 IonicContact NH2-OD2 3.81Å; R460-D462 PolarHBondContact NH2-OD2 2.74Å; R460-D462 PolarHBondContact O-N 3.48Å
463	N	94.9	Very high	93.7	Very high	79 Å²	79	77.2 Å²	77.2	42%	0.422	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	64.7	178.9	-165.8	19.4	0	0	0	111.9	R460 V466	R460-N463 CarbonylContact O-C 3.58Å; R460-N463 VanDerWaalsContact O-C 3.24Å; R460-N463 PolarHBondContact O-N 2.94Å; N463-V466 PolarHBondContact O-N 3.34Å
464	V	94.5	Very high	93	Very high	113 Å²	113	72.8 Å²	72.8	69%	0.685	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	141.2	179.8	-179.3	0	0	0	0	110.5	R460	R460-V464 PolarHBondContact O-N 3.49Å
465	G	93.8	Very high	91.9	Very high	56 Å²	56	80.5 Å²	80.5	58%	0.577	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	92.9	-8.7	-175.3	0	0	0	0	0	114	E459	E459-G465 VanDerWaalsContact OE1-CA 3.29Å; E459-G465 WeakPolarHBondContact OE1-CA 3.38Å; E459-G465 PolarHBondContact OE1-N 3.3Å
466	V	94	Very high	90.3	Very high	65 Å²	65	81.2 Å²	81.2	39%	0.394	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.7	177.7	-176.6	0	0	0	0	110.2	N463 V468	N463-V466 PolarHBondContact O-N 3.34Å; V466-V468 HydrophobicContact CG1-CG2 4.25Å
467	Y	94.4	Very high	88.8	Confident	116 Å²	116	81.2 Å²	81.2	46%	0.455	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.5	175.2	-73	-94.8	0	0	0	110.8	T457 Y458 E459	T457-Y467 VanDerWaalsContact OG1-CD1 3.32Å; T457-Y467 WeakPolarHBondContact OG1-CD1 3.38Å; Y458-Y467 WeakPolarHBondContact O-CA 3.47Å; E459-Y467 HydrophobicContact CG-CD1 3.94Å; E459-Y467 HydrophobicContact CG-CD2 4.12Å; E459-Y467 HydrophobicContact CG-CE1 3.77Å; E459-Y467 HydrophobicContact CG-CE2 3.92Å; E459-Y467 HydrophobicContact CG-CG 4.13Å; E459-Y467 PolarHBondContact OE2-OH 2.83Å
468	V	93.2	Very high	87.4	Confident	49 Å²	49	92.4 Å²	92.4	30%	0.297	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140	-177.7	-173.7	0	0	0	0	109.2	T457 Y458 V466	T457-V468 CarbonylContact C-O 3.55Å; T457-V468 VanDerWaalsContact CA-O 3.24Å; T457-V468 WeakPolarHBondContact CA-O 3.44Å; Y458-V468 VanDerWaalsContact CD1-O 3.3Å; Y458-V468 WeakPolarHBondContact CD1-O 3.38Å; Y458-V468 PolarHBondContact N-O 2.7Å; Y458-V468 PolarHBondContact O-N 3.3Å; V466-V468 HydrophobicContact CG1-CG2 4.25Å
469	H	93.5	Very high	86	Confident	48 Å²	48	97.2 Å²	97.2	22%	0.222	53%	0.53	C	S	.	.			trans	-105.4	135.9	164.9	171.6	56.4	0	0	0	108.7	D451 A455 T457 A480	D451-H469 VanDerWaalsContact CG-ND1 3.31Å; D451-H469 IonicContact OD1-CE1 2.8Å; D451-H469 IonicContact OD1-CG 3.8Å; D451-H469 IonicContact OD1-ND1 3.77Å; D451-H469 PolarHBondContact OD1-ND1 2.97Å; D451-H469 IonicContact OD2-ND1 3.98Å; D451-H469 PolarHBondContact OD2-ND1 3.17Å; A455-H469 VanDerWaalsContact CB-CE1 3.46Å; A455-H469 WeakPolarHBondContact CB-CE1 3.5Å; T457-H469 HydrophobicContact CG2-CB 4.32Å; H469-A480 HydrophobicContact CB-CB 3.68Å
470	T	93.2	Very high	84.8	Confident	46 Å²	46	95.6 Å²	95.6	28%	0.282	53%	0.53	S	S	.	.			trans	-105.3	135.9	173.1	-70.5	0	0	0	0	109.6	D451 Y458 W472	D451-T470 PolarHBondContact OD2-N 2.7Å; Y458-T470 PolarHBondContact OH-OG1 3.39Å; T470-W472 HydrophobicContact CG2-CD2 4.12Å; T470-W472 HydrophobicContact CG2-CG 4.37Å; T470-W472 HydrophobicContact CG2-CZ2 4.46Å; T470-W472 PolarHBondContact O-N 2.92Å; T470-W472 PolarHBondContact O-NE1 2.98Å
471	D	91.1	Very high	83.3	Confident	69 Å²	69	91.5 Å²	91.5	37%	0.369	52%	0.52	S	S	.	.			trans	-75.6	94.8	166	177.3	11.2	0	0	0	109.1	T473 G474 Q475 G476	D471-T473 PolarHBondContact O-N 3.3Å; D471-T473 PolarHBondContact OD1-N 2.94Å; D471-T473 PolarHBondContact OD1-OG1 3.13Å; D471-G474 PolarHBondContact OD1-N 3.1Å; D471-G474 VanDerWaalsContact OD2-C 3.27Å; D471-G474 WeakPolarHBondContact OD2-CA 3.34Å; D471-G474 PolarHBondContact OD2-N 3.09Å; D471-Q475 PolarHBondContact OD2-N 3.39Å; D471-G476 PolarHBondContact OD1-N 2.8Å; D471-G476 PolarHBondContact OD2-N 2.95Å
472	W	91	Very high	81.8	Confident	118 Å²	118	88.9 Å²	88.9	45%	0.447	51%	0.509	S	S	.	.	S	Bend	trans	-72.4	-18.1	-179.1	-60.6	88.7	0	0	0	113.5	A448 D451 A452 Y458 T470	A448-W472 HydrophobicContact CB-CH2 3.77Å; A448-W472 HydrophobicContact CB-CZ2 4.06Å; D451-W472 PolarHBondContact OD2-NE1 2.79Å; A452-W472 HydrophobicContact CB-CB 4.09Å; A452-W472 HydrophobicContact CB-CD2 3.94Å; A452-W472 HydrophobicContact CB-CG 3.65Å; Y458-W472 HydrophobicContact CE1-CZ2 4.02Å; T470-W472 HydrophobicContact CG2-CD2 4.12Å; T470-W472 HydrophobicContact CG2-CG 4.37Å; T470-W472 HydrophobicContact CG2-CZ2 4.46Å; T470-W472 PolarHBondContact O-N 2.92Å; T470-W472 PolarHBondContact O-NE1 2.98Å
473	T	85.2	Confident	80	Confident	95 Å²	95	90.2 Å²	90.2	58%	0.583	51%	0.506	S	S	*	.	S	Bend	trans	-101.6	-20.2	-173	64.7	0	0	0	0	113	D471 Q475 G476	D471-T473 PolarHBondContact O-N 3.3Å; D471-T473 PolarHBondContact OD1-N 2.94Å; D471-T473 PolarHBondContact OD1-OG1 3.13Å; T473-Q475 PolarHBondContact O-N 2.88Å; T473-Q475 PolarHBondContact OG1-N 3.46Å; T473-Q475 VanDerWaalsContact OG1-N 3.16Å; T473-G476 PolarHBondContact OG1-N 3.08Å
474	G	77.6	Confident	78.2	Confident	63 Å²	63	94.5 Å²	94.5	65%	0.649	52%	0.518	S	S	*	.	S	Bend	trans	68.4	5.5	-169	0	0	0	0	0	113.7	D471	D471-G474 PolarHBondContact OD1-N 3.1Å; D471-G474 VanDerWaalsContact OD2-C 3.27Å; D471-G474 WeakPolarHBondContact OD2-CA 3.34Å; D471-G474 PolarHBondContact OD2-N 3.09Å
475	Q	69.5	Low	76.4	Confident	186 Å²	186	97.1 Å²	97.1	87%	0.869	52%	0.522	S	S	*	.	S	Bend	trans	-128.4	-2.5	-179.9	-61.7	-172.2	-2.7	0	0	111.8	D471 T473	D471-Q475 PolarHBondContact OD2-N 3.39Å; T473-Q475 PolarHBondContact O-N 2.88Å; T473-Q475 PolarHBondContact OG1-N 3.46Å; T473-Q475 VanDerWaalsContact OG1-N 3.16Å
476	G	60.3	Low	74.4	Confident	33 Å²	33	103.5 Å²	103.5	34%	0.34	55%	0.55	S	S	.	*			trans	-86	137.6	-177.1	0	0	0	0	0	111.7	D471 T473	D471-G476 PolarHBondContact OD1-N 2.8Å; D471-G476 PolarHBondContact OD2-N 2.95Å; T473-G476 PolarHBondContact OG1-N 3.08Å
477	G	61.5	Low	73.4	Confident	55 Å²	55	105.5 Å²	105.5	57%	0.567	56%	0.558	S	S	*	*			trans	-65.8	158.8	172.7	0	0	0	0	0	112	I479	G477-I479 PolarHBondContact O-N 3.27Å
478	R	66.2	Low	72.3	Confident	251 Å²	251	104.9 Å²	104.9	95%	0.947	56%	0.563	S	S	*	*	S	Bend	trans	-66.7	14.2	179.4	-61	-177.3	-176.6	168.1	0.7	115
479	I	67.1	Low	71.1	Confident	148 Å²	148	108 Å²	108	76%	0.759	58%	0.578	S	S	*	*			trans	-91.1	113.5	-170.7	-58	177.3	0	0	0	108.4	G477	G477-I479 PolarHBondContact O-N 3.27Å
480	A	70.8	Confident	69.8	Low	45 Å²	45	111.5 Å²	111.5	37%	0.372	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-100	151.3	174.5	0	0	0	0	0	111.4	T457 H469	T457-A480 HydrophobicContact CG2-CB 3.81Å; H469-A480 HydrophobicContact CB-CB 3.68Å
481	S	65.3	Low	68.4	Low	38 Å²	38	115.6 Å²	115.6	27%	0.266	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-71.1	149.5	168.7	67.8	0	0	0	0	110.6	A455 H456	A455-S481 PolarHBondContact O-N 3.39Å; A455-S481 PolarHBondContact O-OG 3.44Å; H456-S481 WeakPolarHBondContact CA-OG 3.45Å; H456-S481 PolarHBondContact ND1-OG 2.81Å; H456-S481 VanDerWaalsContact ND1-OG 3.16Å
482	S	65.1	Low	66.8	Low	85 Å²	85	118.7 Å²	118.7	59%	0.594	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-65.2	140.1	172.1	51.3	0	0	0	0	110.3
483	Y	57.2	Low	65.1	Low	136 Å²	136	118.8 Å²	118.8	53%	0.533	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-62.5	146.6	176.9	81.5	-88.6	0	0	0	111	E485	Y483-E485 HydrophobicContact CE2-CG 3.99Å
484	Y	58.5	Low	63.6	Low	169 Å²	169	120.6 Å²	120.6	66%	0.663	65%	0.654	S	S	*	*			trans	-112.4	127	171.5	-67.8	-86.1	0	0	0	108.4
485	E	55	Low	62.4	Low	168 Å²	168	125.4 Å²	125.4	79%	0.785	65%	0.654	S	S	*	*			trans	-73.6	134.1	165.9	-96.5	164.2	-150.9	0	0	109.4	Y483	Y483-E485 HydrophobicContact CE2-CG 3.99Å
486	V	52.2	Low	61.8	Low	191 Å²	191	119.9 Å²	119.9	100%	1.158	64%	0.635	S	S	*	*			trans	-105	0	175.8	-174.9	0	0	0	0	109.2

Retrieved 486 of 486 residues in 149.8 ms (Link to these results)

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