X5D932_HUMAN Loading...

Glutathione S-transferase

AlphaFold DB , UniProt , Accession X5D932, Species HUMAN (Homo sapiens, Human), Gene GSTM1, Length 181 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	79	Confident	96.3	Very high	212 Å²	212	50.9 Å²	50.9	100%	1.044	25%	0.248	S	C	*	.				0	144.5	0	-70	-174.5	-69.9	0	0	107.5
2	P	92.9	Very high	96.4	Very high	57 Å²	57	47.7 Å²	47.7	37%	0.37	24%	0.238	S	C	.	.			trans	-60.1	149.8	173.9	27.1	-33.8	0	0	0	110.1	S27 E29	P2-S27 WeakPolarHBondContact CA-O 3.33Å; P2-E29 HydrophobicContact CB-CG 4.18Å; P2-E29 HydrophobicContact CG-CG 3.96Å
3	M	98.2	Very high	96.6	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	153.7	168.7	-65.5	-176.6	-76.3	0	0	110	L21 S26 S27 Y28 E29 L63 I64 D65	M3-L21 HydrophobicContact CE-CD2 3.63Å; M3-L21 HydrophobicContact SD-CD2 4.49Å; M3-S26 WeakPolarHBondContact CE-OG 3.49Å; M3-S27 PolarHBondContact N-O 3.11Å; M3-Y28 CarbonylContact O-C 3.58Å; M3-Y28 WeakPolarHBondContact O-CA 3.44Å; M3-E29 PolarHBondContact O-N 2.84Å; M3-L63 HydrophobicContact CB-CD1 4.24Å; M3-L63 HydrophobicContact SD-CD2 4.31Å; M3-I64 CarbonylContact C-O 3.52Å; M3-I64 VanDerWaalsContact CA-O 3.3Å; M3-I64 WeakPolarHBondContact CA-O 3.42Å; M3-D65 HydrophobicContact CG-CB 3.73Å; M3-D65 WeakPolarHBondContact CG-OD1 3.38Å; M3-D65 HydrophobicContact SD-CB 3.95Å
4	I	98.7	Very high	96.7	Very high	67 Å²	67	44.7 Å²	44.7	34%	0.344	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.7	176.5	-56.2	173.1	0	0	0	109	E29 K31 Y62 L63 I64	I4-E29 WeakPolarHBondContact CA-O 3.46Å; I4-K31 HydrophobicContact CG2-CB 4.05Å; I4-Y62 HydrophobicContact CG2-CE2 4.36Å; I4-L63 CarbonylContact O-C 3.48Å; I4-L63 WeakPolarHBondContact O-CA 3.37Å; I4-I64 HydrophobicContact CB-CB 4.33Å; I4-I64 PolarHBondContact N-O 3.29Å; I4-I64 PolarHBondContact O-N 2.97Å
5	L	98.9	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	117	169.6	174.6	61.1	0	0	0	109.4	I17 R18 L21 Y28 E29 E30 K31 P61 Y62 L63	L5-I17 HydrophobicContact CD1-CG2 3.84Å; L5-I17 HydrophobicContact CD2-CB 4.49Å; L5-I17 HydrophobicContact CD2-CG2 3.95Å; L5-R18 HydrophobicContact CD2-CG 3.73Å; L5-L21 HydrophobicContact CB-CD1 4.38Å; L5-L21 HydrophobicContact CD2-CD1 4.04Å; L5-Y28 HydrophobicContact CB-CD2 4.3Å; L5-E29 PolarHBondContact N-O 3.42Å; L5-E30 HydrophobicContact CB-CG 4.43Å; L5-E30 HydrophobicContact CD2-CG 4.43Å; L5-E30 CarbonylContact O-C 3.56Å; L5-E30 WeakPolarHBondContact O-CA 3.34Å; L5-K31 PolarHBondContact O-N 2.85Å; L5-P61 HydrophobicContact CD1-CB 4.31Å; L5-Y62 WeakPolarHBondContact CD1-O 3.39Å; L5-L63 HydrophobicContact CB-CD1 4.26Å
6	G	98.8	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.2	174.6	0	0	0	0	0	112.3	K31 P61 Y62	G6-K31 WeakPolarHBondContact CA-O 3.35Å; G6-P61 VanDerWaalsContact O-CA 3.25Å; G6-P61 WeakPolarHBondContact O-CA 3.33Å; G6-Y62 VanDerWaalsContact CA-CZ 3.46Å; G6-Y62 PolarHBondContact N-O 3.28Å; G6-Y62 PolarHBondContact O-N 3.02Å
7	Y	98.9	Very high	96.9	Very high	18 Å²	18	40.9 Å²	40.9	7%	0.071	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	170.7	172.8	-160.6	-119.2	0	0	0	112	I10 L13 A14 K31 K32 Y33 L60 P61	Y7-I10 HydrophobicContact CD1-CG1 4.41Å; Y7-I10 HydrophobicContact CE1-CD1 4.28Å; Y7-I10 HydrophobicContact CE1-CG1 3.83Å; Y7-L13 HydrophobicContact CE2-CB 4.22Å; Y7-L13 PolarHBondContact OH-N 2.57Å; Y7-A14 HydrophobicContact CD1-CB 3.33Å; Y7-A14 HydrophobicContact CD2-CB 4.2Å; Y7-A14 HydrophobicContact CE1-CB 3.95Å; Y7-A14 HydrophobicContact CG-CB 3.48Å; Y7-A14 VanDerWaalsContact CG-CB 3.48Å; Y7-K31 PolarHBondContact N-O 3.06Å; Y7-K31 VanDerWaalsContact N-O 3.14Å; Y7-K32 WeakPolarHBondContact O-CA 3.45Å; Y7-Y33 WeakPolarHBondContact O-CD2 3.18Å; Y7-Y33 PolarHBondContact O-N 3.04Å; Y7-L60 HydrophobicContact CD2-CB 3.86Å; Y7-L60 HydrophobicContact CE2-CB 4.16Å; Y7-P61 HydrophobicContact CD2-CB 3.6Å; Y7-P61 HydrophobicContact CD2-CG 4.22Å; Y7-P61 HydrophobicContact CE2-CB 4.22Å; Y7-P61 HydrophobicContact CE2-CG 4.36Å; Y7-P61 HydrophobicContact CG-CB 4.29Å
8	W	98.7	Very high	97	Very high	35 Å²	35	38.6 Å²	38.6	13%	0.133	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	149.9	166	-63.1	115.9	0	0	0	110.8	I10 Y33 R43 W46 L60	W8-I10 HydrophobicContact CB-CD1 4.05Å; W8-I10 HydrophobicContact CB-CG1 3.87Å; W8-I10 HydrophobicContact CB-CG2 4.47Å; W8-I10 PolarHBondContact O-N 3.17Å; W8-Y33 CarbonylContact C-O 3.48Å; W8-Y33 WeakPolarHBondContact CA-O 3.42Å; W8-R43 HydrophobicContact CH2-CB 4Å; W8-R43 HydrophobicContact CH2-CG 4.18Å; W8-W46 HydrophobicContact CH2-CB 3.44Å; W8-W46 VanDerWaalsContact CH2-CB 3.44Å; W8-W46 AromaticContact CH2-CD1 3.96Å; W8-W46 HydrophobicContact CH2-CG 4.04Å; W8-W46 HydrophobicContact CZ2-CB 4.04Å; W8-W46 AromaticContact CZ2-CD1 3.71Å; W8-W46 HydrophobicContact CZ2-CG 4.14Å; W8-W46 HydrophobicContact CZ3-CB 3.98Å; W8-L60 HydrophobicContact CD2-CD1 3.95Å; W8-L60 VanDerWaalsContact CE2-CD1 3.49Å; W8-L60 HydrophobicContact CG-CD1 4.25Å; W8-L60 HydrophobicContact CZ2-CD1 3.81Å
9	D	98.4	Very high	96.9	Very high	60 Å²	60	38.1 Å²	38.1	32%	0.321	20%	0.199	S	C	.	.	S	Bend	trans	-75.3	57.7	174.4	-164.6	25.6	0	0	0	112	K32 Y33 L167	D9-K32 HydrophobicContact CB-CB 4.12Å; D9-K32 VanDerWaalsContact OD1-CD 3.29Å; D9-K32 WeakPolarHBondContact OD1-CD 3.47Å; D9-K32 WeakPolarHBondContact OD1-CE 3.48Å; D9-K32 IonicContact OD1-NZ 3.98Å; D9-K32 PolarHBondContact OD1-NZ 3.05Å; D9-Y33 PolarHBondContact N-O 3.24Å; D9-L167 WeakPolarHBondContact OD1-CD2 3.29Å
10	I	98.5	Very high	96.9	Very high	17 Å²	17	37 Å²	37	9%	0.087	19%	0.193	C	C	.	.	S	Bend	trans	-141.6	169.3	178.2	71.6	-179.3	0	0	0	108.2	Y7 W8 R18 L167 P170	Y7-I10 HydrophobicContact CD1-CG1 4.41Å; Y7-I10 HydrophobicContact CE1-CD1 4.28Å; Y7-I10 HydrophobicContact CE1-CG1 3.83Å; W8-I10 HydrophobicContact CB-CD1 4.05Å; W8-I10 HydrophobicContact CB-CG1 3.87Å; W8-I10 HydrophobicContact CB-CG2 4.47Å; W8-I10 PolarHBondContact O-N 3.17Å; I10-R18 PolarHBondContact O-NH1 3.49Å; I10-L167 WeakPolarHBondContact O-CD2 3.32Å; I10-P170 HydrophobicContact CB-CG 3.94Å; I10-P170 HydrophobicContact CG2-CG 3.6Å
11	R	98.4	Very high	96.9	Very high	86 Å²	86	35.2 Å²	35.2	33%	0.325	18%	0.184	S	C	.	.	S	Bend	trans	-61.5	-68.8	171.8	-179.9	176.9	177.9	-166.8	-0.6	111.8	H15 R18 P168 P170	R11-H15 HydrophobicContact CG-CB 3.6Å; R11-H15 WeakPolarHBondContact CG-ND1 3.1Å; R11-H15 PolarHBondContact NE-CD2 3.36Å; R11-H15 VanDerWaalsContact NE-CD2 3.28Å; R11-H15 PolarHBondContact NE-NE2 3.26Å; R11-H15 PolarHBondContact O-N 2.8Å; R11-R18 PolarHBondContact O-NH1 3.27Å; R11-P168 WeakPolarHBondContact CD-O 3.49Å; R11-P170 VanDerWaalsContact CB-O 3.24Å; R11-P170 WeakPolarHBondContact CB-O 3.4Å; R11-P170 PolarHBondContact N-O 3.42Å
12	G	97.9	Very high	97.7	Very high	12 Å²	12	26.6 Å²	26.6	12%	0.124	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	39.2	-143.9	177.3	0	0	0	0	0	116.2	A14 H15 V171	G12-A14 VanDerWaalsContact C-N 3.27Å; G12-A14 PolarHBondContact O-N 3.17Å; G12-H15 PolarHBondContact O-N 3.45Å; G12-V171 PolarHBondContact N-O 3.39Å
13	L	98.4	Very high	97.7	Very high	54 Å²	54	27.1 Å²	27.1	28%	0.283	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-69.8	-20.2	-178.7	-65.3	171.4	0	0	0	113.7	Y7 H15 M105 H108	Y7-L13 HydrophobicContact CE2-CB 4.22Å; Y7-L13 PolarHBondContact OH-N 2.57Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3Å; L13-M105 HydrophobicContact CD2-CE 4.33Å; L13-M105 HydrophobicContact CD2-SD 4.43Å; L13-H108 WeakPolarHBondContact CD2-NE2 3.38Å
14	A	98.4	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-77.9	-10.2	-179.5	0	0	0	0	0	113.7	Y7 G12 A16 I17 R18	Y7-A14 HydrophobicContact CD1-CB 3.33Å; Y7-A14 HydrophobicContact CD2-CB 4.2Å; Y7-A14 HydrophobicContact CE1-CB 3.95Å; Y7-A14 HydrophobicContact CG-CB 3.48Å; Y7-A14 VanDerWaalsContact CG-CB 3.48Å; G12-A14 VanDerWaalsContact C-N 3.27Å; G12-A14 PolarHBondContact O-N 3.17Å; A14-A16 PolarHBondContact O-N 2.64Å; A14-I17 PolarHBondContact O-N 3.44Å; A14-I17 VanDerWaalsContact O-N 3.16Å; A14-R18 WeakPolarHBondContact O-CG 3.3Å; A14-R18 PolarHBondContact O-N 3.5Å
15	H	97.9	Very high	97.2	Very high	21 Å²	21	31.7 Å²	31.7	10%	0.097	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-47.3	-173.6	-165.4	69.1	0	0	0	113.2	R11 G12 L13 I17 R18 L19 F166	R11-H15 HydrophobicContact CG-CB 3.6Å; R11-H15 WeakPolarHBondContact CG-ND1 3.1Å; R11-H15 PolarHBondContact NE-CD2 3.36Å; R11-H15 VanDerWaalsContact NE-CD2 3.28Å; R11-H15 PolarHBondContact NE-NE2 3.26Å; R11-H15 PolarHBondContact O-N 2.8Å; G12-H15 PolarHBondContact O-N 3.45Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3Å; H15-I17 VanDerWaalsContact C-N 3.29Å; H15-I17 PolarHBondContact O-N 2.91Å; H15-R18 PolarHBondContact O-N 3.03Å; H15-L19 WeakPolarHBondContact O-CD1 3.49Å; H15-L19 VanDerWaalsContact O-CG 3.23Å; H15-L19 WeakPolarHBondContact O-CG 3.46Å; H15-L19 PolarHBondContact O-N 3.48Å; H15-L19 VanDerWaalsContact O-N 3.08Å; H15-F166 AromaticContact CE1-CE2 3.71Å
16	A	97.1	Very high	97.1	Very high	48 Å²	48	32.5 Å²	32.5	40%	0.397	17%	0.168	S	C	.	.	H	α-helix	trans	-63.6	-36.6	177.4	0	0	0	0	0	111.9	A14 L19 L20 L77	A14-A16 PolarHBondContact O-N 2.64Å; A16-L19 PolarHBondContact O-N 2.93Å; A16-L20 WeakPolarHBondContact O-CB 3.37Å; A16-L20 PolarHBondContact O-N 3.49Å; A16-L77 HydrophobicContact CB-CD1 4.08Å; A16-L77 HydrophobicContact CB-CD2 4.05Å
17	I	98.5	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.5	-48.2	178.9	-59.8	167.3	0	0	0	110.3	L5 A14 H15 L19 L20 L21 P61 I76 L77 I80	L5-I17 HydrophobicContact CD1-CG2 3.84Å; L5-I17 HydrophobicContact CD2-CB 4.49Å; L5-I17 HydrophobicContact CD2-CG2 3.95Å; A14-I17 PolarHBondContact O-N 3.44Å; A14-I17 VanDerWaalsContact O-N 3.16Å; H15-I17 VanDerWaalsContact C-N 3.29Å; H15-I17 PolarHBondContact O-N 2.91Å; I17-L19 PolarHBondContact O-N 2.85Å; I17-L20 PolarHBondContact O-N 2.89Å; I17-L21 HydrophobicContact CG2-CD1 3.89Å; I17-L21 HydrophobicContact CG2-CG 4.35Å; I17-L21 WeakPolarHBondContact O-CG 3.27Å; I17-L21 PolarHBondContact O-N 3.29Å; I17-P61 HydrophobicContact CD1-CB 4.06Å; I17-P61 HydrophobicContact CD1-CG 3.7Å; I17-I76 HydrophobicContact CD1-CB 4.01Å; I17-I76 HydrophobicContact CD1-CD1 4.06Å; I17-I76 HydrophobicContact CD1-CG2 3.82Å; I17-I76 HydrophobicContact CG1-CB 4.48Å; I17-I76 HydrophobicContact CG1-CG2 4.03Å; I17-I76 HydrophobicContact CG2-CG2 3.72Å; I17-L77 HydrophobicContact CB-CD2 4.45Å; I17-L77 HydrophobicContact CG1-CD2 3.87Å; I17-L77 HydrophobicContact CG1-CG 3.95Å; I17-I80 HydrophobicContact CG2-CD1 3.95Å
18	R	98.2	Very high	97	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.1	-48.8	175.9	-68.6	171.8	177	133.4	-2.1	111.4	L5 I10 R11 A14 H15 L20 L21 E22 E30	L5-R18 HydrophobicContact CD2-CG 3.73Å; I10-R18 PolarHBondContact O-NH1 3.49Å; R11-R18 PolarHBondContact O-NH1 3.27Å; A14-R18 WeakPolarHBondContact O-CG 3.3Å; A14-R18 PolarHBondContact O-N 3.5Å; H15-R18 PolarHBondContact O-N 3.03Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.27Å; R18-L21 PolarHBondContact O-N 3.31Å; R18-E22 WeakPolarHBondContact O-CB 3.38Å; R18-E22 WeakPolarHBondContact O-CG 3.47Å; R18-E22 PolarHBondContact O-N 2.75Å; R18-E30 WeakPolarHBondContact CD-OE1 3.19Å; R18-E30 WeakPolarHBondContact CG-OE1 3.36Å; R18-E30 IonicContact CZ-OE2 2.83Å; R18-E30 VanDerWaalsContact CZ-OE2 3.26Å; R18-E30 VanDerWaalsContact NE-CD 3.3Å; R18-E30 IonicContact NE-OE1 2.99Å; R18-E30 PolarHBondContact NE-OE1 2.72Å; R18-E30 IonicContact NE-OE2 2.9Å; R18-E30 PolarHBondContact NE-OE2 3.34Å; R18-E30 IonicContact NH2-OE2 3.07Å; R18-E30 PolarHBondContact NH2-OE2 3.47Å
19	L	96.1	Very high	97	Very high	28 Å²	28	41.1 Å²	41.1	15%	0.147	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-40.8	177.9	-68.3	166.7	0	0	0	111.9	H15 A16 I17 Y23 I157 Y160 M161	H15-L19 WeakPolarHBondContact O-CD1 3.49Å; H15-L19 VanDerWaalsContact O-CG 3.23Å; H15-L19 WeakPolarHBondContact O-CG 3.46Å; H15-L19 PolarHBondContact O-N 3.48Å; H15-L19 VanDerWaalsContact O-N 3.08Å; A16-L19 PolarHBondContact O-N 2.93Å; I17-L19 PolarHBondContact O-N 2.85Å; L19-Y23 WeakPolarHBondContact O-CB 3.28Å; L19-Y23 PolarHBondContact O-N 3.41Å; L19-I157 HydrophobicContact CB-CD1 4.38Å; L19-I157 HydrophobicContact CD2-CG2 3.41Å; L19-I157 VanDerWaalsContact CD2-CG2 3.41Å; L19-Y160 HydrophobicContact CD2-CD1 3.63Å; L19-Y160 HydrophobicContact CD2-CE1 3.54Å; L19-Y160 HydrophobicContact CG-CE1 4.21Å; L19-M161 HydrophobicContact CD2-CE 4.32Å
20	L	96.1	Very high	96.9	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-72.3	-39.9	-179.9	-173.2	61.7	0	0	0	112.5	A16 I17 R18 E22 Y23 T24 L77 I80 L86 L154	A16-L20 WeakPolarHBondContact O-CB 3.37Å; A16-L20 PolarHBondContact O-N 3.49Å; I17-L20 PolarHBondContact O-N 2.89Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.27Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-Y23 PolarHBondContact O-N 2.69Å; L20-T24 HydrophobicContact CD1-CG2 4.32Å; L20-T24 WeakPolarHBondContact O-CB 3.33Å; L20-T24 WeakPolarHBondContact O-CG2 3.28Å; L20-T24 PolarHBondContact O-N 3.42Å; L20-T24 PolarHBondContact O-OG1 3.39Å; L20-L77 HydrophobicContact CB-CD2 4.29Å; L20-L77 HydrophobicContact CD2-CD2 3.75Å; L20-I80 HydrophobicContact CD2-CB 3.81Å; L20-I80 HydrophobicContact CD2-CD1 4.49Å; L20-I80 HydrophobicContact CD2-CG2 3.77Å; L20-I80 HydrophobicContact CG-CB 4.35Å; L20-I80 HydrophobicContact CG-CG2 3.75Å; L20-L86 HydrophobicContact CD1-CD1 3.85Å; L20-L154 HydrophobicContact CD1-CD1 4.14Å; L20-L154 HydrophobicContact CD1-CD2 4.37Å
21	L	96.8	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-43.2	174	-72.3	168.2	0	0	0	111.1	M3 L5 I17 R18 T24 D25 S26 Y28 L63 I80	M3-L21 HydrophobicContact CE-CD2 3.63Å; M3-L21 HydrophobicContact SD-CD2 4.49Å; L5-L21 HydrophobicContact CB-CD1 4.38Å; L5-L21 HydrophobicContact CD2-CD1 4.04Å; I17-L21 HydrophobicContact CG2-CD1 3.89Å; I17-L21 HydrophobicContact CG2-CG 4.35Å; I17-L21 WeakPolarHBondContact O-CG 3.27Å; I17-L21 PolarHBondContact O-N 3.29Å; R18-L21 PolarHBondContact O-N 3.31Å; L21-T24 WeakPolarHBondContact CA-OG1 3.37Å; L21-T24 PolarHBondContact O-N 3.34Å; L21-T24 PolarHBondContact O-OG1 3.4Å; L21-T24 VanDerWaalsContact O-OG1 3.05Å; L21-D25 PolarHBondContact O-N 2.97Å; L21-S26 WeakPolarHBondContact O-CB 3.5Å; L21-S26 PolarHBondContact O-N 3.33Å; L21-Y28 HydrophobicContact CB-CD1 3.8Å; L21-Y28 HydrophobicContact CB-CE1 3.72Å; L21-Y28 HydrophobicContact CB-CG 4.27Å; L21-Y28 HydrophobicContact CD1-CD1 4.21Å; L21-Y28 HydrophobicContact CD1-CD2 3.64Å; L21-Y28 HydrophobicContact CD1-CE1 4.46Å; L21-Y28 HydrophobicContact CD1-CE2 3.88Å; L21-Y28 HydrophobicContact CD1-CG 3.82Å; L21-Y28 HydrophobicContact CG-CD1 4.45Å; L21-Y28 HydrophobicContact CG-CG 4.45Å; L21-L63 HydrophobicContact CD1-CD1 4.5Å; L21-I80 HydrophobicContact CD2-CD1 3.71Å; L21-I80 HydrophobicContact CD2-CG1 4.22Å; L21-I80 HydrophobicContact CG-CD1 3.91Å
22	E	95.3	Very high	96.9	Very high	32 Å²	32	42.8 Å²	42.8	15%	0.15	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-44	176.3	-66.2	-78.5	162.1	0	0	112	R18 L20 T24 D25 Y28 Y160 R165	R18-E22 WeakPolarHBondContact O-CB 3.38Å; R18-E22 WeakPolarHBondContact O-CG 3.47Å; R18-E22 PolarHBondContact O-N 2.75Å; L20-E22 VanDerWaalsContact C-N 3.33Å; E22-T24 VanDerWaalsContact C-N 3.27Å; E22-T24 PolarHBondContact O-N 3.02Å; E22-D25 PolarHBondContact O-N 2.83Å; E22-D25 VanDerWaalsContact O-N 3.17Å; E22-Y28 HydrophobicContact CG-CE1 4.39Å; E22-Y28 PolarHBondContact OE1-OH 3.39Å; E22-Y160 HydrophobicContact CB-CD1 4.37Å; E22-Y160 HydrophobicContact CB-CD2 4.25Å; E22-Y160 HydrophobicContact CB-CG 3.95Å; E22-Y160 HydrophobicContact CG-CD1 4.1Å; E22-Y160 HydrophobicContact CG-CD2 3.39Å; E22-Y160 HydrophobicContact CG-CE1 4.37Å; E22-Y160 HydrophobicContact CG-CE2 3.74Å; E22-Y160 HydrophobicContact CG-CG 3.58Å; E22-R165 VanDerWaalsContact CD-NH2 3.26Å; E22-R165 IonicContact OE1-CZ 3.76Å; E22-R165 IonicContact OE1-NE 2.71Å; E22-R165 PolarHBondContact OE1-NE 3.26Å; E22-R165 IonicContact OE1-NH2 3.26Å; E22-R165 PolarHBondContact OE1-NH2 2.91Å; E22-R165 IonicContact OE2-CZ 2.69Å; E22-R165 IonicContact OE2-NE 2.83Å; E22-R165 IonicContact OE2-NH2 2.72Å; E22-R165 PolarHBondContact OE2-NH2 3.03Å
23	Y	93	Very high	97	Very high	67 Å²	67	42.3 Å²	42.3	26%	0.263	22%	0.221	S	C	.	.	H	α-helix	trans	-60.9	-38.3	176.8	173.7	-93.4	0	0	0	112.4	L19 L20 D25 L86 G153 L154 I157	L19-Y23 WeakPolarHBondContact O-CB 3.28Å; L19-Y23 PolarHBondContact O-N 3.41Å; L20-Y23 PolarHBondContact O-N 2.69Å; Y23-D25 PolarHBondContact O-N 3.23Å; Y23-L86 HydrophobicContact CD1-CD1 4Å; Y23-L86 HydrophobicContact CE1-CD1 3.83Å; Y23-L86 HydrophobicContact CE1-CD2 4.04Å; Y23-G153 PolarHBondContact OH-O 3.05Å; Y23-L154 HydrophobicContact CD1-CB 4.45Å; Y23-L154 HydrophobicContact CD1-CD2 3.39Å; Y23-L154 HydrophobicContact CD1-CG 4.32Å; Y23-L154 HydrophobicContact CD2-CB 3.66Å; Y23-L154 HydrophobicContact CD2-CD2 4.18Å; Y23-L154 HydrophobicContact CD2-CG 4.4Å; Y23-L154 HydrophobicContact CE1-CB 4.46Å; Y23-L154 HydrophobicContact CE1-CD2 3.21Å; Y23-L154 HydrophobicContact CE1-CG 4.35Å; Y23-L154 HydrophobicContact CE2-CB 3.69Å; Y23-L154 HydrophobicContact CE2-CD2 4.05Å; Y23-L154 HydrophobicContact CE2-CG 4.44Å; Y23-L154 HydrophobicContact CG-CB 4.04Å; Y23-L154 HydrophobicContact CG-CD1 4.47Å; Y23-L154 HydrophobicContact CG-CD2 3.85Å; Y23-L154 HydrophobicContact CG-CG 4.31Å; Y23-I157 HydrophobicContact CD2-CG1 4.45Å
24	T	93.9	Very high	97	Very high	18 Å²	18	42.6 Å²	42.6	11%	0.11	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	3.6	-179.6	52.2	0	0	0	0	113.6	L20 L21 E22 S26 I80 H84 L86	L20-T24 HydrophobicContact CD1-CG2 4.32Å; L20-T24 WeakPolarHBondContact O-CB 3.33Å; L20-T24 WeakPolarHBondContact O-CG2 3.28Å; L20-T24 PolarHBondContact O-N 3.42Å; L20-T24 PolarHBondContact O-OG1 3.39Å; L21-T24 WeakPolarHBondContact CA-OG1 3.37Å; L21-T24 PolarHBondContact O-N 3.34Å; L21-T24 PolarHBondContact O-OG1 3.4Å; L21-T24 VanDerWaalsContact O-OG1 3.05Å; E22-T24 VanDerWaalsContact C-N 3.27Å; E22-T24 PolarHBondContact O-N 3.02Å; T24-S26 PolarHBondContact O-N 3.4Å; T24-S26 PolarHBondContact OG1-OG 3.22Å; T24-I80 HydrophobicContact CG2-CG2 4.22Å; T24-H84 HydrophobicContact CG2-CB 3.85Å; T24-L86 HydrophobicContact CG2-CD1 3.69Å
25	D	93.8	Very high	96.9	Very high	154 Å²	154	43.2 Å²	43.2	82%	0.824	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	36.7	-173.5	-161.2	34.4	0	0	0	112.2	L21 E22 Y23	L21-D25 PolarHBondContact O-N 2.97Å; E22-D25 PolarHBondContact O-N 2.83Å; E22-D25 VanDerWaalsContact O-N 3.17Å; Y23-D25 PolarHBondContact O-N 3.23Å
26	S	96	Very high	96.9	Very high	17 Å²	17	43.2 Å²	43.2	12%	0.119	23%	0.234	C	C	.	.			trans	-68.2	136.7	-177.7	-78.8	0	0	0	0	110.9	M3 L21 T24 Y28	M3-S26 WeakPolarHBondContact CE-OG 3.49Å; L21-S26 WeakPolarHBondContact O-CB 3.5Å; L21-S26 PolarHBondContact O-N 3.33Å; T24-S26 PolarHBondContact O-N 3.4Å; T24-S26 PolarHBondContact OG1-OG 3.22Å; S26-Y28 WeakPolarHBondContact O-CD1 3.21Å; S26-Y28 PolarHBondContact O-N 2.85Å
27	S	97.3	Very high	97	Very high	88 Å²	88	46.4 Å²	46.4	62%	0.615	24%	0.244	S	C	*	.			trans	-77.9	106.5	166.5	-176.6	0	0	0	0	109.5	P2 M3	P2-S27 WeakPolarHBondContact CA-O 3.33Å; M3-S27 PolarHBondContact N-O 3.11Å
28	Y	98.2	Very high	96.8	Very high	20 Å²	20	49.4 Å²	49.4	8%	0.078	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.7	178.9	80.2	-73.5	0	0	0	112.5	M3 L5 L21 E22 S26 E30	M3-Y28 CarbonylContact O-C 3.58Å; M3-Y28 WeakPolarHBondContact O-CA 3.44Å; L5-Y28 HydrophobicContact CB-CD2 4.3Å; L21-Y28 HydrophobicContact CB-CD1 3.8Å; L21-Y28 HydrophobicContact CB-CE1 3.72Å; L21-Y28 HydrophobicContact CB-CG 4.27Å; L21-Y28 HydrophobicContact CD1-CD1 4.21Å; L21-Y28 HydrophobicContact CD1-CD2 3.64Å; L21-Y28 HydrophobicContact CD1-CE1 4.46Å; L21-Y28 HydrophobicContact CD1-CE2 3.88Å; L21-Y28 HydrophobicContact CD1-CG 3.82Å; L21-Y28 HydrophobicContact CG-CD1 4.45Å; L21-Y28 HydrophobicContact CG-CG 4.45Å; E22-Y28 HydrophobicContact CG-CE1 4.39Å; E22-Y28 PolarHBondContact OE1-OH 3.39Å; S26-Y28 WeakPolarHBondContact O-CD1 3.21Å; S26-Y28 PolarHBondContact O-N 2.85Å; Y28-E30 HydrophobicContact CD2-CG 4.15Å; Y28-E30 HydrophobicContact CE2-CG 3.66Å
29	E	98.1	Very high	96.7	Very high	126 Å²	126	54.6 Å²	54.6	59%	0.589	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.8	169.1	-67.4	-63.4	158.5	0	0	109.6	P2 M3 I4 L5	P2-E29 HydrophobicContact CB-CG 4.18Å; P2-E29 HydrophobicContact CG-CG 3.96Å; M3-E29 PolarHBondContact O-N 2.84Å; I4-E29 WeakPolarHBondContact CA-O 3.46Å; L5-E29 PolarHBondContact N-O 3.42Å
30	E	97.9	Very high	96.8	Very high	43 Å²	43	59.9 Å²	59.9	20%	0.201	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.3	175.4	-68.2	-164.2	-144.6	0	0	111.8	L5 R18 Y28 K32	L5-E30 HydrophobicContact CB-CG 4.43Å; L5-E30 HydrophobicContact CD2-CG 4.43Å; L5-E30 CarbonylContact O-C 3.56Å; L5-E30 WeakPolarHBondContact O-CA 3.34Å; R18-E30 WeakPolarHBondContact CD-OE1 3.19Å; R18-E30 WeakPolarHBondContact CG-OE1 3.36Å; R18-E30 IonicContact CZ-OE2 2.83Å; R18-E30 VanDerWaalsContact CZ-OE2 3.26Å; R18-E30 VanDerWaalsContact NE-CD 3.3Å; R18-E30 IonicContact NE-OE1 2.99Å; R18-E30 PolarHBondContact NE-OE1 2.72Å; R18-E30 IonicContact NE-OE2 2.9Å; R18-E30 PolarHBondContact NE-OE2 3.34Å; R18-E30 IonicContact NH2-OE2 3.07Å; R18-E30 PolarHBondContact NH2-OE2 3.47Å; Y28-E30 HydrophobicContact CD2-CG 4.15Å; Y28-E30 HydrophobicContact CE2-CG 3.66Å; E30-K32 HydrophobicContact CB-CG 4.07Å; E30-K32 PolarHBondContact O-N 3.17Å; E30-K32 WeakPolarHBondContact OE2-CE 3.37Å
31	K	98.3	Very high	96.9	Very high	76 Å²	76	62.4 Å²	62.4	33%	0.33	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	98.7	162.3	178.2	70.4	173.9	-161.9	0	108.1	I4 L5 G6 Y7 Y33 E49 Y62	I4-K31 HydrophobicContact CG2-CB 4.05Å; L5-K31 PolarHBondContact O-N 2.85Å; G6-K31 WeakPolarHBondContact CA-O 3.35Å; Y7-K31 PolarHBondContact N-O 3.06Å; Y7-K31 VanDerWaalsContact N-O 3.14Å; K31-Y33 HydrophobicContact CG-CE1 4.17Å; K31-Y33 HydrophobicContact CG-CE2 3.84Å; K31-E49 VanDerWaalsContact CE-OE2 3.24Å; K31-E49 WeakPolarHBondContact CE-OE2 3.46Å; K31-E49 IonicContact NZ-OE1 3.61Å; K31-E49 PolarHBondContact NZ-OE1 3.17Å; K31-E49 IonicContact NZ-OE2 3.76Å; K31-E49 PolarHBondContact NZ-OE2 2.9Å; K31-Y62 WeakPolarHBondContact CG-OH 3.15Å
32	K	98.4	Very high	97	Very high	78 Å²	78	65.9 Å²	65.9	34%	0.339	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.3	179.1	-68.3	174.5	162.8	-149.9	0	110.8	Y7 D9 E30	Y7-K32 WeakPolarHBondContact O-CA 3.45Å; D9-K32 HydrophobicContact CB-CB 4.12Å; D9-K32 VanDerWaalsContact OD1-CD 3.29Å; D9-K32 WeakPolarHBondContact OD1-CD 3.47Å; D9-K32 WeakPolarHBondContact OD1-CE 3.48Å; D9-K32 IonicContact OD1-NZ 3.98Å; D9-K32 PolarHBondContact OD1-NZ 3.05Å; E30-K32 HydrophobicContact CB-CG 4.07Å; E30-K32 PolarHBondContact O-N 3.17Å; E30-K32 WeakPolarHBondContact OE2-CE 3.37Å
33	Y	98.6	Very high	97.1	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.008	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.2	172.1	-59.1	-80.6	0	0	0	109.4	Y7 W8 D9 K31 Q45 W46 E49 L60 Y62	Y7-Y33 WeakPolarHBondContact O-CD2 3.18Å; Y7-Y33 PolarHBondContact O-N 3.04Å; W8-Y33 CarbonylContact C-O 3.48Å; W8-Y33 WeakPolarHBondContact CA-O 3.42Å; D9-Y33 PolarHBondContact N-O 3.24Å; K31-Y33 HydrophobicContact CG-CE1 4.17Å; K31-Y33 HydrophobicContact CG-CE2 3.84Å; Y33-Q45 HydrophobicContact CD1-CB 4.09Å; Y33-Q45 WeakPolarHBondContact CD1-O 3.39Å; Y33-Q45 WeakPolarHBondContact CE1-O 3.38Å; Y33-W46 HydrophobicContact CD1-CB 3.95Å; Y33-W46 HydrophobicContact CD2-CE3 4.41Å; Y33-W46 HydrophobicContact CE1-CB 4.41Å; Y33-W46 AromaticContact CE1-CE3 3.99Å; Y33-W46 HydrophobicContact CE1-CE3 3.99Å; Y33-W46 AromaticContact CE2-CE3 3.86Å; Y33-W46 HydrophobicContact CE2-CE3 3.86Å; Y33-W46 HydrophobicContact CE2-CZ3 4.31Å; Y33-W46 HydrophobicContact CG-CB 4.04Å; Y33-W46 AromaticContact CZ-CE3 3.61Å; Y33-E49 PolarHBondContact OH-OE2 3.37Å; Y33-L60 HydrophobicContact CD2-CD1 4.15Å; Y33-L60 HydrophobicContact CD2-CD2 3.92Å; Y33-L60 HydrophobicContact CE2-CD2 3.77Å; Y33-Y62 AromaticContact CE2-CE1 3.86Å; Y33-Y62 HydrophobicContact CE2-CE1 3.86Å; Y33-Y62 PolarHBondContact OH-OH 2.95Å
34	T	98.2	Very high	97.4	Very high	60 Å²	60	68.2 Å²	68.2	37%	0.368	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-98.3	127.3	175.7	-53.2	0	0	0	0	109.5
35	M	98.1	Very high	97.6	Very high	14 Å²	14	71.5 Å²	71.5	7%	0.069	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-78.9	136.3	169	-177	179.4	-71.8	0	0	109.4	Y41 D42 R43 K174 M175	M35-Y41 HydrophobicContact SD-CD1 4.26Å; M35-D42 CarbonylContact C-O 3.46Å; M35-D42 WeakPolarHBondContact CA-O 3.45Å; M35-R43 HydrophobicContact CE-CG 4.4Å; M35-K174 WeakPolarHBondContact O-CD 3.43Å; M35-K174 VanDerWaalsContact O-CE 3.24Å; M35-K174 WeakPolarHBondContact O-CE 3.32Å; M35-K174 PolarHBondContact O-NZ 3.26Å; M35-K174 HydrophobicContact SD-CB 4.22Å; M35-M175 HydrophobicContact SD-CG 3.97Å; M35-M175 HydrophobicContact SD-SD 4.33Å
36	G	97.8	Very high	97.8	Very high	21 Å²	21	64.8 Å²	64.8	22%	0.216	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-61.3	166.6	173.4	0	0	0	0	0	112.8	D42 K174	G36-D42 PolarHBondContact N-O 2.85Å; G36-K174 VanDerWaalsContact O-CD 3.26Å; G36-K174 WeakPolarHBondContact O-CD 3.43Å
37	D	97.7	Very high	97.9	Very high	114 Å²	114	68.5 Å²	68.5	61%	0.61	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-77.6	166.7	178.4	-66.1	-51.1	0	0	0	112.5	D40 Y41 K174	D37-D40 PolarHBondContact O-N 3.09Å; D37-Y41 PolarHBondContact O-N 2.83Å; D37-K174 WeakPolarHBondContact OD1-CE 3.37Å; D37-K174 IonicContact OD1-NZ 2.79Å; D37-K174 PolarHBondContact OD1-NZ 3.26Å; D37-K174 IonicContact OD2-NZ 2.76Å
38	A	95.9	Very high	97.9	Very high	64 Å²	64	69 Å²	69	53%	0.529	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	150.3	171.7	0	0	0	0	0	110.8	Y41	A38-Y41 HydrophobicContact CB-CE1 3.78Å; A38-Y41 HydrophobicContact CB-CE2 4.16Å; A38-Y41 WeakPolarHBondContact CB-OH 3.35Å
39	P	96.3	Very high	97.8	Very high	109 Å²	109	71.2 Å²	71.2	71%	0.708	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86	-12.7	2.3	34.4	-35	0	0	0	114.2	Y41	P39-Y41 WeakPolarHBondContact O-CD2 3.46Å; P39-Y41 WeakPolarHBondContact O-CE2 3.17Å
40	D	97.6	Very high	97.8	Very high	139 Å²	139	67.7 Å²	67.7	74%	0.743	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-29.9	-167.4	-61.1	-27.1	0	0	0	113	D37 D42	D37-D40 PolarHBondContact O-N 3.09Å; D40-D42 PolarHBondContact O-N 2.8Å
41	Y	97.4	Very high	97.8	Very high	68 Å²	68	73.1 Å²	73.1	27%	0.267	38%	0.38	S	S	.	.			trans	48.5	45.9	-178.1	-58.9	-72.7	0	0	0	112.9	M35 D37 A38 P39 R43 K174 M175	M35-Y41 HydrophobicContact SD-CD1 4.26Å; D37-Y41 PolarHBondContact O-N 2.83Å; A38-Y41 HydrophobicContact CB-CE1 3.78Å; A38-Y41 HydrophobicContact CB-CE2 4.16Å; A38-Y41 WeakPolarHBondContact CB-OH 3.35Å; P39-Y41 WeakPolarHBondContact O-CD2 3.46Å; P39-Y41 WeakPolarHBondContact O-CE2 3.17Å; Y41-R43 VanDerWaalsContact O-CG 3.28Å; Y41-R43 WeakPolarHBondContact O-CG 3.33Å; Y41-R43 PolarHBondContact O-N 3.03Å; Y41-K174 HydrophobicContact CD1-CB 4.08Å; Y41-K174 HydrophobicContact CE1-CB 4.08Å; Y41-M175 HydrophobicContact CD1-CG 3.5Å; Y41-M175 VanDerWaalsContact CD1-CG 3.5Å; Y41-M175 HydrophobicContact CD2-CE 4.34Å; Y41-M175 HydrophobicContact CD2-CG 3.85Å; Y41-M175 HydrophobicContact CD2-SD 4.36Å; Y41-M175 HydrophobicContact CE1-CB 4.46Å; Y41-M175 HydrophobicContact CE1-CG 3.75Å; Y41-M175 HydrophobicContact CE2-CG 4.09Å; Y41-M175 HydrophobicContact CG-CG 3.53Å; Y41-M175 HydrophobicContact CG-SD 4.17Å
42	D	98.3	Very high	97.8	Very high	74 Å²	74	77.5 Å²	77.5	40%	0.396	40%	0.399	S	S	.	.			trans	-48.7	132.5	-172.6	175.9	47.2	0	0	0	112.4	M35 G36 D40 S44	M35-D42 CarbonylContact C-O 3.46Å; M35-D42 WeakPolarHBondContact CA-O 3.45Å; G36-D42 PolarHBondContact N-O 2.85Å; D40-D42 PolarHBondContact O-N 2.8Å; D42-S44 VanDerWaalsContact OD1-CB 3.24Å; D42-S44 WeakPolarHBondContact OD1-CB 3.41Å; D42-S44 PolarHBondContact OD1-N 2.8Å; D42-S44 PolarHBondContact OD1-OG 2.93Å; D42-S44 WeakPolarHBondContact OD2-CB 3.15Å; D42-S44 PolarHBondContact OD2-N 2.89Å; D42-S44 PolarHBondContact OD2-OG 2.91Å
43	R	98.4	Very high	97.8	Very high	108 Å²	108	75.5 Å²	75.5	41%	0.408	39%	0.392	S	S	.	.			trans	-116.2	10.6	-179.8	-57.3	-172.4	-171.9	177	-0.3	111.8	W8 M35 Y41 Q45 W46 L47 M175	W8-R43 HydrophobicContact CH2-CB 4Å; W8-R43 HydrophobicContact CH2-CG 4.18Å; M35-R43 HydrophobicContact CE-CG 4.4Å; Y41-R43 VanDerWaalsContact O-CG 3.28Å; Y41-R43 WeakPolarHBondContact O-CG 3.33Å; Y41-R43 PolarHBondContact O-N 3.03Å; R43-Q45 PolarHBondContact O-N 3.27Å; R43-W46 PolarHBondContact O-N 3.18Å; R43-L47 HydrophobicContact CB-CD1 3.87Å; R43-L47 HydrophobicContact CB-CG 4.03Å; R43-L47 WeakPolarHBondContact O-CG 3.37Å; R43-L47 PolarHBondContact O-N 2.83Å; R43-M175 PolarHBondContact NH2-SD 3.11Å
44	S	98.4	Very high	97.8	Very high	39 Å²	39	77.8 Å²	77.8	27%	0.273	42%	0.415	S	S	.	.	H	α-helix	trans	-54.8	-38.6	-172.7	68.5	0	0	0	0	112.7	D42 W46 L47 N48	D42-S44 VanDerWaalsContact OD1-CB 3.24Å; D42-S44 WeakPolarHBondContact OD1-CB 3.41Å; D42-S44 PolarHBondContact OD1-N 2.8Å; D42-S44 PolarHBondContact OD1-OG 2.93Å; D42-S44 WeakPolarHBondContact OD2-CB 3.15Å; D42-S44 PolarHBondContact OD2-N 2.89Å; D42-S44 PolarHBondContact OD2-OG 2.91Å; S44-W46 PolarHBondContact O-N 2.95Å; S44-L47 PolarHBondContact O-N 2.81Å; S44-N48 WeakPolarHBondContact O-CB 3.36Å; S44-N48 PolarHBondContact O-N 3.07Å; S44-N48 PolarHBondContact O-ND2 3.32Å
45	Q	98.3	Very high	97.8	Very high	88 Å²	88	75.5 Å²	75.5	41%	0.411	40%	0.401	S	S	.	.	H	α-helix	trans	-52.6	-43.4	177.6	-67	-166.6	5.3	0	0	112.3	Y33 R43	Y33-Q45 HydrophobicContact CD1-CB 4.09Å; Y33-Q45 WeakPolarHBondContact CD1-O 3.39Å; Y33-Q45 WeakPolarHBondContact CE1-O 3.38Å; R43-Q45 PolarHBondContact O-N 3.27Å
46	W	98.5	Very high	97.8	Very high	13 Å²	13	81.2 Å²	81.2	5%	0.049	43%	0.432	C	S	.	.	H	α-helix	trans	-79.8	-49.7	175.7	168.5	-135.5	0	0	0	111.8	W8 Y33 R43 S44 N48 E49 K50 L53 L55 L60 Y62	W8-W46 HydrophobicContact CH2-CB 3.44Å; W8-W46 VanDerWaalsContact CH2-CB 3.44Å; W8-W46 AromaticContact CH2-CD1 3.96Å; W8-W46 HydrophobicContact CH2-CG 4.04Å; W8-W46 HydrophobicContact CZ2-CB 4.04Å; W8-W46 AromaticContact CZ2-CD1 3.71Å; W8-W46 HydrophobicContact CZ2-CG 4.14Å; W8-W46 HydrophobicContact CZ3-CB 3.98Å; Y33-W46 HydrophobicContact CD1-CB 3.95Å; Y33-W46 HydrophobicContact CD2-CE3 4.41Å; Y33-W46 HydrophobicContact CE1-CB 4.41Å; Y33-W46 AromaticContact CE1-CE3 3.99Å; Y33-W46 HydrophobicContact CE1-CE3 3.99Å; Y33-W46 AromaticContact CE2-CE3 3.86Å; Y33-W46 HydrophobicContact CE2-CE3 3.86Å; Y33-W46 HydrophobicContact CE2-CZ3 4.31Å; Y33-W46 HydrophobicContact CG-CB 4.04Å; Y33-W46 AromaticContact CZ-CE3 3.61Å; R43-W46 PolarHBondContact O-N 3.18Å; S44-W46 PolarHBondContact O-N 2.95Å; W46-N48 PolarHBondContact O-N 2.85Å; W46-E49 PolarHBondContact O-N 2.88Å; W46-K50 HydrophobicContact CD2-CB 4.08Å; W46-K50 HydrophobicContact CE3-CB 4.21Å; W46-K50 HydrophobicContact CH2-CB 3.96Å; W46-K50 HydrophobicContact CH2-CG 3.94Å; W46-K50 HydrophobicContact CZ2-CB 3.79Å; W46-K50 HydrophobicContact CZ2-CD 3.93Å; W46-K50 HydrophobicContact CZ2-CG 3.48Å; W46-K50 VanDerWaalsContact CZ2-CG 3.48Å; W46-K50 HydrophobicContact CZ3-CB 4.16Å; W46-K50 PolarHBondContact O-N 3.05Å; W46-L53 HydrophobicContact CH2-CD1 4.34Å; W46-L53 HydrophobicContact CZ3-CD1 3.76Å; W46-L55 HydrophobicContact CH2-CD1 4.22Å; W46-L60 HydrophobicContact CB-CD1 4.35Å; W46-L60 HydrophobicContact CD2-CD1 3.76Å; W46-L60 HydrophobicContact CD2-CD2 4.21Å; W46-L60 HydrophobicContact CD2-CG 3.96Å; W46-L60 HydrophobicContact CE3-CD1 4.4Å; W46-L60 HydrophobicContact CE3-CD2 4.12Å; W46-L60 HydrophobicContact CE3-CG 4.37Å; W46-L60 HydrophobicContact CG-CD1 3.71Å; W46-L60 HydrophobicContact CG-CG 4.41Å; W46-L60 HydrophobicContact CH2-CD2 4.15Å; W46-L60 HydrophobicContact CH2-CG 4.3Å; W46-L60 HydrophobicContact CZ2-CD2 4.24Å; W46-L60 HydrophobicContact CZ2-CG 3.88Å; W46-L60 HydrophobicContact CZ3-CD2 4.09Å; W46-Y62 HydrophobicContact CH2-CD1 4.15Å; W46-Y62 HydrophobicContact CH2-CE1 4.18Å; W46-Y62 HydrophobicContact CZ3-CD1 4.2Å; W46-Y62 AromaticContact CZ3-CE1 3.76Å; W46-Y62 HydrophobicContact CZ3-CE1 3.76Å
47	L	98.3	Very high	97.9	Very high	95 Å²	95	87.8 Å²	87.8	50%	0.497	46%	0.455	S	S	.	.	H	α-helix	trans	-62.1	-29.9	-172.3	-65.6	178.8	0	0	0	112.8	R43 S44 E49 K50	R43-L47 HydrophobicContact CB-CD1 3.87Å; R43-L47 HydrophobicContact CB-CG 4.03Å; R43-L47 WeakPolarHBondContact O-CG 3.37Å; R43-L47 PolarHBondContact O-N 2.83Å; S44-L47 PolarHBondContact O-N 2.81Å; L47-E49 VanDerWaalsContact C-N 3.31Å; L47-E49 PolarHBondContact O-N 2.87Å; L47-K50 HydrophobicContact CD2-CD 4.32Å
48	N	98.1	Very high	97.9	Very high	99 Å²	99	83.8 Å²	83.8	53%	0.529	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-23.8	177.5	-70.1	-17.3	0	0	0	113.5	S44 W46 K52	S44-N48 WeakPolarHBondContact O-CB 3.36Å; S44-N48 PolarHBondContact O-N 3.07Å; S44-N48 PolarHBondContact O-ND2 3.32Å; W46-N48 PolarHBondContact O-N 2.85Å; N48-K52 WeakPolarHBondContact O-CD 3.26Å; N48-K52 WeakPolarHBondContact O-CE 3.3Å; N48-K52 PolarHBondContact O-NZ 3.42Å
49	E	95.9	Very high	98.1	Very high	65 Å²	65	83.9 Å²	83.9	30%	0.304	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-21.1	-179.7	-67.3	-175.6	-155.7	0	0	112.9	K31 Y33 W46 L47 F51 K52	K31-E49 VanDerWaalsContact CE-OE2 3.24Å; K31-E49 WeakPolarHBondContact CE-OE2 3.46Å; K31-E49 IonicContact NZ-OE1 3.61Å; K31-E49 PolarHBondContact NZ-OE1 3.17Å; K31-E49 IonicContact NZ-OE2 3.76Å; K31-E49 PolarHBondContact NZ-OE2 2.9Å; Y33-E49 PolarHBondContact OH-OE2 3.37Å; W46-E49 PolarHBondContact O-N 2.88Å; L47-E49 VanDerWaalsContact C-N 3.31Å; L47-E49 PolarHBondContact O-N 2.87Å; E49-F51 VanDerWaalsContact C-N 3.3Å; E49-F51 PolarHBondContact O-N 3.32Å; E49-K52 WeakPolarHBondContact O-CB 3.21Å; E49-K52 PolarHBondContact O-N 2.75Å
50	K	97.9	Very high	98.2	Very high	53 Å²	53	79.4 Å²	79.4	23%	0.23	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.3	-49.9	-171.6	176.6	170.9	-177	-179.2	0	114.7	W46 L47 P58	W46-K50 HydrophobicContact CD2-CB 4.08Å; W46-K50 HydrophobicContact CE3-CB 4.21Å; W46-K50 HydrophobicContact CH2-CB 3.96Å; W46-K50 HydrophobicContact CH2-CG 3.94Å; W46-K50 HydrophobicContact CZ2-CB 3.79Å; W46-K50 HydrophobicContact CZ2-CD 3.93Å; W46-K50 HydrophobicContact CZ2-CG 3.48Å; W46-K50 VanDerWaalsContact CZ2-CG 3.48Å; W46-K50 HydrophobicContact CZ3-CB 4.16Å; W46-K50 PolarHBondContact O-N 3.05Å; L47-K50 HydrophobicContact CD2-CD 4.32Å; K50-P58 HydrophobicContact CD-CB 4.46Å; K50-P58 WeakPolarHBondContact CE-O 3.23Å; K50-P58 HydrophobicContact CG-CB 3.67Å; K50-P58 WeakPolarHBondContact O-CB 3.45Å
51	F	98.4	Very high	98.2	Very high	157 Å²	157	72.9 Å²	72.9	69%	0.689	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	7.4	-175.8	-59.9	-76.2	0	0	0	114.1	E49 P58	E49-F51 VanDerWaalsContact C-N 3.3Å; E49-F51 PolarHBondContact O-N 3.32Å; F51-P58 HydrophobicContact CD1-CB 4.29Å; F51-P58 HydrophobicContact CD1-CG 3.87Å; F51-P58 HydrophobicContact CE1-CB 4.32Å; F51-P58 HydrophobicContact CE1-CG 4.12Å
52	K	98.3	Very high	98.3	Very high	167 Å²	167	69.8 Å²	69.8	73%	0.726	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-6.7	-176.6	-59.8	177.3	-176.2	160.8	0	113.5	N48 E49	N48-K52 WeakPolarHBondContact O-CD 3.26Å; N48-K52 WeakPolarHBondContact O-CE 3.3Å; N48-K52 PolarHBondContact O-NZ 3.42Å; E49-K52 WeakPolarHBondContact O-CB 3.21Å; E49-K52 PolarHBondContact O-N 2.75Å
53	L	97.9	Very high	98.3	Very high	37 Å²	37	66.3 Å²	66.3	19%	0.194	33%	0.331	C	S	.	.	S	Bend	trans	-87.8	-5.9	-176.3	-62.2	174.5	0	0	0	113.7	W46 L55 Y62 K69	W46-L53 HydrophobicContact CH2-CD1 4.34Å; W46-L53 HydrophobicContact CZ3-CD1 3.76Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 HydrophobicContact CB-CD1 4.34Å; L53-L55 HydrophobicContact CB-CG 4Å; L53-L55 HydrophobicContact CD1-CD1 4.32Å; L53-L55 PolarHBondContact O-N 2.96Å; L53-Y62 HydrophobicContact CD1-CD1 4.22Å; L53-Y62 HydrophobicContact CD1-CE1 3.53Å; L53-Y62 HydrophobicContact CD1-CE2 4.3Å; L53-K69 WeakPolarHBondContact O-CD 3.33Å; L53-K69 WeakPolarHBondContact O-CE 3.49Å
54	G	98.2	Very high	98.3	Very high	49 Å²	49	62.6 Å²	62.6	51%	0.505	32%	0.319	S	S	.	.			trans	69.5	25.4	-178.2	0	0	0	0	0	114.2	K69	G54-K69 WeakPolarHBondContact O-CD 3.42Å
55	L	98.6	Very high	98.4	Very high	13 Å²	13	62 Å²	62	7%	0.068	31%	0.312	C	S	.	.			trans	-73.9	135.2	173.2	-54.5	173.1	0	0	0	109.5	W46 L53 F57 P58 Y62 K69 T71	W46-L55 HydrophobicContact CH2-CD1 4.22Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 HydrophobicContact CB-CD1 4.34Å; L53-L55 HydrophobicContact CB-CG 4Å; L53-L55 HydrophobicContact CD1-CD1 4.32Å; L53-L55 PolarHBondContact O-N 2.96Å; L55-F57 VanDerWaalsContact C-N 3.35Å; L55-F57 PolarHBondContact O-N 3.37Å; L55-P58 HydrophobicContact CB-CB 4.44Å; L55-P58 HydrophobicContact CB-CG 4.22Å; L55-P58 HydrophobicContact CD1-CB 4.48Å; L55-P58 WeakPolarHBondContact O-CD 3.48Å; L55-Y62 HydrophobicContact CD1-CD1 3.99Å; L55-Y62 HydrophobicContact CD1-CG 4.09Å; L55-Y62 HydrophobicContact CD2-CG 4.38Å; L55-K69 HydrophobicContact CD2-CB 4.05Å; L55-T71 HydrophobicContact CB-CG2 4.24Å; L55-T71 HydrophobicContact CD1-CG2 3.93Å; L55-T71 HydrophobicContact CD2-CG2 4.15Å; L55-T71 HydrophobicContact CG-CG2 4.32Å
56	D	98.6	Very high	98.3	Very high	134 Å²	134	60.4 Å²	60.4	72%	0.717	32%	0.32	S	S	*	.	S	Bend	trans	-63	-42.4	177.3	-60.4	-59.2	0	0	0	111.8
57	F	98.6	Very high	98.2	Very high	158 Å²	158	64 Å²	64	69%	0.693	35%	0.352	S	S	*	.	S	Bend	trans	-124.5	82.1	176	-58.1	-77.9	0	0	0	110.3	L55 N59 T71	L55-F57 VanDerWaalsContact C-N 3.35Å; L55-F57 PolarHBondContact O-N 3.37Å; F57-N59 PolarHBondContact O-N 3.39Å; F57-T71 WeakPolarHBondContact O-CG2 3.25Å; F57-T71 PolarHBondContact O-OG1 3.49Å
58	P	98.7	Very high	98.2	Very high	30 Å²	30	64.6 Å²	64.6	20%	0.195	35%	0.352	C	S	.	.			trans	-54.6	111.3	-171.6	-29.1	36.2	0	0	0	114.5	K50 F51 L55	K50-P58 HydrophobicContact CD-CB 4.46Å; K50-P58 WeakPolarHBondContact CE-O 3.23Å; K50-P58 HydrophobicContact CG-CB 3.67Å; K50-P58 WeakPolarHBondContact O-CB 3.45Å; F51-P58 HydrophobicContact CD1-CB 4.29Å; F51-P58 HydrophobicContact CD1-CG 3.87Å; F51-P58 HydrophobicContact CE1-CB 4.32Å; F51-P58 HydrophobicContact CE1-CG 4.12Å; L55-P58 HydrophobicContact CB-CB 4.44Å; L55-P58 HydrophobicContact CB-CG 4.22Å; L55-P58 HydrophobicContact CD1-CB 4.48Å; L55-P58 WeakPolarHBondContact O-CD 3.48Å
59	N	98.8	Very high	98.3	Very high	67 Å²	67	64 Å²	64	36%	0.358	35%	0.345	S	S	.	.			trans	-152.6	168.8	-176.3	-152.8	0	0	0	0	112.1	F57 T71	F57-N59 PolarHBondContact O-N 3.39Å; N59-T71 HydrophobicContact CB-CG2 4.41Å
60	L	98.7	Very high	98.4	Very high	14 Å²	14	62.2 Å²	62.2	7%	0.073	34%	0.338	C	S	.	.	S	Bend	trans	-116.8	135.6	170.2	-66.8	172.9	0	0	0	109.1	Y7 W8 Y33 W46 Y62	Y7-L60 HydrophobicContact CD2-CB 3.86Å; Y7-L60 HydrophobicContact CE2-CB 4.16Å; W8-L60 HydrophobicContact CD2-CD1 3.95Å; W8-L60 VanDerWaalsContact CE2-CD1 3.49Å; W8-L60 HydrophobicContact CG-CD1 4.25Å; W8-L60 HydrophobicContact CZ2-CD1 3.81Å; Y33-L60 HydrophobicContact CD2-CD1 4.15Å; Y33-L60 HydrophobicContact CD2-CD2 3.92Å; Y33-L60 HydrophobicContact CE2-CD2 3.77Å; W46-L60 HydrophobicContact CB-CD1 4.35Å; W46-L60 HydrophobicContact CD2-CD1 3.76Å; W46-L60 HydrophobicContact CD2-CD2 4.21Å; W46-L60 HydrophobicContact CD2-CG 3.96Å; W46-L60 HydrophobicContact CE3-CD1 4.4Å; W46-L60 HydrophobicContact CE3-CD2 4.12Å; W46-L60 HydrophobicContact CE3-CG 4.37Å; W46-L60 HydrophobicContact CG-CD1 3.71Å; W46-L60 HydrophobicContact CG-CG 4.41Å; W46-L60 HydrophobicContact CH2-CD2 4.15Å; W46-L60 HydrophobicContact CH2-CG 4.3Å; W46-L60 HydrophobicContact CZ2-CD2 4.24Å; W46-L60 HydrophobicContact CZ2-CG 3.88Å; W46-L60 HydrophobicContact CZ3-CD2 4.09Å; L60-Y62 HydrophobicContact CD2-CD1 3.65Å; L60-Y62 HydrophobicContact CD2-CE1 3.73Å
61	P	98.8	Very high	98.4	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.013	33%	0.332	C	S	.	.	S	Bend	cis	-73	157	-3	30.7	-33.2	0	0	0	113.3	L5 G6 Y7 I17 I76	L5-P61 HydrophobicContact CD1-CB 4.31Å; G6-P61 VanDerWaalsContact O-CA 3.25Å; G6-P61 WeakPolarHBondContact O-CA 3.33Å; Y7-P61 HydrophobicContact CD2-CB 3.6Å; Y7-P61 HydrophobicContact CD2-CG 4.22Å; Y7-P61 HydrophobicContact CE2-CB 4.22Å; Y7-P61 HydrophobicContact CE2-CG 4.36Å; Y7-P61 HydrophobicContact CG-CB 4.29Å; I17-P61 HydrophobicContact CD1-CB 4.06Å; I17-P61 HydrophobicContact CD1-CG 3.7Å; P61-I76 HydrophobicContact CB-CD1 4.11Å; P61-I76 HydrophobicContact CG-CD1 4.1Å
62	Y	98.9	Very high	98.5	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.016	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.3	164.3	67.6	-105	0	0	0	111	I4 L5 G6 K31 Y33 W46 L53 L55 L60 I64 I70	I4-Y62 HydrophobicContact CG2-CE2 4.36Å; L5-Y62 WeakPolarHBondContact CD1-O 3.39Å; G6-Y62 VanDerWaalsContact CA-CZ 3.46Å; G6-Y62 PolarHBondContact N-O 3.28Å; G6-Y62 PolarHBondContact O-N 3.02Å; K31-Y62 WeakPolarHBondContact CG-OH 3.15Å; Y33-Y62 AromaticContact CE2-CE1 3.86Å; Y33-Y62 HydrophobicContact CE2-CE1 3.86Å; Y33-Y62 PolarHBondContact OH-OH 2.95Å; W46-Y62 HydrophobicContact CH2-CD1 4.15Å; W46-Y62 HydrophobicContact CH2-CE1 4.18Å; W46-Y62 HydrophobicContact CZ3-CD1 4.2Å; W46-Y62 AromaticContact CZ3-CE1 3.76Å; W46-Y62 HydrophobicContact CZ3-CE1 3.76Å; L53-Y62 HydrophobicContact CD1-CD1 4.22Å; L53-Y62 HydrophobicContact CD1-CE1 3.53Å; L53-Y62 HydrophobicContact CD1-CE2 4.3Å; L55-Y62 HydrophobicContact CD1-CD1 3.99Å; L55-Y62 HydrophobicContact CD1-CG 4.09Å; L55-Y62 HydrophobicContact CD2-CG 4.38Å; L60-Y62 HydrophobicContact CD2-CD1 3.65Å; L60-Y62 HydrophobicContact CD2-CE1 3.73Å; Y62-I64 HydrophobicContact CD2-CD1 4.23Å; Y62-I64 HydrophobicContact CD2-CG1 4Å; Y62-I64 HydrophobicContact CE2-CD1 4.02Å; Y62-I64 HydrophobicContact CE2-CG1 4.21Å; Y62-I70 CarbonylContact C-O 3.52Å; Y62-I70 WeakPolarHBondContact CA-O 3.22Å
63	L	98.9	Very high	98.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.5	169	-172.3	76.8	0	0	0	109.2	M3 I4 L5 L21 I70 I76 Y79 I80	M3-L63 HydrophobicContact CB-CD1 4.24Å; M3-L63 HydrophobicContact SD-CD2 4.31Å; I4-L63 CarbonylContact O-C 3.48Å; I4-L63 WeakPolarHBondContact O-CA 3.37Å; L5-L63 HydrophobicContact CB-CD1 4.26Å; L21-L63 HydrophobicContact CD1-CD1 4.5Å; L63-I70 PolarHBondContact N-O 3.19Å; L63-I70 PolarHBondContact O-N 3.46Å; L63-I76 HydrophobicContact CB-CD1 4.2Å; L63-I76 HydrophobicContact CB-CG1 4.03Å; L63-I76 HydrophobicContact CB-CG2 3.82Å; L63-I76 HydrophobicContact CD2-CG2 4.01Å; L63-I76 HydrophobicContact CG-CG2 4.4Å; L63-Y79 HydrophobicContact CD2-CD1 3.78Å; L63-Y79 HydrophobicContact CD2-CE1 3.95Å; L63-I80 HydrophobicContact CD2-CD1 4.23Å; L63-I80 HydrophobicContact CD2-CG1 4.07Å
64	I	98.8	Very high	98.5	Very high	31 Å²	31	50.9 Å²	50.9	16%	0.159	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.5	170.2	-59.4	175.2	0	0	0	108.4	M3 I4 Y62 H68 K69	M3-I64 CarbonylContact C-O 3.52Å; M3-I64 VanDerWaalsContact CA-O 3.3Å; M3-I64 WeakPolarHBondContact CA-O 3.42Å; I4-I64 HydrophobicContact CB-CB 4.33Å; I4-I64 PolarHBondContact N-O 3.29Å; I4-I64 PolarHBondContact O-N 2.97Å; Y62-I64 HydrophobicContact CD2-CD1 4.23Å; Y62-I64 HydrophobicContact CD2-CG1 4Å; Y62-I64 HydrophobicContact CE2-CD1 4.02Å; Y62-I64 HydrophobicContact CE2-CG1 4.21Å; I64-H68 WeakPolarHBondContact CA-O 3.37Å; I64-K69 HydrophobicContact CG1-CG 4.43Å
65	D	98.4	Very high	98.5	Very high	25 Å²	25	50.6 Å²	50.6	13%	0.134	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	94.7	177.3	-176.2	12.1	0	0	0	109.2	M3 A67 H68 Y79 K83	M3-D65 HydrophobicContact CG-CB 3.73Å; M3-D65 WeakPolarHBondContact CG-OD1 3.38Å; M3-D65 HydrophobicContact SD-CB 3.95Å; D65-A67 PolarHBondContact O-N 3.44Å; D65-A67 VanDerWaalsContact O-N 3.11Å; D65-H68 PolarHBondContact N-O 3.14Å; D65-H68 WeakPolarHBondContact O-CB 3.24Å; D65-H68 PolarHBondContact O-N 2.81Å; D65-Y79 HydrophobicContact CB-CE1 4.13Å; D65-Y79 PolarHBondContact OD2-OH 2.86Å; D65-K83 IonicContact OD1-NZ 3.15Å; D65-K83 IonicContact OD2-NZ 3.05Å; D65-K83 PolarHBondContact OD2-NZ 3.28Å
66	G	97.1	Very high	98.6	Very high	56 Å²	56	50 Å²	50	58%	0.577	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	-115.2	-172.7	0	0	0	0	0	111.8
67	A	97.3	Very high	98.5	Very high	87 Å²	87	45.3 Å²	45.3	72%	0.719	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-20	178.1	0	0	0	0	0	113.2	D65	D65-A67 PolarHBondContact O-N 3.44Å; D65-A67 VanDerWaalsContact O-N 3.11Å
68	H	98.4	Very high	98.5	Very high	108 Å²	108	39.6 Å²	39.6	50%	0.5	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.5	-176.2	-58.1	-56.4	0	0	0	110.9	I64 D65 I70 Y79	I64-H68 WeakPolarHBondContact CA-O 3.37Å; D65-H68 PolarHBondContact N-O 3.14Å; D65-H68 WeakPolarHBondContact O-CB 3.24Å; D65-H68 PolarHBondContact O-N 2.81Å; H68-I70 HydrophobicContact CB-CD1 4.42Å; H68-I70 HydrophobicContact CB-CG1 4.49Å; H68-Y79 PolarHBondContact CD2-OH 3.18Å
69	K	98.6	Very high	98.5	Very high	86 Å²	86	40 Å²	40	37%	0.374	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	109.6	-179.8	-65.4	-173.9	-172.5	81.2	0	108.5	L53 G54 L55 I64	L53-K69 WeakPolarHBondContact O-CD 3.33Å; L53-K69 WeakPolarHBondContact O-CE 3.49Å; G54-K69 WeakPolarHBondContact O-CD 3.42Å; L55-K69 HydrophobicContact CD2-CB 4.05Å; I64-K69 HydrophobicContact CG1-CG 4.43Å
70	I	98.9	Very high	98.5	Very high	29 Å²	29	36.9 Å²	36.9	15%	0.149	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.9	-165	-49.6	171.6	0	0	0	109	Y62 L63 H68 A75 I76 Y79	Y62-I70 CarbonylContact C-O 3.52Å; Y62-I70 WeakPolarHBondContact CA-O 3.22Å; L63-I70 PolarHBondContact N-O 3.19Å; L63-I70 PolarHBondContact O-N 3.46Å; H68-I70 HydrophobicContact CB-CD1 4.42Å; H68-I70 HydrophobicContact CB-CG1 4.49Å; I70-A75 HydrophobicContact CG2-CB 4.16Å; I70-I76 HydrophobicContact CB-CG1 4.17Å; I70-I76 HydrophobicContact CG2-CG1 3.77Å; I70-Y79 HydrophobicContact CD1-CD1 3.53Å; I70-Y79 HydrophobicContact CD1-CD2 3.44Å; I70-Y79 VanDerWaalsContact CD1-CD2 3.44Å; I70-Y79 HydrophobicContact CD1-CE1 3.97Å; I70-Y79 HydrophobicContact CD1-CE2 3.88Å; I70-Y79 HydrophobicContact CD1-CG 3.25Å
71	T	98.8	Very high	98.4	Very high	18 Å²	18	36.8 Å²	36.8	11%	0.11	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	170.5	171.7	53.8	0	0	0	0	109.7	L55 F57 N59	L55-T71 HydrophobicContact CB-CG2 4.24Å; L55-T71 HydrophobicContact CD1-CG2 3.93Å; L55-T71 HydrophobicContact CD2-CG2 4.15Å; L55-T71 HydrophobicContact CG-CG2 4.32Å; F57-T71 WeakPolarHBondContact O-CG2 3.25Å; F57-T71 PolarHBondContact O-OG1 3.49Å; N59-T71 HydrophobicContact CB-CG2 4.41Å
72	Q	98.8	Very high	98.3	Very high	111 Å²	111	43.9 Å²	43.9	52%	0.519	25%	0.245	S	C	.	.	S	Bend	trans	75	121.8	-169.1	-54.8	-67.5	-8.5	0	0	112.4	N74 A75 I76	Q72-N74 VanDerWaalsContact C-N 3.31Å; Q72-N74 PolarHBondContact O-N 2.84Å; Q72-A75 HydrophobicContact CB-CB 4.09Å; Q72-A75 PolarHBondContact O-N 3.29Å; Q72-A75 VanDerWaalsContact O-N 3.17Å; Q72-I76 WeakPolarHBondContact O-CG1 3.47Å; Q72-I76 PolarHBondContact O-N 3.04Å
73	S	98.7	Very high	98.2	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-42.3	-173	52.2	0	0	0	0	112.9	I76 L77	S73-I76 PolarHBondContact O-N 2.9Å; S73-L77 WeakPolarHBondContact O-CG 3.4Å; S73-L77 PolarHBondContact O-N 2.75Å
74	N	98.4	Very high	98	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.203	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-40.6	179.8	-73	11.9	0	0	0	111.6	Q72 I76 L77 C78 E101 M105	Q72-N74 VanDerWaalsContact C-N 3.31Å; Q72-N74 PolarHBondContact O-N 2.84Å; N74-I76 VanDerWaalsContact C-N 3.33Å; N74-I76 PolarHBondContact O-N 3.34Å; N74-L77 PolarHBondContact O-N 3.2Å; N74-C78 VanDerWaalsContact O-CB 3.28Å; N74-C78 WeakPolarHBondContact O-CB 3.32Å; N74-C78 PolarHBondContact O-N 2.76Å; N74-C78 PolarHBondContact O-SG 2.91Å; N74-C78 VanDerWaalsContact O-SG 3.39Å; N74-E101 HydrophobicContact CB-CG 4.34Å; N74-E101 WeakPolarHBondContact CB-OE1 3.46Å; N74-E101 VanDerWaalsContact ND2-CG 3.26Å; N74-E101 WeakPolarHBondContact ND2-CG 3.42Å; N74-M105 WeakPolarHBondContact OD1-CE 3.4Å
75	A	98.8	Very high	97.7	Very high	42 Å²	42	57 Å²	57	35%	0.347	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-39	175.1	0	0	0	0	0	112.1	I70 Q72 Y79	I70-A75 HydrophobicContact CG2-CB 4.16Å; Q72-A75 HydrophobicContact CB-CB 4.09Å; Q72-A75 PolarHBondContact O-N 3.29Å; Q72-A75 VanDerWaalsContact O-N 3.17Å; A75-Y79 WeakPolarHBondContact O-CB 3.31Å; A75-Y79 PolarHBondContact O-N 3.01Å
76	I	98.9	Very high	97.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-47	174.4	-65.1	166.4	0	0	0	110.8	I17 P61 L63 I70 Q72 S73 N74 Y79 I80	I17-I76 HydrophobicContact CD1-CB 4.01Å; I17-I76 HydrophobicContact CD1-CD1 4.06Å; I17-I76 HydrophobicContact CD1-CG2 3.82Å; I17-I76 HydrophobicContact CG1-CB 4.48Å; I17-I76 HydrophobicContact CG1-CG2 4.03Å; I17-I76 HydrophobicContact CG2-CG2 3.72Å; P61-I76 HydrophobicContact CB-CD1 4.11Å; P61-I76 HydrophobicContact CG-CD1 4.1Å; L63-I76 HydrophobicContact CB-CD1 4.2Å; L63-I76 HydrophobicContact CB-CG1 4.03Å; L63-I76 HydrophobicContact CB-CG2 3.82Å; L63-I76 HydrophobicContact CD2-CG2 4.01Å; L63-I76 HydrophobicContact CG-CG2 4.4Å; I70-I76 HydrophobicContact CB-CG1 4.17Å; I70-I76 HydrophobicContact CG2-CG1 3.77Å; Q72-I76 WeakPolarHBondContact O-CG1 3.47Å; Q72-I76 PolarHBondContact O-N 3.04Å; S73-I76 PolarHBondContact O-N 2.9Å; N74-I76 VanDerWaalsContact C-N 3.33Å; N74-I76 PolarHBondContact O-N 3.34Å; I76-Y79 WeakPolarHBondContact O-CB 3.45Å; I76-Y79 PolarHBondContact O-N 2.79Å; I76-I80 HydrophobicContact CG2-CD1 3.86Å; I76-I80 WeakPolarHBondContact O-CG1 3.15Å; I76-I80 PolarHBondContact O-N 2.88Å
77	L	98.5	Very high	97.2	Very high	37 Å²	37	58.8 Å²	58.8	19%	0.194	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-48.3	176.5	-73.2	170.1	0	0	0	111.4	A16 I17 L20 S73 N74 Y79 I80 A81	A16-L77 HydrophobicContact CB-CD1 4.08Å; A16-L77 HydrophobicContact CB-CD2 4.05Å; I17-L77 HydrophobicContact CB-CD2 4.45Å; I17-L77 HydrophobicContact CG1-CD2 3.87Å; I17-L77 HydrophobicContact CG1-CG 3.95Å; L20-L77 HydrophobicContact CB-CD2 4.29Å; L20-L77 HydrophobicContact CD2-CD2 3.75Å; S73-L77 WeakPolarHBondContact O-CG 3.4Å; S73-L77 PolarHBondContact O-N 2.75Å; N74-L77 PolarHBondContact O-N 3.2Å; L77-Y79 VanDerWaalsContact C-N 3.32Å; L77-Y79 PolarHBondContact O-N 3.25Å; L77-I80 PolarHBondContact O-N 3.45Å; L77-A81 VanDerWaalsContact O-CB 3.27Å; L77-A81 WeakPolarHBondContact O-CB 3.34Å; L77-A81 PolarHBondContact O-N 3.44Å
78	C	98.1	Very high	96.9	Very high	37 Å²	37	55.2 Å²	55.2	25%	0.25	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-41.1	176	-81.6	0	0	0	0	112.7	N74 R82	N74-C78 VanDerWaalsContact O-CB 3.28Å; N74-C78 WeakPolarHBondContact O-CB 3.32Å; N74-C78 PolarHBondContact O-N 2.76Å; N74-C78 PolarHBondContact O-SG 2.91Å; N74-C78 VanDerWaalsContact O-SG 3.39Å; C78-R82 WeakPolarHBondContact O-CB 3.31Å; C78-R82 WeakPolarHBondContact O-CG 3.47Å; C78-R82 PolarHBondContact O-N 2.84Å
79	Y	98.6	Very high	96.6	Very high	38 Å²	38	55.4 Å²	55.4	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-51	176.4	171	-100.2	0	0	0	111.8	L63 D65 H68 I70 A75 I76 L77 R82 K83	L63-Y79 HydrophobicContact CD2-CD1 3.78Å; L63-Y79 HydrophobicContact CD2-CE1 3.95Å; D65-Y79 HydrophobicContact CB-CE1 4.13Å; D65-Y79 PolarHBondContact OD2-OH 2.86Å; H68-Y79 PolarHBondContact CD2-OH 3.18Å; I70-Y79 HydrophobicContact CD1-CD1 3.53Å; I70-Y79 HydrophobicContact CD1-CD2 3.44Å; I70-Y79 VanDerWaalsContact CD1-CD2 3.44Å; I70-Y79 HydrophobicContact CD1-CE1 3.97Å; I70-Y79 HydrophobicContact CD1-CE2 3.88Å; I70-Y79 HydrophobicContact CD1-CG 3.25Å; A75-Y79 WeakPolarHBondContact O-CB 3.31Å; A75-Y79 PolarHBondContact O-N 3.01Å; I76-Y79 WeakPolarHBondContact O-CB 3.45Å; I76-Y79 PolarHBondContact O-N 2.79Å; L77-Y79 VanDerWaalsContact C-N 3.32Å; L77-Y79 PolarHBondContact O-N 3.25Å; Y79-R82 PolarHBondContact O-N 3.41Å; Y79-K83 PolarHBondContact O-N 3.05Å
80	I	98.1	Very high	96.5	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-44.7	178.9	-60	160.9	0	0	0	109.7	I17 L20 L21 T24 L63 I76 L77 R82 K83 H84	I17-I80 HydrophobicContact CG2-CD1 3.95Å; L20-I80 HydrophobicContact CD2-CB 3.81Å; L20-I80 HydrophobicContact CD2-CD1 4.49Å; L20-I80 HydrophobicContact CD2-CG2 3.77Å; L20-I80 HydrophobicContact CG-CB 4.35Å; L20-I80 HydrophobicContact CG-CG2 3.75Å; L21-I80 HydrophobicContact CD2-CD1 3.71Å; L21-I80 HydrophobicContact CD2-CG1 4.22Å; L21-I80 HydrophobicContact CG-CD1 3.91Å; T24-I80 HydrophobicContact CG2-CG2 4.22Å; L63-I80 HydrophobicContact CD2-CD1 4.23Å; L63-I80 HydrophobicContact CD2-CG1 4.07Å; I76-I80 HydrophobicContact CG2-CD1 3.86Å; I76-I80 WeakPolarHBondContact O-CG1 3.15Å; I76-I80 PolarHBondContact O-N 2.88Å; L77-I80 PolarHBondContact O-N 3.45Å; I80-R82 PolarHBondContact O-N 2.75Å; I80-K83 WeakPolarHBondContact O-CB 3.35Å; I80-K83 PolarHBondContact O-N 2.71Å; I80-K83 VanDerWaalsContact O-N 3.17Å; I80-H84 PolarHBondContact O-CD2 2.93Å; I80-H84 VanDerWaalsContact O-CD2 3.29Å; I80-H84 PolarHBondContact O-N 3.03Å
81	A	96.3	Very high	96.5	Very high	13 Å²	13	58.3 Å²	58.3	11%	0.107	30%	0.299	C	S	.	.	H	α-helix	trans	-58.7	-45.1	179.2	0	0	0	0	0	112.1	L77 K83 H84 N85 L86	L77-A81 VanDerWaalsContact O-CB 3.27Å; L77-A81 WeakPolarHBondContact O-CB 3.34Å; L77-A81 PolarHBondContact O-N 3.44Å; A81-K83 PolarHBondContact O-N 2.96Å; A81-H84 CarbonylContact O-C 3.55Å; A81-H84 PolarHBondContact O-N 3.34Å; A81-N85 PolarHBondContact O-N 3.16Å; A81-L86 HydrophobicContact CB-CB 4.14Å; A81-L86 PolarHBondContact O-N 3.14Å
82	R	97.4	Very high	96.4	Very high	151 Å²	151	63.4 Å²	63.4	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-63.4	-40.2	175.6	-75.2	-171	-62.8	-92.6	-0.6	112.8	C78 Y79 I80 H84 N85	C78-R82 WeakPolarHBondContact O-CB 3.31Å; C78-R82 WeakPolarHBondContact O-CG 3.47Å; C78-R82 PolarHBondContact O-N 2.84Å; Y79-R82 PolarHBondContact O-N 3.41Å; I80-R82 PolarHBondContact O-N 2.75Å; R82-H84 PolarHBondContact O-N 2.79Å; R82-H84 VanDerWaalsContact O-N 3.17Å; R82-N85 PolarHBondContact O-N 3.43Å
83	K	96.5	Very high	96.2	Very high	103 Å²	103	60 Å²	60	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-24.8	177.9	-170.3	176.3	-176.8	178.8	0	112.7	D65 Y79 I80 A81	D65-K83 IonicContact OD1-NZ 3.15Å; D65-K83 IonicContact OD2-NZ 3.05Å; D65-K83 PolarHBondContact OD2-NZ 3.28Å; Y79-K83 PolarHBondContact O-N 3.05Å; I80-K83 WeakPolarHBondContact O-CB 3.35Å; I80-K83 PolarHBondContact O-N 2.71Å; I80-K83 VanDerWaalsContact O-N 3.17Å; A81-K83 PolarHBondContact O-N 2.96Å
84	H	94	Very high	96.1	Very high	67 Å²	67	63.8 Å²	63.8	31%	0.31	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	12.9	-176.1	-66.2	-87.7	0	0	0	114.4	T24 I80 A81 R82 L86	T24-H84 HydrophobicContact CG2-CB 3.85Å; I80-H84 PolarHBondContact O-CD2 2.93Å; I80-H84 VanDerWaalsContact O-CD2 3.29Å; I80-H84 PolarHBondContact O-N 3.03Å; A81-H84 CarbonylContact O-C 3.55Å; A81-H84 PolarHBondContact O-N 3.34Å; R82-H84 PolarHBondContact O-N 2.79Å; R82-H84 VanDerWaalsContact O-N 3.17Å; H84-L86 VanDerWaalsContact C-N 3.34Å; H84-L86 HydrophobicContact CB-CD1 3.99Å; H84-L86 HydrophobicContact CB-CG 4.05Å; H84-L86 PolarHBondContact O-N 2.99Å
85	N	92.3	Very high	96.1	Very high	140 Å²	140	65.8 Å²	65.8	75%	0.749	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	43.4	-178.3	-55.3	-48.8	0	0	0	113.9	A81 R82	A81-N85 PolarHBondContact O-N 3.16Å; R82-N85 PolarHBondContact O-N 3.43Å
86	L	92.6	Very high	96	Very high	63 Å²	63	65.6 Å²	65.6	33%	0.33	32%	0.322	S	S	.	.			trans	-106.4	16.3	-179.7	-59.7	174.5	0	0	0	113.3	L20 Y23 T24 A81 H84 L154	L20-L86 HydrophobicContact CD1-CD1 3.85Å; Y23-L86 HydrophobicContact CD1-CD1 4Å; Y23-L86 HydrophobicContact CE1-CD1 3.83Å; Y23-L86 HydrophobicContact CE1-CD2 4.04Å; T24-L86 HydrophobicContact CG2-CD1 3.69Å; A81-L86 HydrophobicContact CB-CB 4.14Å; A81-L86 PolarHBondContact O-N 3.14Å; H84-L86 VanDerWaalsContact C-N 3.34Å; H84-L86 HydrophobicContact CB-CD1 3.99Å; H84-L86 HydrophobicContact CB-CG 4.05Å; H84-L86 PolarHBondContact O-N 2.99Å; L86-L154 HydrophobicContact CD1-CD2 4.13Å; L86-L154 HydrophobicContact CD2-CD2 4.44Å
87	C	92.7	Very high	95.9	Very high	56 Å²	56	68.1 Å²	68.1	38%	0.378	34%	0.337	S	S	.	.	S	Bend	trans	-88.2	165.5	173.3	-63.9	0	0	0	0	110.9	E89	C87-E89 PolarHBondContact O-N 2.92Å
88	G	91.1	Very high	95.9	Very high	11 Å²	11	70.6 Å²	70.6	11%	0.113	35%	0.35	C	S	.	.			trans	-59.5	135.5	169.7	0	0	0	0	0	111.5	K94	G88-K94 WeakPolarHBondContact O-CE 3.38Å
89	E	93.4	Very high	95.9	Very high	113 Å²	113	73.2 Å²	73.2	53%	0.528	36%	0.361	S	S	.	.	S	Bend	trans	-91.1	-44.3	-176.7	-66	175.7	178.7	0	0	110.6	C87 E93 K152	C87-E89 PolarHBondContact O-N 2.92Å; E89-E93 PolarHBondContact N-OE2 3.42Å; E89-K152 IonicContact OE1-NZ 2.79Å; E89-K152 PolarHBondContact OE1-NZ 3.39Å; E89-K152 IonicContact OE2-NZ 2.64Å; E89-K152 PolarHBondContact OE2-NZ 2.92Å
90	T	96.3	Very high	95.9	Very high	61 Å²	61	72.8 Å²	72.8	37%	0.374	36%	0.361	S	S	.	.	S	Bend	trans	-88.3	163.6	176.3	89.5	0	0	0	0	112	E92 E93 K94	T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 WeakPolarHBondContact CB-OE2 3.22Å; T90-E92 PolarHBondContact O-N 3.22Å; T90-E92 PolarHBondContact OG1-N 3.24Å; T90-E92 PolarHBondContact OG1-OE2 2.97Å; T90-E93 HydrophobicContact CG2-CG 4.48Å; T90-E93 PolarHBondContact N-OE2 3.19Å; T90-E93 PolarHBondContact O-N 3.42Å; T90-E93 PolarHBondContact OG1-N 3.45Å; T90-K94 WeakPolarHBondContact O-CG 3.46Å; T90-K94 PolarHBondContact O-N 3.19Å
91	E	97.4	Very high	95.8	Very high	114 Å²	114	75 Å²	75	53%	0.533	37%	0.371	S	S	.	.	H	α-helix	trans	-62.2	-39.4	176.9	-171.5	59.9	-164.4	0	0	111.7	E93 K94 I95	E91-E93 VanDerWaalsContact C-N 3.33Å; E91-E93 PolarHBondContact O-N 3.46Å; E91-K94 PolarHBondContact O-N 3.08Å; E91-I95 HydrophobicContact CG-CD1 4.09Å; E91-I95 VanDerWaalsContact O-CG1 3.29Å; E91-I95 WeakPolarHBondContact O-CG1 3.21Å; E91-I95 PolarHBondContact O-N 3.43Å
92	E	97	Very high	95.9	Very high	126 Å²	126	78.8 Å²	78.8	59%	0.589	39%	0.39	S	S	*	.	H	α-helix	trans	-64.1	-39	176.8	-58.2	74.1	-162.9	0	0	111.7	T90 R96	T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 WeakPolarHBondContact CB-OE2 3.22Å; T90-E92 PolarHBondContact O-N 3.22Å; T90-E92 PolarHBondContact OG1-N 3.24Å; T90-E92 PolarHBondContact OG1-OE2 2.97Å; E92-R96 WeakPolarHBondContact O-CG 3.44Å; E92-R96 PolarHBondContact O-N 2.74Å; E92-R96 VanDerWaalsContact O-N 3.09Å
93	E	95.8	Very high	95.9	Very high	39 Å²	39	75.3 Å²	75.3	18%	0.182	38%	0.38	C	S	.	.	H	α-helix	trans	-66.3	-42.1	175.6	-65.5	-174.7	149.5	0	0	111.3	E89 T90 E91 R96 V97	E89-E93 PolarHBondContact N-OE2 3.42Å; T90-E93 HydrophobicContact CG2-CG 4.48Å; T90-E93 PolarHBondContact N-OE2 3.19Å; T90-E93 PolarHBondContact O-N 3.42Å; T90-E93 PolarHBondContact OG1-N 3.45Å; E91-E93 VanDerWaalsContact C-N 3.33Å; E91-E93 PolarHBondContact O-N 3.46Å; E93-R96 PolarHBondContact O-N 3.45Å; E93-V97 WeakPolarHBondContact O-CG2 3.24Å; E93-V97 PolarHBondContact O-N 2.95Å
94	K	96.6	Very high	95.9	Very high	88 Å²	88	73.4 Å²	73.4	38%	0.383	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-48.5	176.2	-68	168.1	-165.5	166.9	0	111.7	G88 T90 E91 R96 V97 D98	G88-K94 WeakPolarHBondContact O-CE 3.38Å; T90-K94 WeakPolarHBondContact O-CG 3.46Å; T90-K94 PolarHBondContact O-N 3.19Å; E91-K94 PolarHBondContact O-N 3.08Å; K94-R96 PolarHBondContact O-N 3.16Å; K94-V97 PolarHBondContact O-N 3.18Å; K94-D98 VanDerWaalsContact O-CG 3.22Å; K94-D98 PolarHBondContact O-N 3.38Å
95	I	97.7	Very high	96.1	Very high	81 Å²	81	72.5 Å²	72.5	42%	0.415	37%	0.373	S	S	.	.	H	α-helix	trans	-54.1	-43.8	175	-70.1	164.6	0	0	0	110.7	E91 D98 I99	E91-I95 HydrophobicContact CG-CD1 4.09Å; E91-I95 VanDerWaalsContact O-CG1 3.29Å; E91-I95 WeakPolarHBondContact O-CG1 3.21Å; E91-I95 PolarHBondContact O-N 3.43Å; I95-D98 PolarHBondContact O-N 3.39Å; I95-I99 HydrophobicContact CG2-CD1 3.77Å; I95-I99 WeakPolarHBondContact O-CB 3.22Å; I95-I99 VanDerWaalsContact O-CG1 3.28Å; I95-I99 WeakPolarHBondContact O-CG1 3.34Å; I95-I99 PolarHBondContact O-N 3.1Å
96	R	97.7	Very high	96.3	Very high	38 Å²	38	70 Å²	70	14%	0.143	36%	0.36	C	S	.	.	H	α-helix	trans	-67.2	-40.5	178.6	-70.5	172.7	70	77.2	5.9	112.5	E92 E93 K94 L100 F141 R145 F148	E92-R96 WeakPolarHBondContact O-CG 3.44Å; E92-R96 PolarHBondContact O-N 2.74Å; E92-R96 VanDerWaalsContact O-N 3.09Å; E93-R96 PolarHBondContact O-N 3.45Å; K94-R96 PolarHBondContact O-N 3.16Å; R96-L100 VanDerWaalsContact O-CB 3.23Å; R96-L100 WeakPolarHBondContact O-CB 3.41Å; R96-L100 PolarHBondContact O-N 3.22Å; R96-F141 HydrophobicContact CB-CE1 4.43Å; R96-F141 HydrophobicContact CB-CZ 3.81Å; R96-F141 HydrophobicContact CG-CE2 4.36Å; R96-F141 HydrophobicContact CG-CZ 3.81Å; R96-F141 PolarHBondContact NH2-O 3.37Å; R96-R145 VanDerWaalsContact CZ-CZ 3.5Å; R96-F148 VanDerWaalsContact CZ-O 3.23Å; R96-F148 PolarHBondContact NE-O 2.91Å; R96-F148 PolarHBondContact NH2-O 3.4Å
97	V	96.6	Very high	96.5	Very high	53 Å²	53	68.1 Å²	68.1	32%	0.321	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-47.6	175.4	168.2	0	0	0	0	110.2	E93 K94 L100 E101 A149	E93-V97 WeakPolarHBondContact O-CG2 3.24Å; E93-V97 PolarHBondContact O-N 2.95Å; K94-V97 PolarHBondContact O-N 3.18Å; V97-L100 PolarHBondContact O-N 3.09Å; V97-E101 VanDerWaalsContact O-CB 3.3Å; V97-E101 WeakPolarHBondContact O-CB 3.45Å; V97-E101 PolarHBondContact O-N 3.25Å; V97-A149 HydrophobicContact CG2-CB 3.94Å
98	D	97.9	Very high	96.6	Very high	88 Å²	88	68.6 Å²	68.6	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-63.3	-46.7	-177.6	-64.8	-14.1	0	0	0	111.7	K94 I95 L100 N102	K94-D98 VanDerWaalsContact O-CG 3.22Å; K94-D98 PolarHBondContact O-N 3.38Å; I95-D98 PolarHBondContact O-N 3.39Å; D98-L100 PolarHBondContact O-N 3.49Å; D98-N102 PolarHBondContact O-N 3.46Å; D98-N102 PolarHBondContact O-ND2 3.41Å
99	I	98.2	Very high	96.8	Very high	92 Å²	92	72.6 Å²	72.6	47%	0.472	36%	0.364	S	S	.	.	H	α-helix	trans	-60.3	-48	176.2	-69.4	168.2	0	0	0	110.2	I95 N102 Q103	I95-I99 HydrophobicContact CG2-CD1 3.77Å; I95-I99 WeakPolarHBondContact O-CB 3.22Å; I95-I99 VanDerWaalsContact O-CG1 3.28Å; I95-I99 WeakPolarHBondContact O-CG1 3.34Å; I95-I99 PolarHBondContact O-N 3.1Å; I99-N102 PolarHBondContact O-N 3.29Å; I99-Q103 WeakPolarHBondContact O-CB 3.29Å; I99-Q103 PolarHBondContact O-N 2.87Å
100	L	97.4	Very high	97	Very high	29 Å²	29	70.4 Å²	70.4	15%	0.152	35%	0.354	C	S	.	.	H	α-helix	trans	-69.5	-39.8	-174.7	-170.3	74.5	0	0	0	112.4	R96 V97 D98 N102 Q103 T104 Y138 F141 F148	R96-L100 VanDerWaalsContact O-CB 3.23Å; R96-L100 WeakPolarHBondContact O-CB 3.41Å; R96-L100 PolarHBondContact O-N 3.22Å; V97-L100 PolarHBondContact O-N 3.09Å; D98-L100 PolarHBondContact O-N 3.49Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 2.9Å; L100-Q103 PolarHBondContact O-N 3.49Å; L100-T104 HydrophobicContact CD1-CG2 4.05Å; L100-T104 HydrophobicContact CG-CG2 4Å; L100-T104 VanDerWaalsContact O-CB 3.31Å; L100-T104 WeakPolarHBondContact O-CB 3.33Å; L100-T104 WeakPolarHBondContact O-CG2 3.48Å; L100-T104 PolarHBondContact O-N 2.88Å; L100-T104 PolarHBondContact O-OG1 3.41Å; L100-Y138 HydrophobicContact CD1-CD1 3.86Å; L100-Y138 HydrophobicContact CD1-CE1 3.67Å; L100-F141 HydrophobicContact CB-CE1 4.33Å; L100-F141 HydrophobicContact CD1-CD1 4.22Å; L100-F141 HydrophobicContact CD1-CE1 4.19Å; L100-F148 HydrophobicContact CD1-CD1 3.93Å; L100-F148 HydrophobicContact CD1-CE1 4Å; L100-F148 HydrophobicContact CD1-CG 4.37Å; L100-F148 HydrophobicContact CD2-CB 3.44Å; L100-F148 VanDerWaalsContact CD2-CB 3.44Å; L100-F148 HydrophobicContact CD2-CD1 3.8Å; L100-F148 HydrophobicContact CD2-CD2 3.82Å; L100-F148 HydrophobicContact CD2-CE1 4.47Å; L100-F148 HydrophobicContact CD2-CE2 4.5Å; L100-F148 HydrophobicContact CD2-CG 3.41Å; L100-F148 VanDerWaalsContact CD2-CG 3.41Å
101	E	97.1	Very high	97	Very high	49 Å²	49	70 Å²	70	23%	0.229	35%	0.349	C	S	.	.	H	α-helix	trans	-56.5	-47.8	176.4	-179.3	-178.4	-123.4	0	0	110.8	N74 V97 T104 M105	N74-E101 HydrophobicContact CB-CG 4.34Å; N74-E101 WeakPolarHBondContact CB-OE1 3.46Å; N74-E101 VanDerWaalsContact ND2-CG 3.26Å; N74-E101 WeakPolarHBondContact ND2-CG 3.42Å; V97-E101 VanDerWaalsContact O-CB 3.3Å; V97-E101 WeakPolarHBondContact O-CB 3.45Å; V97-E101 PolarHBondContact O-N 3.25Å; E101-T104 PolarHBondContact O-OG1 3.19Å; E101-T104 VanDerWaalsContact O-OG1 3.1Å; E101-M105 PolarHBondContact O-N 3.05Å
102	N	98	Very high	97	Very high	92 Å²	92	65.1 Å²	65.1	49%	0.492	33%	0.33	S	S	.	.	H	α-helix	trans	-71.7	-45	180	-72.1	-79.5	0	0	0	111.9	D98 I99 L100 T104 M105 D106	D98-N102 PolarHBondContact O-N 3.46Å; D98-N102 PolarHBondContact O-ND2 3.41Å; I99-N102 PolarHBondContact O-N 3.29Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 2.9Å; N102-T104 PolarHBondContact O-N 3.44Å; N102-M105 WeakPolarHBondContact O-CB 3.41Å; N102-M105 PolarHBondContact O-N 3.2Å; N102-M105 VanDerWaalsContact O-N 3.16Å; N102-D106 PolarHBondContact O-N 2.98Å
103	Q	98	Very high	97	Very high	79 Å²	79	65 Å²	65	37%	0.369	33%	0.331	S	S	.	.	H	α-helix	trans	-62.5	-40.5	179.6	-174.8	59.7	57.4	0	0	112.4	I99 L100 M105 D106 N107 Y138	I99-Q103 WeakPolarHBondContact O-CB 3.29Å; I99-Q103 PolarHBondContact O-N 2.87Å; L100-Q103 PolarHBondContact O-N 3.49Å; Q103-M105 VanDerWaalsContact C-N 3.34Å; Q103-D106 PolarHBondContact O-N 2.92Å; Q103-N107 PolarHBondContact NE2-OD1 3.49Å; Q103-N107 PolarHBondContact O-N 3.39Å; Q103-N107 VanDerWaalsContact O-N 3.09Å; Q103-N107 PolarHBondContact O-OD1 2.93Å; Q103-Y138 HydrophobicContact CG-CE1 4.26Å; Q103-Y138 PolarHBondContact O-OH 3.33Å
104	T	96.7	Very high	97.1	Very high	62 Å²	62	64.6 Å²	64.6	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-68	-34.1	176.2	55.2	0	0	0	0	112.4	L100 E101 N102 H108 Y138	L100-T104 HydrophobicContact CD1-CG2 4.05Å; L100-T104 HydrophobicContact CG-CG2 4Å; L100-T104 VanDerWaalsContact O-CB 3.31Å; L100-T104 WeakPolarHBondContact O-CB 3.33Å; L100-T104 WeakPolarHBondContact O-CG2 3.48Å; L100-T104 PolarHBondContact O-N 2.88Å; L100-T104 PolarHBondContact O-OG1 3.41Å; E101-T104 PolarHBondContact O-OG1 3.19Å; E101-T104 VanDerWaalsContact O-OG1 3.1Å; N102-T104 PolarHBondContact O-N 3.44Å; T104-H108 VanDerWaalsContact O-CB 3.3Å; T104-H108 WeakPolarHBondContact O-CB 3.47Å; T104-H108 PolarHBondContact O-N 2.58Å; T104-Y138 WeakPolarHBondContact CA-OH 3.28Å; T104-Y138 HydrophobicContact CG2-CE1 3.78Å; T104-Y138 PolarHBondContact N-OH 3.19Å
105	M	97.1	Very high	97.2	Very high	48 Å²	48	60.4 Å²	60.4	24%	0.236	31%	0.311	C	S	.	.	H	α-helix	trans	-64.7	-44.8	171.9	-174	57.4	69.4	0	0	111.3	L13 N74 E101 N102 Q103 N107 H108 M109	L13-M105 HydrophobicContact CD2-CE 4.33Å; L13-M105 HydrophobicContact CD2-SD 4.43Å; N74-M105 WeakPolarHBondContact OD1-CE 3.4Å; E101-M105 PolarHBondContact O-N 3.05Å; N102-M105 WeakPolarHBondContact O-CB 3.41Å; N102-M105 PolarHBondContact O-N 3.2Å; N102-M105 VanDerWaalsContact O-N 3.16Å; Q103-M105 VanDerWaalsContact C-N 3.34Å; M105-N107 VanDerWaalsContact C-N 3.34Å; M105-N107 PolarHBondContact O-N 3.24Å; M105-H108 WeakPolarHBondContact O-CB 3.3Å; M105-H108 PolarHBondContact O-N 3.39Å; M105-M109 HydrophobicContact CG-CG 4.36Å; M105-M109 WeakPolarHBondContact O-CB 3.49Å; M105-M109 VanDerWaalsContact O-CG 3.31Å; M105-M109 WeakPolarHBondContact O-CG 3.47Å; M105-M109 PolarHBondContact O-N 3.23Å; M105-M109 HydrophobicContact SD-CG 4.16Å
106	D	97.6	Very high	97.2	Very high	88 Å²	88	60.9 Å²	60.9	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-57.6	-46	176.7	-75.8	-19.2	0	0	0	111.8	N102 Q103 M109 Q110	N102-D106 PolarHBondContact O-N 2.98Å; Q103-D106 PolarHBondContact O-N 2.92Å; D106-M109 PolarHBondContact O-N 3.48Å; D106-Q110 VanDerWaalsContact O-CG 3.32Å; D106-Q110 WeakPolarHBondContact O-CG 3.32Å; D106-Q110 PolarHBondContact O-N 2.78Å
107	N	95.7	Very high	97.2	Very high	24 Å²	24	61.6 Å²	61.6	13%	0.128	32%	0.315	C	S	.	.	H	α-helix	trans	-70	-34.7	177.7	-68.8	130.5	0	0	0	113	Q103 M105 Q110 L111 Y138	Q103-N107 PolarHBondContact NE2-OD1 3.49Å; Q103-N107 PolarHBondContact O-N 3.39Å; Q103-N107 VanDerWaalsContact O-N 3.09Å; Q103-N107 PolarHBondContact O-OD1 2.93Å; M105-N107 VanDerWaalsContact C-N 3.34Å; M105-N107 PolarHBondContact O-N 3.24Å; N107-Q110 PolarHBondContact ND2-OE1 2.83Å; N107-Q110 PolarHBondContact O-N 2.79Å; N107-L111 PolarHBondContact O-N 3.16Å; N107-L111 VanDerWaalsContact O-N 3.1Å; N107-Y138 WeakPolarHBondContact OD1-CE2 3.23Å; N107-Y138 PolarHBondContact OD1-OH 2.72Å
108	H	95.2	Very high	97.3	Very high	65 Å²	65	64.8 Å²	64.8	30%	0.301	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-45.7	172.1	-176.1	82.2	0	0	0	111.4	L13 T104 M105 L111 G112	L13-H108 WeakPolarHBondContact CD2-NE2 3.38Å; T104-H108 VanDerWaalsContact O-CB 3.3Å; T104-H108 WeakPolarHBondContact O-CB 3.47Å; T104-H108 PolarHBondContact O-N 2.58Å; M105-H108 WeakPolarHBondContact O-CB 3.3Å; M105-H108 PolarHBondContact O-N 3.39Å; H108-L111 PolarHBondContact O-N 3.29Å; H108-G112 PolarHBondContact O-N 3.35Å
109	M	95.9	Very high	97.3	Very high	95 Å²	95	65 Å²	65	47%	0.468	34%	0.335	S	S	.	.	H	α-helix	trans	-64.8	-41.2	178	-70.4	-58.9	-66.3	0	0	111.7	M105 D106 L111 G112 M113	M105-M109 HydrophobicContact CG-CG 4.36Å; M105-M109 WeakPolarHBondContact O-CB 3.49Å; M105-M109 VanDerWaalsContact O-CG 3.31Å; M105-M109 WeakPolarHBondContact O-CG 3.47Å; M105-M109 PolarHBondContact O-N 3.23Å; M105-M109 HydrophobicContact SD-CG 4.16Å; D106-M109 PolarHBondContact O-N 3.48Å; M109-L111 PolarHBondContact O-N 2.85Å; M109-G112 PolarHBondContact O-N 3.12Å; M109-M113 HydrophobicContact CB-CE 4.1Å; M109-M113 WeakPolarHBondContact O-CG 3.27Å; M109-M113 PolarHBondContact O-N 3.06Å
110	Q	96.4	Very high	97.3	Very high	68 Å²	68	61.2 Å²	61.2	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-58.1	-46.5	174.4	-75.3	176	16.1	0	0	112.2	D106 N107 M113 I114	D106-Q110 VanDerWaalsContact O-CG 3.32Å; D106-Q110 WeakPolarHBondContact O-CG 3.32Å; D106-Q110 PolarHBondContact O-N 2.78Å; N107-Q110 PolarHBondContact ND2-OE1 2.83Å; N107-Q110 PolarHBondContact O-N 2.79Å; Q110-M113 PolarHBondContact O-N 3.3Å; Q110-I114 PolarHBondContact O-N 3.4Å
111	L	97.4	Very high	97.3	Very high	51 Å²	51	66 Å²	66	27%	0.267	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-45.2	176.1	179.7	62	0	0	0	111.1	N107 H108 M109 M113 I114 C115 Y127 F172	N107-L111 PolarHBondContact O-N 3.16Å; N107-L111 VanDerWaalsContact O-N 3.1Å; H108-L111 PolarHBondContact O-N 3.29Å; M109-L111 PolarHBondContact O-N 2.85Å; L111-M113 PolarHBondContact O-N 3.49Å; L111-I114 PolarHBondContact O-N 2.83Å; L111-C115 WeakPolarHBondContact O-CB 3.32Å; L111-C115 PolarHBondContact O-N 3.07Å; L111-C115 PolarHBondContact O-SG 3.38Å; L111-Y127 HydrophobicContact CD1-CE1 3.96Å; L111-F172 HydrophobicContact CD2-CZ 4.28Å; L111-F172 HydrophobicContact CG-CE2 4.37Å; L111-F172 HydrophobicContact CG-CZ 4.14Å
112	G	97.3	Very high	97.4	Very high	13 Å²	13	70.9 Å²	70.9	13%	0.134	36%	0.357	C	S	.	.	H	α-helix	trans	-56.6	-48.6	176.2	0	0	0	0	0	112.3	H108 M109 I114 C115 Y116	H108-G112 PolarHBondContact O-N 3.35Å; M109-G112 PolarHBondContact O-N 3.12Å; G112-I114 PolarHBondContact O-N 3.19Å; G112-C115 PolarHBondContact O-N 3.2Å; G112-Y116 VanDerWaalsContact O-CD2 3.27Å; G112-Y116 WeakPolarHBondContact O-CD2 3.03Å; G112-Y116 PolarHBondContact O-N 2.98Å; G112-Y116 VanDerWaalsContact O-N 3.09Å
113	M	97.1	Very high	97.4	Very high	124 Å²	124	69.5 Å²	69.5	61%	0.611	35%	0.35	S	S	*	.	H	α-helix	trans	-55.3	-40.1	178.9	-74.3	-178	-136.7	0	0	112.2	M109 Q110 L111 N117	M109-M113 HydrophobicContact CB-CE 4.1Å; M109-M113 WeakPolarHBondContact O-CG 3.27Å; M109-M113 PolarHBondContact O-N 3.06Å; Q110-M113 PolarHBondContact O-N 3.3Å; L111-M113 PolarHBondContact O-N 3.49Å; M113-N117 WeakPolarHBondContact O-CB 3.41Å; M113-N117 PolarHBondContact O-N 3.38Å
114	I	97.8	Very high	97.4	Very high	29 Å²	29	69.4 Å²	69.4	15%	0.149	35%	0.348	C	S	.	.	H	α-helix	trans	-74.6	-46.7	-179.9	-66	176.2	0	0	0	110.9	Q110 L111 G112 Y116 N117 F120 L123 Y127	Q110-I114 PolarHBondContact O-N 3.4Å; L111-I114 PolarHBondContact O-N 2.83Å; G112-I114 PolarHBondContact O-N 3.19Å; I114-Y116 PolarHBondContact O-N 3.28Å; I114-N117 WeakPolarHBondContact O-CB 3.37Å; I114-N117 PolarHBondContact O-N 2.85Å; I114-F120 HydrophobicContact CG2-CD2 3.72Å; I114-F120 HydrophobicContact CG2-CE2 4Å; I114-F120 WeakPolarHBondContact O-CD2 3.43Å; I114-L123 HydrophobicContact CG2-CB 4.23Å; I114-Y127 HydrophobicContact CD1-CD2 3.24Å; I114-Y127 HydrophobicContact CD1-CE2 4.08Å; I114-Y127 HydrophobicContact CD1-CG 3.59Å
115	C	98.4	Very high	97.4	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.007	35%	0.354	C	S	.	.	H	α-helix	trans	-66.3	-20.6	-176.8	-68.5	0	0	0	0	114.2	L111 G112 F172 V177 W178	L111-C115 WeakPolarHBondContact O-CB 3.32Å; L111-C115 PolarHBondContact O-N 3.07Å; L111-C115 PolarHBondContact O-SG 3.38Å; G112-C115 PolarHBondContact O-N 3.2Å; C115-F172 HydrophobicContact CB-CD2 3.82Å; C115-F172 HydrophobicContact CB-CE2 3.64Å; C115-F172 HydrophobicContact CB-CZ 4.43Å; C115-V177 WeakPolarHBondContact O-CA 3.44Å; C115-V177 WeakPolarHBondContact O-CB 3.5Å; C115-V177 PolarHBondContact O-N 3.14Å; C115-W178 HydrophobicContact CB-CB 4.39Å; C115-W178 HydrophobicContact CB-CE3 4.44Å; C115-W178 PolarHBondContact O-N 2.87Å; C115-W178 VanDerWaalsContact O-N 3.14Å
116	Y	98.2	Very high	97.4	Very high	90 Å²	90	74.2 Å²	74.2	35%	0.353	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.6	173.4	-78	-98.3	0	0	0	113.5	G112 I114 F172 S173 M175 A176	G112-Y116 VanDerWaalsContact O-CD2 3.27Å; G112-Y116 WeakPolarHBondContact O-CD2 3.03Å; G112-Y116 PolarHBondContact O-N 2.98Å; G112-Y116 VanDerWaalsContact O-N 3.09Å; I114-Y116 PolarHBondContact O-N 3.28Å; Y116-F172 HydrophobicContact CE2-CB 3.76Å; Y116-F172 AromaticContact CE2-CD1 3.7Å; Y116-F172 HydrophobicContact CE2-CD1 3.7Å; Y116-F172 HydrophobicContact CE2-CE1 4.44Å; Y116-F172 AromaticContact CE2-CG 3.79Å; Y116-F172 HydrophobicContact CE2-CG 3.79Å; Y116-S173 VanDerWaalsContact CE1-OG 3.23Å; Y116-S173 WeakPolarHBondContact CE1-OG 3.48Å; Y116-S173 WeakPolarHBondContact OH-CB 3.3Å; Y116-S173 PolarHBondContact OH-N 3.21Å; Y116-S173 PolarHBondContact OH-OG 3.2Å; Y116-M175 HydrophobicContact CD1-CB 4.46Å; Y116-M175 HydrophobicContact CE1-CB 4.19Å; Y116-A176 HydrophobicContact CD1-CB 4.02Å; Y116-A176 HydrophobicContact CD2-CB 4.05Å; Y116-A176 HydrophobicContact CE1-CB 3.88Å; Y116-A176 HydrophobicContact CE2-CB 3.92Å; Y116-A176 HydrophobicContact CG-CB 4.14Å
117	N	98.1	Very high	97.4	Very high	53 Å²	53	71.6 Å²	71.6	28%	0.283	35%	0.354	S	S	.	.			trans	-77.7	130.3	-177.5	-164.3	-56	0	0	0	110.8	M113 I114 E119 F120 L123 V177	M113-N117 WeakPolarHBondContact O-CB 3.41Å; M113-N117 PolarHBondContact O-N 3.38Å; I114-N117 WeakPolarHBondContact O-CB 3.37Å; I114-N117 PolarHBondContact O-N 2.85Å; N117-E119 PolarHBondContact O-N 2.95Å; N117-E119 VanDerWaalsContact O-N 3.12Å; N117-E119 WeakPolarHBondContact OD1-CA 3.34Å; N117-E119 WeakPolarHBondContact OD1-CB 3.4Å; N117-E119 PolarHBondContact OD1-N 2.89Å; N117-F120 WeakPolarHBondContact O-CB 3.49Å; N117-F120 PolarHBondContact O-N 3.36Å; N117-L123 HydrophobicContact CB-CD1 3.82Å; N117-L123 VanDerWaalsContact CG-CD1 3.47Å; N117-L123 WeakPolarHBondContact ND2-CD1 3.46Å; N117-V177 WeakPolarHBondContact O-CG2 3.49Å
118	P	97.7	Very high	97.5	Very high	120 Å²	120	74.7 Å²	74.7	78%	0.779	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-26	173.9	-26	35.2	0	0	0	114.3	F120	P118-F120 VanDerWaalsContact C-N 3.31Å; P118-F120 PolarHBondContact O-N 2.94Å
119	E	97.9	Very high	97.7	Very high	94 Å²	94	79 Å²	79	44%	0.439	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	22.4	175.8	-54.6	-159.9	121.4	0	0	113.5	N117 E121 K122 L123	N117-E119 PolarHBondContact O-N 2.95Å; N117-E119 VanDerWaalsContact O-N 3.12Å; N117-E119 WeakPolarHBondContact OD1-CA 3.34Å; N117-E119 WeakPolarHBondContact OD1-CB 3.4Å; N117-E119 PolarHBondContact OD1-N 2.89Å; E119-E121 VanDerWaalsContact C-N 3.26Å; E119-E121 PolarHBondContact O-N 2.75Å; E119-E121 VanDerWaalsContact O-N 3.11Å; E119-K122 HydrophobicContact CB-CB 4.45Å; E119-K122 HydrophobicContact CB-CD 4.32Å; E119-K122 WeakPolarHBondContact O-CA 3.24Å; E119-K122 WeakPolarHBondContact O-CB 3.39Å; E119-K122 PolarHBondContact O-N 3.1Å; E119-K122 IonicContact OE1-NZ 3.25Å; E119-K122 PolarHBondContact OE1-NZ 3.36Å; E119-L123 PolarHBondContact O-N 3.44Å; E119-L123 VanDerWaalsContact O-N 3.15Å
120	F	98.3	Very high	97.7	Very high	11 Å²	11	78 Å²	78	5%	0.048	38%	0.384	C	S	.	.	H	α-helix	trans	-42.7	-48.7	-178.6	171.9	-104	0	0	0	113.6	I114 N117 P118 K122 L123 K124 V177 W178	I114-F120 HydrophobicContact CG2-CD2 3.72Å; I114-F120 HydrophobicContact CG2-CE2 4Å; I114-F120 WeakPolarHBondContact O-CD2 3.43Å; N117-F120 WeakPolarHBondContact O-CB 3.49Å; N117-F120 PolarHBondContact O-N 3.36Å; P118-F120 VanDerWaalsContact C-N 3.31Å; P118-F120 PolarHBondContact O-N 2.94Å; F120-K122 PolarHBondContact O-N 3.39Å; F120-L123 PolarHBondContact O-N 3.47Å; F120-L123 VanDerWaalsContact O-N 3.14Å; F120-K124 HydrophobicContact CE1-CD 3.9Å; F120-K124 HydrophobicContact CE2-CB 4.42Å; F120-K124 HydrophobicContact CZ-CB 4.35Å; F120-K124 HydrophobicContact CZ-CD 3.83Å; F120-K124 HydrophobicContact CZ-CG 4.31Å; F120-K124 VanDerWaalsContact O-CB 3.25Å; F120-K124 WeakPolarHBondContact O-CB 3.24Å; F120-K124 PolarHBondContact O-N 3.06Å; F120-V177 HydrophobicContact CB-CB 4.1Å; F120-V177 HydrophobicContact CB-CG1 3.72Å; F120-V177 HydrophobicContact CD1-CG1 4.2Å; F120-V177 HydrophobicContact CG-CG1 4.15Å; F120-W178 HydrophobicContact CD1-CB 4.37Å; F120-W178 HydrophobicContact CD2-CB 4.24Å; F120-W178 HydrophobicContact CE1-CB 3.88Å; F120-W178 AromaticContact CE1-CD1 4Å; F120-W178 HydrophobicContact CE1-CG 4.16Å; F120-W178 HydrophobicContact CE2-CB 3.75Å; F120-W178 HydrophobicContact CE2-CG 4.17Å; F120-W178 HydrophobicContact CZ-CB 3.54Å; F120-W178 AromaticContact CZ-CD1 3.73Å; F120-W178 HydrophobicContact CZ-CD2 4.5Å; F120-W178 AromaticContact CZ-CG 3.64Å; F120-W178 HydrophobicContact CZ-CG 3.64Å
121	E	98.1	Very high	97.7	Very high	130 Å²	130	77.1 Å²	77.1	61%	0.607	38%	0.382	S	S	*	.	H	α-helix	trans	-63.9	-27.2	-178.3	-67	-58.2	152	0	0	113.3	E119 P125	E119-E121 VanDerWaalsContact C-N 3.26Å; E119-E121 PolarHBondContact O-N 2.75Å; E119-E121 VanDerWaalsContact O-N 3.11Å; E121-P125 WeakPolarHBondContact O-CD 3.08Å
122	K	98.2	Very high	97.8	Very high	152 Å²	152	78.3 Å²	78.3	66%	0.661	39%	0.393	S	S	*	.	H	α-helix	trans	-80.1	-34.4	174.5	-59.2	-177.3	-171.4	168.1	0	112.4	E119 F120 P125	E119-K122 HydrophobicContact CB-CB 4.45Å; E119-K122 HydrophobicContact CB-CD 4.32Å; E119-K122 WeakPolarHBondContact O-CA 3.24Å; E119-K122 WeakPolarHBondContact O-CB 3.39Å; E119-K122 PolarHBondContact O-N 3.1Å; E119-K122 IonicContact OE1-NZ 3.25Å; E119-K122 PolarHBondContact OE1-NZ 3.36Å; F120-K122 PolarHBondContact O-N 3.39Å; K122-P125 WeakPolarHBondContact O-CD 3.3Å
123	L	97.9	Very high	97.7	Very high	63 Å²	63	83.3 Å²	83.3	33%	0.33	41%	0.413	S	S	.	.	H	α-helix	trans	-84.2	-30.4	-175.7	-64.1	174.3	0	0	0	113	I114 N117 E119 F120 K126 Y127	I114-L123 HydrophobicContact CG2-CB 4.23Å; N117-L123 HydrophobicContact CB-CD1 3.82Å; N117-L123 VanDerWaalsContact CG-CD1 3.47Å; N117-L123 WeakPolarHBondContact ND2-CD1 3.46Å; E119-L123 PolarHBondContact O-N 3.44Å; E119-L123 VanDerWaalsContact O-N 3.15Å; F120-L123 PolarHBondContact O-N 3.47Å; F120-L123 VanDerWaalsContact O-N 3.14Å; L123-K126 PolarHBondContact O-N 3.29Å; L123-Y127 PolarHBondContact O-N 3.37Å
124	K	97.8	Very high	97.6	Very high	77 Å²	77	79.2 Å²	79.2	34%	0.335	39%	0.391	S	S	.	.	H	α-helix	trans	-54.5	-44.9	-177	174.7	-173.2	178.3	-172.4	0	113.8	F120 K126 Y127 L128	F120-K124 HydrophobicContact CE1-CD 3.9Å; F120-K124 HydrophobicContact CE2-CB 4.42Å; F120-K124 HydrophobicContact CZ-CB 4.35Å; F120-K124 HydrophobicContact CZ-CD 3.83Å; F120-K124 HydrophobicContact CZ-CG 4.31Å; F120-K124 VanDerWaalsContact O-CB 3.25Å; F120-K124 WeakPolarHBondContact O-CB 3.24Å; F120-K124 PolarHBondContact O-N 3.06Å; K124-K126 PolarHBondContact O-N 3.48Å; K124-Y127 PolarHBondContact O-N 3.28Å; K124-L128 HydrophobicContact CG-CD1 3.85Å; K124-L128 HydrophobicContact CG-CG 4.24Å; K124-L128 WeakPolarHBondContact O-CG 3.39Å; K124-L128 PolarHBondContact O-N 3.26Å
125	P	98.4	Very high	97.6	Very high	79 Å²	79	82.5 Å²	82.5	51%	0.513	41%	0.408	S	S	.	.	H	α-helix	trans	-56.9	-48.4	-179.8	-26.6	35.8	0	0	0	112.9	E121 K122 Y127 L128 E129	E121-P125 WeakPolarHBondContact O-CD 3.08Å; K122-P125 WeakPolarHBondContact O-CD 3.3Å; P125-Y127 VanDerWaalsContact C-N 3.35Å; P125-Y127 PolarHBondContact O-N 2.9Å; P125-L128 PolarHBondContact O-N 3.22Å; P125-E129 PolarHBondContact O-N 2.89Å
126	K	97.2	Very high	97.6	Very high	131 Å²	131	87.3 Å²	87.3	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-62	-41.8	178	-177.5	177.3	175.2	178.3	0	111.9	L123 K124 L128 E129 E130	L123-K126 PolarHBondContact O-N 3.29Å; K124-K126 PolarHBondContact O-N 3.48Å; K126-L128 VanDerWaalsContact C-N 3.32Å; K126-L128 PolarHBondContact O-N 2.89Å; K126-E129 WeakPolarHBondContact O-CB 3.46Å; K126-E129 PolarHBondContact O-N 3.11Å; K126-E130 WeakPolarHBondContact CE-OE1 3.24Å; K126-E130 IonicContact NZ-OE1 2.69Å; K126-E130 WeakPolarHBondContact O-CG 3.42Å; K126-E130 PolarHBondContact O-N 2.96Å
127	Y	97.2	Very high	97.6	Very high	33 Å²	33	88.2 Å²	88.2	13%	0.129	44%	0.44	C	S	.	.	H	α-helix	trans	-61.5	-41.7	176.5	-179.4	-95.7	0	0	0	112.5	L111 I114 L123 K124 P125 E129 E130 L131	L111-Y127 HydrophobicContact CD1-CE1 3.96Å; I114-Y127 HydrophobicContact CD1-CD2 3.24Å; I114-Y127 HydrophobicContact CD1-CE2 4.08Å; I114-Y127 HydrophobicContact CD1-CG 3.59Å; L123-Y127 PolarHBondContact O-N 3.37Å; K124-Y127 PolarHBondContact O-N 3.28Å; P125-Y127 VanDerWaalsContact C-N 3.35Å; P125-Y127 PolarHBondContact O-N 2.9Å; Y127-E129 VanDerWaalsContact C-N 3.35Å; Y127-E130 PolarHBondContact O-N 3.24Å; Y127-L131 HydrophobicContact CE1-CD1 4.38Å; Y127-L131 WeakPolarHBondContact O-CB 3.42Å; Y127-L131 PolarHBondContact O-N 3.06Å
128	L	98	Very high	97.6	Very high	89 Å²	89	87.6 Å²	87.6	47%	0.466	43%	0.434	S	S	.	.	H	α-helix	trans	-69.1	-33	177.9	-68.1	176.4	0	0	0	112.4	K124 P125 K126 L131 P132	K124-L128 HydrophobicContact CG-CD1 3.85Å; K124-L128 HydrophobicContact CG-CG 4.24Å; K124-L128 WeakPolarHBondContact O-CG 3.39Å; K124-L128 PolarHBondContact O-N 3.26Å; P125-L128 PolarHBondContact O-N 3.22Å; K126-L128 VanDerWaalsContact C-N 3.32Å; K126-L128 PolarHBondContact O-N 2.89Å; L128-L131 HydrophobicContact CD2-CD2 4.38Å; L128-P132 VanDerWaalsContact O-CD 3.3Å; L128-P132 WeakPolarHBondContact O-CD 3.23Å
129	E	97.9	Very high	97.7	Very high	155 Å²	155	85.8 Å²	85.8	72%	0.724	42%	0.424	S	S	*	.	H	α-helix	trans	-64.6	-41.5	173.2	-174.9	-178.3	-179.6	0	0	112	P125 K126 Y127 P132	P125-E129 PolarHBondContact O-N 2.89Å; K126-E129 WeakPolarHBondContact O-CB 3.46Å; K126-E129 PolarHBondContact O-N 3.11Å; Y127-E129 VanDerWaalsContact C-N 3.35Å; E129-P132 WeakPolarHBondContact O-CD 3.47Å
130	E	96.6	Very high	97.7	Very high	75 Å²	75	87 Å²	87	35%	0.35	43%	0.43	S	S	.	.	H	α-helix	trans	-79.5	-19.1	179.2	-67.3	175.1	-175.3	0	0	113.9	K126 Y127 E133 K134	K126-E130 WeakPolarHBondContact CE-OE1 3.24Å; K126-E130 IonicContact NZ-OE1 2.69Å; K126-E130 WeakPolarHBondContact O-CG 3.42Å; K126-E130 PolarHBondContact O-N 2.96Å; Y127-E130 PolarHBondContact O-N 3.24Å; E130-E133 PolarHBondContact O-N 3.36Å; E130-K134 PolarHBondContact O-N 2.8Å; E130-K134 IonicContact OE2-NZ 3.75Å; E130-K134 PolarHBondContact OE2-NZ 2.8Å
131	L	97.2	Very high	97.7	Very high	49 Å²	49	89.1 Å²	89.1	26%	0.257	44%	0.439	S	S	.	.	H	α-helix	trans	-59.5	-43.8	-172.4	-178.5	64.2	0	0	0	113.4	Y127 L128 E133 K134 L135	Y127-L131 HydrophobicContact CE1-CD1 4.38Å; Y127-L131 WeakPolarHBondContact O-CB 3.42Å; Y127-L131 PolarHBondContact O-N 3.06Å; L128-L131 HydrophobicContact CD2-CD2 4.38Å; L131-E133 VanDerWaalsContact C-N 3.34Å; L131-E133 PolarHBondContact O-N 3.41Å; L131-K134 PolarHBondContact O-N 2.72Å; L131-L135 HydrophobicContact CD1-CD1 4.17Å; L131-L135 HydrophobicContact CD1-CD2 4.46Å; L131-L135 HydrophobicContact CD1-CG 4.04Å; L131-L135 HydrophobicContact CD2-CD1 4.5Å; L131-L135 HydrophobicContact CG-CD1 3.94Å; L131-L135 HydrophobicContact CG-CG 4.23Å; L131-L135 WeakPolarHBondContact O-CG 3.34Å; L131-L135 PolarHBondContact O-N 2.88Å
132	P	98.1	Very high	97.6	Very high	77 Å²	77	85.3 Å²	85.3	50%	0.5	42%	0.422	S	S	.	.	H	α-helix	trans	-57.4	-42.4	177.1	-26.6	36.1	0	0	0	113.6	L128 E129 L135 K136	L128-P132 VanDerWaalsContact O-CD 3.3Å; L128-P132 WeakPolarHBondContact O-CD 3.23Å; E129-P132 WeakPolarHBondContact O-CD 3.47Å; P132-L135 PolarHBondContact O-N 2.83Å; P132-K136 WeakPolarHBondContact O-CB 3.27Å; P132-K136 PolarHBondContact O-N 3.05Å
133	E	96.3	Very high	97.6	Very high	118 Å²	118	80.2 Å²	80.2	55%	0.551	41%	0.413	S	S	*	.	H	α-helix	trans	-66.3	-39.8	178.9	-68.1	-56.6	137.3	0	0	111.3	E130 L131 L135 K136 L137	E130-E133 PolarHBondContact O-N 3.36Å; L131-E133 VanDerWaalsContact C-N 3.34Å; L131-E133 PolarHBondContact O-N 3.41Å; E133-L135 PolarHBondContact O-N 3.43Å; E133-K136 WeakPolarHBondContact O-CB 3.41Å; E133-K136 PolarHBondContact O-N 2.83Å; E133-L137 WeakPolarHBondContact O-CG 3Å; E133-L137 PolarHBondContact O-N 3.48Å
134	K	95.6	Very high	97.5	Very high	38 Å²	38	87.5 Å²	87.5	17%	0.165	44%	0.442	C	S	.	.	H	α-helix	trans	-61.4	-45.7	173.3	-66.5	173.1	-172.6	172.8	0	111.3	E130 L131 K136 L137 Y138	E130-K134 PolarHBondContact O-N 2.8Å; E130-K134 IonicContact OE2-NZ 3.75Å; E130-K134 PolarHBondContact OE2-NZ 2.8Å; L131-K134 PolarHBondContact O-N 2.72Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 2.99Å; K134-L137 PolarHBondContact O-N 3.09Å; K134-Y138 VanDerWaalsContact O-CD2 3.27Å; K134-Y138 WeakPolarHBondContact O-CD2 3.47Å
135	L	97.6	Very high	97.3	Very high	97 Å²	97	88.5 Å²	88.5	51%	0.508	44%	0.444	S	S	.	.	H	α-helix	trans	-68.4	-31.4	179.4	-67.1	179.4	0	0	0	112.9	L131 P132 E133 L137 Y138 S139	L131-L135 HydrophobicContact CD1-CD1 4.17Å; L131-L135 HydrophobicContact CD1-CD2 4.46Å; L131-L135 HydrophobicContact CD1-CG 4.04Å; L131-L135 HydrophobicContact CD2-CD1 4.5Å; L131-L135 HydrophobicContact CG-CD1 3.94Å; L131-L135 HydrophobicContact CG-CG 4.23Å; L131-L135 WeakPolarHBondContact O-CG 3.34Å; L131-L135 PolarHBondContact O-N 2.88Å; P132-L135 PolarHBondContact O-N 2.83Å; E133-L135 PolarHBondContact O-N 3.43Å; L135-L137 VanDerWaalsContact C-N 3.34Å; L135-Y138 PolarHBondContact O-N 3.24Å; L135-S139 PolarHBondContact O-N 3.24Å
136	K	98.2	Very high	97	Very high	102 Å²	102	88.4 Å²	88.4	44%	0.443	44%	0.443	S	S	.	.	H	α-helix	trans	-60.7	-43.1	174.1	-179.4	-179.3	169.8	-170.5	0	111.5	P132 E133 K134 Y138 S139 E140	P132-K136 WeakPolarHBondContact O-CB 3.27Å; P132-K136 PolarHBondContact O-N 3.05Å; E133-K136 WeakPolarHBondContact O-CB 3.41Å; E133-K136 PolarHBondContact O-N 2.83Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 2.99Å; K136-Y138 VanDerWaalsContact C-N 3.31Å; K136-Y138 PolarHBondContact O-N 3.21Å; K136-S139 WeakPolarHBondContact O-CB 3.26Å; K136-S139 PolarHBondContact O-N 3.31Å; K136-S139 VanDerWaalsContact O-N 3.11Å; K136-E140 WeakPolarHBondContact CE-OE1 3.34Å; K136-E140 HydrophobicContact CG-CG 4.44Å; K136-E140 WeakPolarHBondContact O-CG 3.36Å; K136-E140 PolarHBondContact O-N 2.95Å
137	L	98.3	Very high	96.9	Very high	110 Å²	110	86.3 Å²	86.3	58%	0.576	43%	0.432	S	S	*	.	H	α-helix	trans	-59	-41.6	175.9	-62	175.2	0	0	0	112	E133 K134 L135 F141	E133-L137 WeakPolarHBondContact O-CG 3Å; E133-L137 PolarHBondContact O-N 3.48Å; K134-L137 PolarHBondContact O-N 3.09Å; L135-L137 VanDerWaalsContact C-N 3.34Å; L137-F141 VanDerWaalsContact O-CB 3.22Å; L137-F141 WeakPolarHBondContact O-CB 3.48Å; L137-F141 PolarHBondContact O-N 3.25Å
138	Y	98.2	Very high	96.7	Very high	40 Å²	40	88.2 Å²	88.2	16%	0.157	44%	0.441	C	S	.	.	H	α-helix	trans	-65.6	-41.4	174.2	-73.5	-71	0	0	0	112.7	L100 Q103 T104 N107 K134 L135 K136 F141 L142 F148	L100-Y138 HydrophobicContact CD1-CD1 3.86Å; L100-Y138 HydrophobicContact CD1-CE1 3.67Å; Q103-Y138 HydrophobicContact CG-CE1 4.26Å; Q103-Y138 PolarHBondContact O-OH 3.33Å; T104-Y138 WeakPolarHBondContact CA-OH 3.28Å; T104-Y138 HydrophobicContact CG2-CE1 3.78Å; T104-Y138 PolarHBondContact N-OH 3.19Å; N107-Y138 WeakPolarHBondContact OD1-CE2 3.23Å; N107-Y138 PolarHBondContact OD1-OH 2.72Å; K134-Y138 VanDerWaalsContact O-CD2 3.27Å; K134-Y138 WeakPolarHBondContact O-CD2 3.47Å; L135-Y138 PolarHBondContact O-N 3.24Å; K136-Y138 VanDerWaalsContact C-N 3.31Å; K136-Y138 PolarHBondContact O-N 3.21Å; Y138-F141 PolarHBondContact O-N 3.3Å; Y138-L142 WeakPolarHBondContact O-CB 3.14Å; Y138-L142 PolarHBondContact O-N 2.99Å; Y138-F148 HydrophobicContact CD1-CE1 4.28Å; Y138-F148 HydrophobicContact CD1-CZ 4.32Å
139	S	98.3	Very high	96.4	Very high	82 Å²	82	85.3 Å²	85.3	57%	0.573	43%	0.429	S	S	*	.	H	α-helix	trans	-60.5	-47.7	177.4	-174.4	0	0	0	0	111.5	L135 K136 L142 G143	L135-S139 PolarHBondContact O-N 3.24Å; K136-S139 WeakPolarHBondContact O-CB 3.26Å; K136-S139 PolarHBondContact O-N 3.31Å; K136-S139 VanDerWaalsContact O-N 3.11Å; S139-L142 PolarHBondContact O-N 3.3Å; S139-G143 PolarHBondContact O-N 2.94Å
140	E	98.3	Very high	96	Very high	120 Å²	120	78.4 Å²	78.4	56%	0.561	40%	0.4	S	S	*	.	H	α-helix	trans	-64.9	-42.1	177	-70.4	173.7	175.8	0	0	111.7	K136 L142 G143	K136-E140 WeakPolarHBondContact CE-OE1 3.34Å; K136-E140 HydrophobicContact CG-CG 4.44Å; K136-E140 WeakPolarHBondContact O-CG 3.36Å; K136-E140 PolarHBondContact O-N 2.95Å; E140-L142 PolarHBondContact O-N 3.23Å; E140-G143 PolarHBondContact O-N 3.49Å
141	F	97.8	Very high	95.5	Very high	54 Å²	54	81.1 Å²	81.1	24%	0.237	42%	0.417	C	S	.	.	H	α-helix	trans	-63.5	-41	177.6	-174	-102.8	0	0	0	112.1	R96 L100 L137 Y138 R145 F148	R96-F141 HydrophobicContact CB-CE1 4.43Å; R96-F141 HydrophobicContact CB-CZ 3.81Å; R96-F141 HydrophobicContact CG-CE2 4.36Å; R96-F141 HydrophobicContact CG-CZ 3.81Å; R96-F141 PolarHBondContact NH2-O 3.37Å; L100-F141 HydrophobicContact CB-CE1 4.33Å; L100-F141 HydrophobicContact CD1-CD1 4.22Å; L100-F141 HydrophobicContact CD1-CE1 4.19Å; L137-F141 VanDerWaalsContact O-CB 3.22Å; L137-F141 WeakPolarHBondContact O-CB 3.48Å; L137-F141 PolarHBondContact O-N 3.25Å; Y138-F141 PolarHBondContact O-N 3.3Å; F141-R145 PolarHBondContact O-NH1 2.83Å; F141-F148 AromaticContact CD1-CD1 3.7Å; F141-F148 HydrophobicContact CD1-CD1 3.7Å; F141-F148 HydrophobicContact CD1-CE1 4.1Å; F141-F148 HydrophobicContact CE1-CD1 4.11Å
142	L	97.4	Very high	94.6	Very high	50 Å²	50	85.1 Å²	85.1	26%	0.262	43%	0.432	S	S	.	.	H	α-helix	trans	-64.6	-49.4	173.2	-178.1	63.2	0	0	0	110.9	Y138 S139 E140 K144 R145 F148	Y138-L142 WeakPolarHBondContact O-CB 3.14Å; Y138-L142 PolarHBondContact O-N 2.99Å; S139-L142 PolarHBondContact O-N 3.3Å; E140-L142 PolarHBondContact O-N 3.23Å; L142-K144 PolarHBondContact O-N 3.28Å; L142-R145 HydrophobicContact CD1-CB 4.46Å; L142-R145 WeakPolarHBondContact CD1-O 3.4Å; L142-R145 WeakPolarHBondContact O-CB 3.44Å; L142-R145 PolarHBondContact O-N 3.25Å; L142-R145 PolarHBondContact O-NH1 3.39Å; L142-F148 HydrophobicContact CB-CD1 4.19Å; L142-F148 HydrophobicContact CB-CE1 3.87Å; L142-F148 HydrophobicContact CB-CZ 4.4Å; L142-F148 HydrophobicContact CD1-CD1 4.11Å; L142-F148 HydrophobicContact CD1-CD2 4.43Å; L142-F148 HydrophobicContact CD1-CE1 4.38Å; L142-F148 HydrophobicContact CD1-CG 4.15Å
143	G	96.8	Very high	93.3	Very high	45 Å²	45	82.6 Å²	82.6	46%	0.464	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	-126.6	-178.8	0	0	0	0	0	111.7	S139 E140	S139-G143 PolarHBondContact O-N 2.94Å; E140-G143 PolarHBondContact O-N 3.49Å
144	K	96.5	Very high	92.2	Very high	217 Å²	217	79.6 Å²	79.6	94%	0.943	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	2.8	179.5	-61.3	-177.3	-179.4	179.2	0	113.8	L142	L142-K144 PolarHBondContact O-N 3.28Å
145	R	94.3	Very high	90.9	Very high	98 Å²	98	85.1 Å²	85.1	37%	0.37	43%	0.434	S	S	.	.			trans	-74.6	143.3	-176.7	-59	173.5	-166.4	84.1	-2.2	109.4	R96 F141 L142 W147	R96-R145 VanDerWaalsContact CZ-CZ 3.5Å; F141-R145 PolarHBondContact O-NH1 2.83Å; L142-R145 HydrophobicContact CD1-CB 4.46Å; L142-R145 WeakPolarHBondContact CD1-O 3.4Å; L142-R145 WeakPolarHBondContact O-CB 3.44Å; L142-R145 PolarHBondContact O-N 3.25Å; L142-R145 PolarHBondContact O-NH1 3.39Å; R145-W147 WeakPolarHBondContact CB-O 3.29Å; R145-W147 PolarHBondContact O-N 3.34Å
146	P	91.8	Very high	89.7	Confident	76 Å²	76	88.3 Å²	88.3	49%	0.494	44%	0.443	S	S	.	.	S	Bend	trans	-69.1	-26.1	173.5	30.1	-35.5	0	0	0	111.9	N151	P146-N151 WeakPolarHBondContact CD-OD1 3.39Å; P146-N151 HydrophobicContact CG-CB 4.46Å
147	W	93.8	Very high	88.9	Confident	88 Å²	88	85 Å²	85	33%	0.333	43%	0.431	S	S	.	.	S	Bend	trans	-135.4	157.5	178.5	-54.2	101.2	0	0	0	111.4	R145 A149 G150 K152 L154 E155	R145-W147 WeakPolarHBondContact CB-O 3.29Å; R145-W147 PolarHBondContact O-N 3.34Å; W147-A149 PolarHBondContact O-N 2.69Å; W147-G150 WeakPolarHBondContact CB-O 3.41Å; W147-G150 PolarHBondContact N-O 3.49Å; W147-G150 VanDerWaalsContact N-O 3.14Å; W147-G150 PolarHBondContact O-N 2.99Å; W147-G150 VanDerWaalsContact O-O 3.06Å; W147-K152 WeakPolarHBondContact CB-O 3.36Å; W147-L154 VanDerWaalsContact CH2-O 3.32Å; W147-L154 WeakPolarHBondContact CH2-O 3.35Å; W147-E155 HydrophobicContact CZ2-CG 4.11Å
148	F	94.4	Very high	88	Confident	72 Å²	72	83.5 Å²	83.5	32%	0.316	43%	0.429	S	S	.	.	S	Bend	trans	-62.3	-37.9	-174.8	-84.2	-75.8	0	0	0	114.2	R96 L100 Y138 F141 L142	R96-F148 VanDerWaalsContact CZ-O 3.23Å; R96-F148 PolarHBondContact NE-O 2.91Å; R96-F148 PolarHBondContact NH2-O 3.4Å; L100-F148 HydrophobicContact CD1-CD1 3.93Å; L100-F148 HydrophobicContact CD1-CE1 4Å; L100-F148 HydrophobicContact CD1-CG 4.37Å; L100-F148 HydrophobicContact CD2-CB 3.44Å; L100-F148 VanDerWaalsContact CD2-CB 3.44Å; L100-F148 HydrophobicContact CD2-CD1 3.8Å; L100-F148 HydrophobicContact CD2-CD2 3.82Å; L100-F148 HydrophobicContact CD2-CE1 4.47Å; L100-F148 HydrophobicContact CD2-CE2 4.5Å; L100-F148 HydrophobicContact CD2-CG 3.41Å; L100-F148 VanDerWaalsContact CD2-CG 3.41Å; Y138-F148 HydrophobicContact CD1-CE1 4.28Å; Y138-F148 HydrophobicContact CD1-CZ 4.32Å; F141-F148 AromaticContact CD1-CD1 3.7Å; F141-F148 HydrophobicContact CD1-CD1 3.7Å; F141-F148 HydrophobicContact CD1-CE1 4.1Å; F141-F148 HydrophobicContact CE1-CD1 4.11Å; L142-F148 HydrophobicContact CB-CD1 4.19Å; L142-F148 HydrophobicContact CB-CE1 3.87Å; L142-F148 HydrophobicContact CB-CZ 4.4Å; L142-F148 HydrophobicContact CD1-CD1 4.11Å; L142-F148 HydrophobicContact CD1-CD2 4.43Å; L142-F148 HydrophobicContact CD1-CE1 4.38Å; L142-F148 HydrophobicContact CD1-CG 4.15Å
149	A	91.3	Very high	87.3	Confident	28 Å²	28	85.3 Å²	85.3	23%	0.231	45%	0.452	C	S	.	.	S	Bend	trans	-80.6	-26.2	177.4	0	0	0	0	0	112.4	V97 W147	V97-A149 HydrophobicContact CG2-CB 3.94Å; W147-A149 PolarHBondContact O-N 2.69Å
150	G	88.8	Confident	86.6	Confident	10 Å²	10	81.9 Å²	81.9	10%	0.103	43%	0.427	C	S	.	.	S	Bend	trans	163	-132.3	-174.4	0	0	0	0	0	112.9	W147	W147-G150 WeakPolarHBondContact CB-O 3.41Å; W147-G150 PolarHBondContact N-O 3.49Å; W147-G150 VanDerWaalsContact N-O 3.14Å; W147-G150 PolarHBondContact O-N 2.99Å; W147-G150 VanDerWaalsContact O-O 3.06Å
151	N	85.8	Confident	86.1	Confident	133 Å²	133	80.7 Å²	80.7	71%	0.711	42%	0.423	S	S	*	.	S	Bend	trans	-98	-11.1	-175.6	-65.6	-29	0	0	0	114.3	P146	P146-N151 WeakPolarHBondContact CD-OD1 3.39Å; P146-N151 HydrophobicContact CG-CB 4.46Å
152	K	78.8	Confident	85.7	Confident	133 Å²	133	86.8 Å²	86.8	58%	0.578	45%	0.449	S	S	*	.			trans	-100	139.1	179.2	-66.3	174.6	176.1	173.6	0	110.3	E89 W147	E89-K152 IonicContact OE1-NZ 2.79Å; E89-K152 PolarHBondContact OE1-NZ 3.39Å; E89-K152 IonicContact OE2-NZ 2.64Å; E89-K152 PolarHBondContact OE2-NZ 2.92Å; W147-K152 WeakPolarHBondContact CB-O 3.36Å
153	G	72.1	Confident	85.3	Confident	23 Å²	23	86.4 Å²	86.4	24%	0.237	45%	0.45	C	S	.	.			trans	-176.4	-167.1	176.9	0	0	0	0	0	114.5	Y23 E155	Y23-G153 PolarHBondContact OH-O 3.05Å; G153-E155 PolarHBondContact O-N 3.46Å
154	L	71.9	Confident	85.1	Confident	55 Å²	55	90.5 Å²	90.5	29%	0.288	47%	0.472	S	S	.	.			trans	-93	79.4	-164.1	-46.8	-178.7	0	0	0	112.3	L20 Y23 L86 W147 K156 I157	L20-L154 HydrophobicContact CD1-CD1 4.14Å; L20-L154 HydrophobicContact CD1-CD2 4.37Å; Y23-L154 HydrophobicContact CD1-CB 4.45Å; Y23-L154 HydrophobicContact CD1-CD2 3.39Å; Y23-L154 HydrophobicContact CD1-CG 4.32Å; Y23-L154 HydrophobicContact CD2-CB 3.66Å; Y23-L154 HydrophobicContact CD2-CD2 4.18Å; Y23-L154 HydrophobicContact CD2-CG 4.4Å; Y23-L154 HydrophobicContact CE1-CB 4.46Å; Y23-L154 HydrophobicContact CE1-CD2 3.21Å; Y23-L154 HydrophobicContact CE1-CG 4.35Å; Y23-L154 HydrophobicContact CE2-CB 3.69Å; Y23-L154 HydrophobicContact CE2-CD2 4.05Å; Y23-L154 HydrophobicContact CE2-CG 4.44Å; Y23-L154 HydrophobicContact CG-CB 4.04Å; Y23-L154 HydrophobicContact CG-CD1 4.47Å; Y23-L154 HydrophobicContact CG-CD2 3.85Å; Y23-L154 HydrophobicContact CG-CG 4.31Å; L86-L154 HydrophobicContact CD1-CD2 4.13Å; L86-L154 HydrophobicContact CD2-CD2 4.44Å; W147-L154 VanDerWaalsContact CH2-O 3.32Å; W147-L154 WeakPolarHBondContact CH2-O 3.35Å; L154-K156 VanDerWaalsContact C-N 3.28Å; L154-K156 PolarHBondContact O-N 2.92Å; L154-I157 HydrophobicContact CB-CD1 4.23Å; L154-I157 HydrophobicContact CD1-CD1 4.42Å
155	E	68.3	Low	84.8	Confident	155 Å²	155	86.7 Å²	86.7	72%	0.724	45%	0.452	S	S	*	.			trans	-67.6	-15.9	-172.4	-64.6	-177.7	173.6	0	0	115.8	W147 G153	W147-E155 HydrophobicContact CZ2-CG 4.11Å; G153-E155 PolarHBondContact O-N 3.46Å
156	K	72.2	Confident	84.9	Confident	163 Å²	163	84.7 Å²	84.7	71%	0.709	45%	0.446	S	S	*	.			trans	-133.5	91.7	-167	-64.1	-178.1	-175.7	174.9	0	113.1	L154	L154-K156 VanDerWaalsContact C-N 3.28Å; L154-K156 PolarHBondContact O-N 2.92Å
157	I	81	Confident	85	Confident	34 Å²	34	82.2 Å²	82.2	17%	0.174	43%	0.428	C	S	.	.			trans	-127.5	-9.5	173.9	-62.4	179.6	0	0	0	112.3	L19 Y23 L154 A159 Y160 M161	L19-I157 HydrophobicContact CB-CD1 4.38Å; L19-I157 HydrophobicContact CD2-CG2 3.41Å; L19-I157 VanDerWaalsContact CD2-CG2 3.41Å; Y23-I157 HydrophobicContact CD2-CG1 4.45Å; L154-I157 HydrophobicContact CB-CD1 4.23Å; L154-I157 HydrophobicContact CD1-CD1 4.42Å; I157-A159 VanDerWaalsContact C-N 3.29Å; I157-A159 PolarHBondContact O-N 3.14Å; I157-Y160 HydrophobicContact CG2-CD1 4.25Å; I157-Y160 PolarHBondContact O-N 3.38Å; I157-Y160 VanDerWaalsContact O-N 3.12Å; I157-M161 HydrophobicContact CG2-CE 3.82Å; I157-M161 HydrophobicContact CG2-CG 4.14Å; I157-M161 HydrophobicContact CG2-SD 4.49Å; I157-M161 PolarHBondContact O-N 2.78Å
158	S	80.5	Confident	85.1	Confident	78 Å²	78	80.3 Å²	80.3	55%	0.545	43%	0.427	S	S	.	.	H	α-helix	trans	-61.2	-32.3	-173.5	62.5	0	0	0	0	114.3	K162	S158-K162 WeakPolarHBondContact O-CG 3.49Å; S158-K162 PolarHBondContact O-N 3.22Å
159	A	83	Confident	85.2	Confident	78 Å²	78	82.6 Å²	82.6	65%	0.645	43%	0.434	S	S	*	.	H	α-helix	trans	-64.1	-46.1	175.8	0	0	0	0	0	111.5	I157 M161 K162 S163	I157-A159 VanDerWaalsContact C-N 3.29Å; I157-A159 PolarHBondContact O-N 3.14Å; A159-M161 PolarHBondContact O-N 2.96Å; A159-K162 PolarHBondContact O-N 3.12Å; A159-S163 PolarHBondContact O-N 3.03Å
160	Y	84.2	Confident	85.6	Confident	9 Å²	9	82.5 Å²	82.5	4%	0.035	43%	0.431	C	S	.	.	H	α-helix	trans	-60.6	-46.3	176.5	167.3	-118.6	0	0	0	111.6	L19 E22 I157 K162 S163 R165 F166	L19-Y160 HydrophobicContact CD2-CD1 3.63Å; L19-Y160 HydrophobicContact CD2-CE1 3.54Å; L19-Y160 HydrophobicContact CG-CE1 4.21Å; E22-Y160 HydrophobicContact CB-CD1 4.37Å; E22-Y160 HydrophobicContact CB-CD2 4.25Å; E22-Y160 HydrophobicContact CB-CG 3.95Å; E22-Y160 HydrophobicContact CG-CD1 4.1Å; E22-Y160 HydrophobicContact CG-CD2 3.39Å; E22-Y160 HydrophobicContact CG-CE1 4.37Å; E22-Y160 HydrophobicContact CG-CE2 3.74Å; E22-Y160 HydrophobicContact CG-CG 3.58Å; I157-Y160 HydrophobicContact CG2-CD1 4.25Å; I157-Y160 PolarHBondContact O-N 3.38Å; I157-Y160 VanDerWaalsContact O-N 3.12Å; Y160-K162 PolarHBondContact O-N 2.81Å; Y160-S163 WeakPolarHBondContact O-CB 3.4Å; Y160-S163 PolarHBondContact O-N 3.19Å; Y160-S163 PolarHBondContact O-OG 3.43Å; Y160-R165 HydrophobicContact CD2-CB 4.25Å; Y160-R165 HydrophobicContact CE2-CB 3.79Å; Y160-R165 PolarHBondContact OH-O 3.44Å; Y160-F166 HydrophobicContact CD1-CD2 4.08Å; Y160-F166 AromaticContact CE1-CD2 3.58Å; Y160-F166 HydrophobicContact CE1-CD2 3.58Å; Y160-F166 HydrophobicContact CE1-CE2 4.24Å; Y160-F166 HydrophobicContact CE2-CB 4.39Å; Y160-F166 AromaticContact CZ-CD2 3.91Å; Y160-F166 WeakPolarHBondContact O-CB 3.4Å
161	M	88.2	Confident	86	Confident	96 Å²	96	82.8 Å²	82.8	47%	0.473	43%	0.43	S	S	.	.	H	α-helix	trans	-60.6	-19.7	-179.7	-68	-177.8	175	0	0	114.2	L19 I157 A159 F166	L19-M161 HydrophobicContact CD2-CE 4.32Å; I157-M161 HydrophobicContact CG2-CE 3.82Å; I157-M161 HydrophobicContact CG2-CG 4.14Å; I157-M161 HydrophobicContact CG2-SD 4.49Å; I157-M161 PolarHBondContact O-N 2.78Å; A159-M161 PolarHBondContact O-N 2.96Å; M161-F166 HydrophobicContact CB-CD1 4.43Å; M161-F166 HydrophobicContact CB-CE1 4.39Å; M161-F166 HydrophobicContact CB-CZ 4.45Å; M161-F166 HydrophobicContact CG-CD2 4.3Å; M161-F166 HydrophobicContact CG-CE1 4.49Å; M161-F166 HydrophobicContact CG-CE2 3.95Å; M161-F166 HydrophobicContact CG-CZ 4.06Å; M161-F166 VanDerWaalsContact O-CD1 3.3Å; M161-F166 WeakPolarHBondContact O-CD1 3.5Å
162	K	89.4	Confident	86.6	Confident	182 Å²	182	76.9 Å²	76.9	79%	0.791	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.7	175.9	-66.3	174.5	-177.1	-179.5	0	113.3	S158 A159 Y160	S158-K162 WeakPolarHBondContact O-CG 3.49Å; S158-K162 PolarHBondContact O-N 3.22Å; A159-K162 PolarHBondContact O-N 3.12Å; Y160-K162 PolarHBondContact O-N 2.81Å
163	S	89.3	Confident	87.5	Confident	42 Å²	42	71 Å²	71	29%	0.294	37%	0.374	S	S	.	.	S	Bend	trans	-85.7	161.6	-178.1	79.1	0	0	0	0	112.1	A159 Y160 R165 F166	A159-S163 PolarHBondContact O-N 3.03Å; Y160-S163 WeakPolarHBondContact O-CB 3.4Å; Y160-S163 PolarHBondContact O-N 3.19Å; Y160-S163 PolarHBondContact O-OG 3.43Å; S163-R165 PolarHBondContact O-N 3.28Å; S163-R165 PolarHBondContact OG-N 3.07Å; S163-F166 WeakPolarHBondContact O-CB 3.43Å; S163-F166 PolarHBondContact O-N 3.24Å
164	S	91.6	Very high	88.7	Confident	131 Å²	131	72.9 Å²	72.9	92%	0.916	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.1	172.5	54.3	0	0	0	0	113.8	F166	S164-F166 VanDerWaalsContact C-N 3.3Å
165	R	91.1	Very high	90	Very high	137 Å²	137	73.8 Å²	73.8	52%	0.517	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.8	174.9	-59.8	-162.6	-65	-134.2	-1.5	112.3	E22 Y160 S163 L167	E22-R165 VanDerWaalsContact CD-NH2 3.26Å; E22-R165 IonicContact OE1-CZ 3.76Å; E22-R165 IonicContact OE1-NE 2.71Å; E22-R165 PolarHBondContact OE1-NE 3.26Å; E22-R165 IonicContact OE1-NH2 3.26Å; E22-R165 PolarHBondContact OE1-NH2 2.91Å; E22-R165 IonicContact OE2-CZ 2.69Å; E22-R165 IonicContact OE2-NE 2.83Å; E22-R165 IonicContact OE2-NH2 2.72Å; E22-R165 PolarHBondContact OE2-NH2 3.03Å; Y160-R165 HydrophobicContact CD2-CB 4.25Å; Y160-R165 HydrophobicContact CE2-CB 3.79Å; Y160-R165 PolarHBondContact OH-O 3.44Å; S163-R165 PolarHBondContact O-N 3.28Å; S163-R165 PolarHBondContact OG-N 3.07Å; R165-L167 PolarHBondContact O-N 3.36Å; R165-L167 VanDerWaalsContact O-N 3.16Å
166	F	94.8	Very high	91.4	Very high	55 Å²	55	66.5 Å²	66.5	24%	0.241	35%	0.346	C	S	.	.			trans	-65.4	117.1	-178	-175	-131.2	0	0	0	111.3	H15 Y160 M161 S163 S164 P168	H15-F166 AromaticContact CE1-CE2 3.71Å; Y160-F166 HydrophobicContact CD1-CD2 4.08Å; Y160-F166 AromaticContact CE1-CD2 3.58Å; Y160-F166 HydrophobicContact CE1-CD2 3.58Å; Y160-F166 HydrophobicContact CE1-CE2 4.24Å; Y160-F166 HydrophobicContact CE2-CB 4.39Å; Y160-F166 AromaticContact CZ-CD2 3.91Å; Y160-F166 WeakPolarHBondContact O-CB 3.4Å; M161-F166 HydrophobicContact CB-CD1 4.43Å; M161-F166 HydrophobicContact CB-CE1 4.39Å; M161-F166 HydrophobicContact CB-CZ 4.45Å; M161-F166 HydrophobicContact CG-CD2 4.3Å; M161-F166 HydrophobicContact CG-CE1 4.49Å; M161-F166 HydrophobicContact CG-CE2 3.95Å; M161-F166 HydrophobicContact CG-CZ 4.06Å; M161-F166 VanDerWaalsContact O-CD1 3.3Å; M161-F166 WeakPolarHBondContact O-CD1 3.5Å; S163-F166 WeakPolarHBondContact O-CB 3.43Å; S163-F166 PolarHBondContact O-N 3.24Å; S164-F166 VanDerWaalsContact C-N 3.3Å; F166-P168 VanDerWaalsContact C-CD 3.4Å; F166-P168 HydrophobicContact CD1-CB 4.21Å; F166-P168 HydrophobicContact CD1-CG 3.83Å; F166-P168 HydrophobicContact CE1-CB 3.59Å; F166-P168 HydrophobicContact CE1-CG 3.64Å; F166-P168 HydrophobicContact CE2-CB 4.44Å; F166-P168 HydrophobicContact CZ-CB 3.72Å; F166-P168 HydrophobicContact CZ-CG 4.27Å; F166-P168 WeakPolarHBondContact O-CD 3.46Å
167	L	95.3	Very high	92.6	Very high	25 Å²	25	62.1 Å²	62.1	13%	0.131	33%	0.333	C	S	.	.			trans	-112.1	80.3	178.9	-166.4	65.8	0	0	0	111.3	D9 I10 R165 R169	D9-L167 WeakPolarHBondContact OD1-CD2 3.29Å; I10-L167 WeakPolarHBondContact O-CD2 3.32Å; R165-L167 PolarHBondContact O-N 3.36Å; R165-L167 VanDerWaalsContact O-N 3.16Å; L167-R169 VanDerWaalsContact CD1-O 3.24Å; L167-R169 WeakPolarHBondContact CD1-O 3.45Å
168	P	96.2	Very high	93.4	Very high	47 Å²	47	66 Å²	66	31%	0.305	35%	0.345	S	S	.	.			trans	-81.3	-18.4	178.7	31.6	-34.6	0	0	0	113.5	R11 F166	R11-P168 WeakPolarHBondContact CD-O 3.49Å; F166-P168 VanDerWaalsContact C-CD 3.4Å; F166-P168 HydrophobicContact CD1-CB 4.21Å; F166-P168 HydrophobicContact CD1-CG 3.83Å; F166-P168 HydrophobicContact CE1-CB 3.59Å; F166-P168 HydrophobicContact CE1-CG 3.64Å; F166-P168 HydrophobicContact CE2-CB 4.44Å; F166-P168 HydrophobicContact CZ-CB 3.72Å; F166-P168 HydrophobicContact CZ-CG 4.27Å; F166-P168 WeakPolarHBondContact O-CD 3.46Å
169	R	96.6	Very high	94.2	Very high	121 Å²	121	62.9 Å²	62.9	46%	0.457	33%	0.325	S	S	.	.			trans	-143.9	153.5	-176.4	-68.5	-63.1	-177	-89.9	0.3	110.8	L167	L167-R169 VanDerWaalsContact CD1-O 3.24Å; L167-R169 WeakPolarHBondContact CD1-O 3.45Å
170	P	98.1	Very high	94.9	Very high	26 Å²	26	61.6 Å²	61.6	17%	0.169	31%	0.308	C	S	.	.			cis	-66.7	153.5	-7	30.6	-37.8	0	0	0	111.5	I10 R11	I10-P170 HydrophobicContact CB-CG 3.94Å; I10-P170 HydrophobicContact CG2-CG 3.6Å; R11-P170 VanDerWaalsContact CB-O 3.24Å; R11-P170 WeakPolarHBondContact CB-O 3.4Å; R11-P170 PolarHBondContact N-O 3.42Å
171	V	97.9	Very high	95.3	Very high	15 Å²	15	70.7 Å²	70.7	9%	0.091	35%	0.347	C	S	.	.	S	Bend	trans	-67.6	-45.9	-179.6	-178.5	0	0	0	0	110.2	G12 G179	G12-V171 PolarHBondContact N-O 3.39Å; V171-G179 PolarHBondContact N-O 3.15Å
172	F	98.4	Very high	95.7	Very high	9 Å²	9	69.5 Å²	69.5	4%	0.039	34%	0.341	C	S	.	.	S	Bend	trans	-123.7	173.5	-175.6	-65.8	-62	0	0	0	110.6	L111 C115 Y116 A176 W178 G179	L111-F172 HydrophobicContact CD2-CZ 4.28Å; L111-F172 HydrophobicContact CG-CE2 4.37Å; L111-F172 HydrophobicContact CG-CZ 4.14Å; C115-F172 HydrophobicContact CB-CD2 3.82Å; C115-F172 HydrophobicContact CB-CE2 3.64Å; C115-F172 HydrophobicContact CB-CZ 4.43Å; Y116-F172 HydrophobicContact CE2-CB 3.76Å; Y116-F172 AromaticContact CE2-CD1 3.7Å; Y116-F172 HydrophobicContact CE2-CD1 3.7Å; Y116-F172 HydrophobicContact CE2-CE1 4.44Å; Y116-F172 AromaticContact CE2-CG 3.79Å; Y116-F172 HydrophobicContact CE2-CG 3.79Å; F172-A176 HydrophobicContact CB-CB 3.6Å; F172-A176 HydrophobicContact CG-CB 4.43Å; F172-W178 HydrophobicContact CD2-CE3 4.4Å; F172-W178 HydrophobicContact CE2-CE3 4.29Å; F172-W178 HydrophobicContact CE2-CZ3 4.28Å; F172-G179 PolarHBondContact N-O 2.95Å
173	S	97.8	Very high	96	Very high	10 Å²	10	63.5 Å²	63.5	7%	0.07	32%	0.318	C	S	.	.			trans	-68.5	166.6	179.6	69	0	0	0	0	112.2	Y116 M175 A176 N180	Y116-S173 VanDerWaalsContact CE1-OG 3.23Å; Y116-S173 WeakPolarHBondContact CE1-OG 3.48Å; Y116-S173 WeakPolarHBondContact OH-CB 3.3Å; Y116-S173 PolarHBondContact OH-N 3.21Å; Y116-S173 PolarHBondContact OH-OG 3.2Å; S173-M175 PolarHBondContact O-N 2.87Å; S173-A176 WeakPolarHBondContact O-CB 3.41Å; S173-A176 PolarHBondContact O-N 2.97Å; S173-N180 WeakPolarHBondContact O-CB 3.36Å
174	K	97.9	Very high	96.4	Very high	62 Å²	62	64.7 Å²	64.7	27%	0.27	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.4	177.1	-68.1	-178	175.8	-178.4	0	114.9	M35 G36 D37 Y41 A176	M35-K174 WeakPolarHBondContact O-CD 3.43Å; M35-K174 VanDerWaalsContact O-CE 3.24Å; M35-K174 WeakPolarHBondContact O-CE 3.32Å; M35-K174 PolarHBondContact O-NZ 3.26Å; M35-K174 HydrophobicContact SD-CB 4.22Å; G36-K174 VanDerWaalsContact O-CD 3.26Å; G36-K174 WeakPolarHBondContact O-CD 3.43Å; D37-K174 WeakPolarHBondContact OD1-CE 3.37Å; D37-K174 IonicContact OD1-NZ 2.79Å; D37-K174 PolarHBondContact OD1-NZ 3.26Å; D37-K174 IonicContact OD2-NZ 2.76Å; Y41-K174 HydrophobicContact CD1-CB 4.08Å; Y41-K174 HydrophobicContact CE1-CB 4.08Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 3.49Å
175	M	97.4	Very high	96.7	Very high	74 Å²	74	60.8 Å²	60.8	37%	0.365	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-11.3	177.8	-62.7	-179.7	73.6	0	0	115.2	M35 Y41 R43 Y116 S173	M35-M175 HydrophobicContact SD-CG 3.97Å; M35-M175 HydrophobicContact SD-SD 4.33Å; Y41-M175 HydrophobicContact CD1-CG 3.5Å; Y41-M175 VanDerWaalsContact CD1-CG 3.5Å; Y41-M175 HydrophobicContact CD2-CE 4.34Å; Y41-M175 HydrophobicContact CD2-CG 3.85Å; Y41-M175 HydrophobicContact CD2-SD 4.36Å; Y41-M175 HydrophobicContact CE1-CB 4.46Å; Y41-M175 HydrophobicContact CE1-CG 3.75Å; Y41-M175 HydrophobicContact CE2-CG 4.09Å; Y41-M175 HydrophobicContact CG-CG 3.53Å; Y41-M175 HydrophobicContact CG-SD 4.17Å; R43-M175 PolarHBondContact NH2-SD 3.11Å; Y116-M175 HydrophobicContact CD1-CB 4.46Å; Y116-M175 HydrophobicContact CE1-CB 4.19Å; S173-M175 PolarHBondContact O-N 2.87Å
176	A	98.1	Very high	97	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.025	27%	0.269	C	S	.	.			trans	-71.3	146	178.5	0	0	0	0	0	110.6	Y116 F172 S173 K174 W178 N180	Y116-A176 HydrophobicContact CD1-CB 4.02Å; Y116-A176 HydrophobicContact CD2-CB 4.05Å; Y116-A176 HydrophobicContact CE1-CB 3.88Å; Y116-A176 HydrophobicContact CE2-CB 3.92Å; Y116-A176 HydrophobicContact CG-CB 4.14Å; F172-A176 HydrophobicContact CB-CB 3.6Å; F172-A176 HydrophobicContact CG-CB 4.43Å; S173-A176 WeakPolarHBondContact O-CB 3.41Å; S173-A176 PolarHBondContact O-N 2.97Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 3.49Å; A176-W178 WeakPolarHBondContact CB-O 3.25Å; A176-N180 HydrophobicContact CB-CB 4.21Å; A176-N180 VanDerWaalsContact O-CB 3.29Å; A176-N180 WeakPolarHBondContact O-CB 3.48Å; A176-N180 VanDerWaalsContact O-CG 3.28Å; A176-N180 PolarHBondContact O-ND2 2.76Å
177	V	98.2	Very high	97.2	Very high	71 Å²	71	56.1 Å²	56.1	43%	0.43	27%	0.271	S	S	.	.	S	Bend	trans	-72.3	-38	171.9	179.3	0	0	0	0	110.3	C115 N117 F120	C115-V177 WeakPolarHBondContact O-CA 3.44Å; C115-V177 WeakPolarHBondContact O-CB 3.5Å; C115-V177 PolarHBondContact O-N 3.14Å; N117-V177 WeakPolarHBondContact O-CG2 3.49Å; F120-V177 HydrophobicContact CB-CB 4.1Å; F120-V177 HydrophobicContact CB-CG1 3.72Å; F120-V177 HydrophobicContact CD1-CG1 4.2Å; F120-V177 HydrophobicContact CG-CG1 4.15Å
178	W	98.3	Very high	97.3	Very high	114 Å²	114	58.4 Å²	58.4	43%	0.432	28%	0.281	S	S	.	.	S	Bend	trans	-122.3	141.5	175.7	-175.9	91.8	0	0	0	111.8	C115 F120 F172 A176 N180	C115-W178 HydrophobicContact CB-CB 4.39Å; C115-W178 HydrophobicContact CB-CE3 4.44Å; C115-W178 PolarHBondContact O-N 2.87Å; C115-W178 VanDerWaalsContact O-N 3.14Å; F120-W178 HydrophobicContact CD1-CB 4.37Å; F120-W178 HydrophobicContact CD2-CB 4.24Å; F120-W178 HydrophobicContact CE1-CB 3.88Å; F120-W178 AromaticContact CE1-CD1 4Å; F120-W178 HydrophobicContact CE1-CG 4.16Å; F120-W178 HydrophobicContact CE2-CB 3.75Å; F120-W178 HydrophobicContact CE2-CG 4.17Å; F120-W178 HydrophobicContact CZ-CB 3.54Å; F120-W178 AromaticContact CZ-CD1 3.73Å; F120-W178 HydrophobicContact CZ-CD2 4.5Å; F120-W178 AromaticContact CZ-CG 3.64Å; F120-W178 HydrophobicContact CZ-CG 3.64Å; F172-W178 HydrophobicContact CD2-CE3 4.4Å; F172-W178 HydrophobicContact CE2-CE3 4.29Å; F172-W178 HydrophobicContact CE2-CZ3 4.28Å; A176-W178 WeakPolarHBondContact CB-O 3.25Å; W178-N180 VanDerWaalsContact C-N 3.35Å
179	G	97.4	Very high	97.4	Very high	13 Å²	13	59.2 Å²	59.2	13%	0.134	28%	0.279	C	S	.	.	S	Bend	trans	78.4	15.7	176.6	0	0	0	0	0	114.7	V171 F172 K181	V171-G179 PolarHBondContact N-O 3.15Å; F172-G179 PolarHBondContact N-O 2.95Å; G179-K181 VanDerWaalsContact C-N 3.26Å; G179-K181 PolarHBondContact O-N 3.42Å
180	N	96.9	Very high	97.4	Very high	52 Å²	52	54.1 Å²	54.1	28%	0.278	26%	0.264	S	S	.	.			trans	-80.3	0.6	177.5	63.5	-23.4	0	0	0	114.7	S173 A176 W178	S173-N180 WeakPolarHBondContact O-CB 3.36Å; A176-N180 HydrophobicContact CB-CB 4.21Å; A176-N180 VanDerWaalsContact O-CB 3.29Å; A176-N180 WeakPolarHBondContact O-CB 3.48Å; A176-N180 VanDerWaalsContact O-CG 3.28Å; A176-N180 PolarHBondContact O-ND2 2.76Å; W178-N180 VanDerWaalsContact C-N 3.35Å
181	K	92.8	Very high	97.4	Very high	200 Å²	200	56.6 Å²	56.6	87%	0.87	27%	0.273	S	S	*	.			trans	-132.6	0	178.7	-62.4	-178	-177.1	-179.6	0	110.5	G179	G179-K181 VanDerWaalsContact C-N 3.26Å; G179-K181 PolarHBondContact O-N 3.42Å

Retrieved 181 of 181 residues in 353.7 ms (Link to these results)

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