A0A077ZI78_TRITR Loading...

RNA polymerase II subunit A C-terminal domain phosphatase SSU72

Protein phosphatase that catalyzes the dephosphorylation of the C-terminal domain of RNA polymerase II. Plays a role in RNA processing and termination.

AlphaFold DB , UniProt , Accession A0A077ZI78, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 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	95.7	Very high	98.3	Very high	63 Å²	63	17.4 Å²	17.4	31%	0.31	8%	0.082	S	C	.	.				0	145.5	0	-167.6	172.4	-69.4	0	0	108.4	F3 D101 V102 L157 E158 L163	M1-F3 HydrophobicContact CB-CE2 3.73Å; M1-F3 HydrophobicContact CB-CZ 3.92Å; M1-F3 HydrophobicContact CG-CE1 4.17Å; M1-F3 HydrophobicContact CG-CE2 3.86Å; M1-F3 HydrophobicContact CG-CZ 3.65Å; M1-F3 HydrophobicContact SD-CE1 3.69Å; M1-F3 HydrophobicContact SD-CE2 4.13Å; M1-F3 HydrophobicContact SD-CZ 3.31Å; M1-F3 WeakPolarHBondContact SD-CZ 3.26Å; M1-D101 VanDerWaalsContact C-OD2 3.29Å; M1-D101 WeakPolarHBondContact CA-OD2 3.42Å; M1-D101 HydrophobicContact CG-CB 3.42Å; M1-D101 VanDerWaalsContact CG-CB 3.42Å; M1-D101 VanDerWaalsContact CG-OD2 3.3Å; M1-D101 WeakPolarHBondContact CG-OD2 3.25Å; M1-D101 HydrophobicContact SD-CB 4.33Å; M1-V102 HydrophobicContact SD-CG2 3.98Å; M1-L157 HydrophobicContact CE-CB 4.46Å; M1-L157 WeakPolarHBondContact CE-O 3.42Å; M1-L157 HydrophobicContact SD-CB 4.03Å; M1-E158 HydrophobicContact CB-CG 3.9Å; M1-E158 HydrophobicContact SD-CG 4.33Å; M1-L163 HydrophobicContact CE-CB 4.31Å; M1-L163 HydrophobicContact CE-CD1 4.08Å; M1-L163 HydrophobicContact CE-CD2 3.85Å; M1-L163 HydrophobicContact CE-CG 4.31Å; M1-L163 HydrophobicContact SD-CD2 4.14Å
2	R	98.1	Very high	98.3	Very high	93 Å²	93	16.8 Å²	16.8	35%	0.351	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.1	176.3	-70.6	-172	-63.5	169.6	-0.3	110	T27 T99 F100 D101 V102	R2-T27 HydrophobicContact CG-CG2 3.88Å; R2-T99 PolarHBondContact NE-O 3.42Å; R2-T99 PolarHBondContact NH1-O 3.11Å; R2-T99 PolarHBondContact NH2-O 2.95Å; R2-T99 PolarHBondContact NH2-OG1 3.27Å; R2-F100 HydrophobicContact CB-CD1 4.22Å; R2-D101 PolarHBondContact N-OD2 3.02Å; R2-D101 PolarHBondContact O-N 3.43Å; R2-V102 PolarHBondContact O-N 3.27Å
3	F	98.7	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.9	-178.6	-62.3	-86.5	0	0	0	111.1	M1 F26 T27 V28 S29 V102 C154 L157 E158	M1-F3 HydrophobicContact CB-CE2 3.73Å; M1-F3 HydrophobicContact CB-CZ 3.92Å; M1-F3 HydrophobicContact CG-CE1 4.17Å; M1-F3 HydrophobicContact CG-CE2 3.86Å; M1-F3 HydrophobicContact CG-CZ 3.65Å; M1-F3 HydrophobicContact SD-CE1 3.69Å; M1-F3 HydrophobicContact SD-CE2 4.13Å; M1-F3 HydrophobicContact SD-CZ 3.31Å; M1-F3 WeakPolarHBondContact SD-CZ 3.26Å; F3-F26 HydrophobicContact CD2-CB 4.39Å; F3-F26 HydrophobicContact CD2-CD1 4.28Å; F3-F26 AromaticContact CE2-CD1 3.75Å; F3-F26 HydrophobicContact CE2-CD1 3.75Å; F3-F26 HydrophobicContact CE2-CE1 4.42Å; F3-F26 HydrophobicContact CZ-CD1 4.46Å; F3-T27 PolarHBondContact N-O 2.96Å; F3-V28 HydrophobicContact CB-CB 4.39Å; F3-V28 HydrophobicContact CB-CG2 4.28Å; F3-V28 CarbonylContact O-C 3.53Å; F3-V28 VanDerWaalsContact O-CA 3.31Å; F3-V28 WeakPolarHBondContact O-CA 3.38Å; F3-S29 PolarHBondContact O-N 2.98Å; F3-V102 CarbonylContact C-O 3.56Å; F3-V102 WeakPolarHBondContact CA-O 3.35Å; F3-V102 HydrophobicContact CD1-CB 3.77Å; F3-V102 HydrophobicContact CD1-CG1 4.32Å; F3-V102 HydrophobicContact CD1-CG2 4.41Å; F3-V102 HydrophobicContact CE1-CB 3.92Å; F3-V102 HydrophobicContact CE1-CG1 4.47Å; F3-V102 HydrophobicContact CE1-CG2 4.07Å; F3-C154 HydrophobicContact CD1-CB 4.43Å; F3-C154 VanDerWaalsContact CD1-SG 3.55Å; F3-C154 HydrophobicContact CE1-CB 3.91Å; F3-C154 VanDerWaalsContact CE1-SG 3.55Å; F3-C154 HydrophobicContact CE2-CB 4.26Å; F3-C154 HydrophobicContact CZ-CB 3.8Å; F3-L157 HydrophobicContact CE1-CD1 4.37Å; F3-E158 HydrophobicContact CE2-CG 4.1Å; F3-E158 HydrophobicContact CZ-CG 4.02Å
4	A	98.8	Very high	98.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.5	161.5	0	0	0	0	0	109.7	S29 F31 F100 V102 V103 I104	A4-S29 CarbonylContact C-O 3.51Å; A4-S29 VanDerWaalsContact CA-O 3.31Å; A4-S29 WeakPolarHBondContact CA-O 3.49Å; A4-F31 HydrophobicContact CB-CD2 4.09Å; A4-F31 HydrophobicContact CB-CE2 3.94Å; A4-F100 HydrophobicContact CB-CD1 3.81Å; A4-F100 HydrophobicContact CB-CD2 3.91Å; A4-F100 HydrophobicContact CB-CE1 3.96Å; A4-F100 HydrophobicContact CB-CE2 4.07Å; A4-F100 HydrophobicContact CB-CG 3.8Å; A4-F100 HydrophobicContact CB-CZ 4.1Å; A4-V102 PolarHBondContact N-O 3.16Å; A4-V103 HydrophobicContact CB-CG1 4.38Å; A4-V103 HydrophobicContact CB-CG2 4.15Å; A4-V103 CarbonylContact O-C 3.52Å; A4-V103 WeakPolarHBondContact O-CA 3.38Å; A4-I104 PolarHBondContact O-N 3.37Å
5	V	98.9	Very high	98.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.6	170.3	-170	0	0	0	0	109.6	S14 A17 L21 V28 S29 S30 F31 I104 M150	V5-S14 VanDerWaalsContact O-CB 3.3Å; V5-S14 WeakPolarHBondContact O-CB 3.3Å; V5-A17 HydrophobicContact CB-CB 4.24Å; V5-A17 HydrophobicContact CG1-CB 3.81Å; V5-A17 HydrophobicContact CG2-CB 4.03Å; V5-L21 HydrophobicContact CG2-CD1 3.77Å; V5-V28 HydrophobicContact CG2-CG2 4.02Å; V5-S29 PolarHBondContact N-O 3.46Å; V5-S30 CarbonylContact O-C 3.54Å; V5-S30 WeakPolarHBondContact O-CA 3.08Å; V5-S30 WeakPolarHBondContact O-CB 3.3Å; V5-F31 PolarHBondContact O-N 3.1Å; V5-I104 CarbonylContact C-O 3.55Å; V5-I104 WeakPolarHBondContact CA-O 3.06Å; V5-M150 HydrophobicContact CG1-CE 4.1Å; V5-M150 HydrophobicContact CG1-SD 3.68Å; V5-M150 HydrophobicContact CG2-SD 4.34Å
6	V	98.9	Very high	98.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.6	-170.2	-165	0	0	0	0	110.1	F31 T33 F93 V103 I104 C105 C106 V110	V6-F31 HydrophobicContact CG1-CB 4.29Å; V6-F31 HydrophobicContact CG2-CB 4.38Å; V6-T33 HydrophobicContact CG1-CG2 3.63Å; V6-F93 HydrophobicContact CG1-CB 4.09Å; V6-F93 HydrophobicContact CG1-CG 4.44Å; V6-F93 HydrophobicContact CG2-CD2 4.09Å; V6-F93 HydrophobicContact CG2-CE2 4.48Å; V6-F93 HydrophobicContact CG2-CG 4.26Å; V6-V103 HydrophobicContact CG2-CG1 3.62Å; V6-I104 PolarHBondContact N-O 3.06Å; V6-C105 WeakPolarHBondContact O-CA 3.48Å; V6-C106 PolarHBondContact O-N 3.34Å; V6-C106 PolarHBondContact O-SG 3.34Å; V6-C106 VanDerWaalsContact O-SG 3.32Å; V6-V110 HydrophobicContact CB-CG1 3.92Å; V6-V110 HydrophobicContact CG1-CG1 3.57Å
7	C	98.5	Very high	98.4	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.007	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	-164.3	169.8	78.3	0	0	0	0	110.4	N10 R13 S14 F31 G32 T33 C106	C7-N10 PolarHBondContact SG-N 2.7Å; C7-R13 HydrophobicContact CB-CB 4.16Å; C7-S14 PolarHBondContact SG-OG 3.05Å; C7-F31 PolarHBondContact N-O 3.31Å; C7-F31 VanDerWaalsContact N-O 3.1Å; C7-G32 CarbonylContact O-C 3.44Å; C7-G32 WeakPolarHBondContact O-CA 3.24Å; C7-T33 PolarHBondContact O-N 3.23Å; C7-C106 HydrophobicContact CB-CB 4.08Å
8	S	98.1	Very high	98.4	Very high	22 Å²	22	14.6 Å²	14.6	15%	0.154	7%	0.069	C	C	.	.	S	Bend	trans	-73.2	-56.4	179.3	-169.8	0	0	0	0	112.8	G32 T33 G34 R109	S8-G32 WeakPolarHBondContact O-CA 3.4Å; S8-T33 PolarHBondContact O-N 2.93Å; S8-G34 PolarHBondContact O-N 3.13Å; S8-R109 VanDerWaalsContact CB-NH2 3.25Å; S8-R109 PolarHBondContact OG-NH2 2.82Å
9	S	98.2	Very high	98.4	Very high	8 Å²	8	14.4 Å²	14.4	6%	0.056	7%	0.069	C	C	.	.	S	Bend	trans	-104.3	-3	-167.9	-62.3	0	0	0	0	114.8	M11 K38	S9-M11 VanDerWaalsContact C-N 3.3Å; S9-M11 PolarHBondContact O-N 3.4Å; S9-K38 PolarHBondContact OG-N 3.44Å; S9-K38 VanDerWaalsContact OG-N 3.15Å; S9-K38 PolarHBondContact OG-O 2.89Å
10	N	98.6	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	49.9	48.2	-169.9	-163.4	-156.6	0	0	0	113.3	C7 S14 M15 S30 F31 F52 Y56 K87 P90 E91	C7-N10 PolarHBondContact SG-N 2.7Å; N10-S14 PolarHBondContact ND2-OG 2.92Å; N10-M15 PolarHBondContact ND2-SD 2.68Å; N10-M15 VanDerWaalsContact ND2-SD 3.42Å; N10-M15 WeakPolarHBondContact O-CG 3.33Å; N10-S30 PolarHBondContact ND2-OG 2.92Å; N10-S30 PolarHBondContact OD1-O 2.9Å; N10-F31 PolarHBondContact ND2-N 2.88Å; N10-F52 HydrophobicContact CB-CE1 4.17Å; N10-Y56 PolarHBondContact O-OH 2.98Å; N10-Y56 PolarHBondContact OD1-OH 2.84Å; N10-K87 WeakPolarHBondContact OD1-CE 3.19Å; N10-K87 PolarHBondContact OD1-NZ 3.44Å; N10-P90 HydrophobicContact CB-CB 3.89Å; N10-P90 WeakPolarHBondContact OD1-CA 3.21Å; N10-E91 PolarHBondContact OD1-N 3.38Å
11	M	98.5	Very high	98.5	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.02	7%	0.066	C	C	.	.	S	Bend	trans	-122.9	-61.1	-172.8	-84.3	-67.7	-174	0	0	113.2	S9 M15 V37 L39 Y56 I59 M79 L80 R82 N83	S9-M11 VanDerWaalsContact C-N 3.3Å; S9-M11 PolarHBondContact O-N 3.4Å; M11-M15 WeakPolarHBondContact O-CB 3.35Å; M11-V37 HydrophobicContact CE-CG1 3.28Å; M11-V37 HydrophobicContact CG-CG1 3.74Å; M11-V37 HydrophobicContact SD-CG1 4.37Å; M11-L39 HydrophobicContact CB-CD2 3.94Å; M11-L39 HydrophobicContact CE-CD1 3.98Å; M11-L39 HydrophobicContact CE-CG 4.42Å; M11-L39 HydrophobicContact CG-CD2 3.71Å; M11-L39 HydrophobicContact CG-CG 4.4Å; M11-L39 HydrophobicContact SD-CD1 4.36Å; M11-L39 HydrophobicContact SD-CD2 4.08Å; M11-Y56 HydrophobicContact CE-CD1 3.83Å; M11-Y56 HydrophobicContact CE-CE1 3.81Å; M11-Y56 HydrophobicContact SD-CD1 3.93Å; M11-Y56 HydrophobicContact SD-CE1 3.61Å; M11-I59 HydrophobicContact CE-CD1 3.36Å; M11-I59 HydrophobicContact CE-CG2 4.28Å; M11-M79 HydrophobicContact CB-CE 4.16Å; M11-M79 HydrophobicContact SD-CE 4.16Å; M11-L80 HydrophobicContact CE-CD2 3.98Å; M11-L80 HydrophobicContact SD-CD2 3.93Å; M11-R82 PolarHBondContact O-NH2 2.96Å; M11-N83 PolarHBondContact O-ND2 2.67Å; M11-N83 PolarHBondContact O-OD1 3.24Å
12	N	98.5	Very high	98.6	Very high	10 Å²	10	13.9 Å²	13.9	5%	0.053	7%	0.073	C	C	.	.	S	Bend	trans	-100.2	-86.6	-175.3	-176.7	26.8	0	0	0	111.1	S14 M15 E16 M79 D138 N139 A143	N12-S14 PolarHBondContact O-N 3.4Å; N12-M15 PolarHBondContact O-N 2.74Å; N12-M15 VanDerWaalsContact O-N 3.1Å; N12-E16 PolarHBondContact O-N 3.06Å; N12-M79 HydrophobicContact CB-SD 3.69Å; N12-D138 WeakPolarHBondContact CB-OD1 3.2Å; N12-D138 PolarHBondContact ND2-OD1 2.87Å; N12-N139 VanDerWaalsContact ND2-C 3.26Å; N12-N139 PolarHBondContact ND2-O 3.45Å; N12-A143 VanDerWaalsContact OD1-CB 3.3Å; N12-A143 WeakPolarHBondContact OD1-CB 3.43Å
13	R	98.6	Very high	98.6	Very high	8 Å²	8	17.4 Å²	17.4	3%	0.03	9%	0.091	C	C	.	.	H	α-helix	trans	-46.9	-58.1	-173.9	-65.4	172.6	-76.5	166.3	-5.3	114.7	C7 M15 E16 A17 C106 E107 I136 D138 A143	C7-R13 HydrophobicContact CB-CB 4.16Å; R13-M15 VanDerWaalsContact C-N 3.33Å; R13-M15 PolarHBondContact O-N 2.71Å; R13-E16 PolarHBondContact O-N 3.35Å; R13-A17 WeakPolarHBondContact O-CB 3.44Å; R13-A17 PolarHBondContact O-N 3.28Å; R13-C106 HydrophobicContact CB-CB 4.12Å; R13-C106 PolarHBondContact NH1-O 3.38Å; R13-C106 VanDerWaalsContact NH1-O 3.17Å; R13-E107 IonicContact CZ-OE2 3.65Å; R13-E107 VanDerWaalsContact CZ-OE2 3.22Å; R13-E107 IonicContact NH1-OE2 2.7Å; R13-E107 PolarHBondContact NH1-OE2 3.49Å; R13-E107 IonicContact NH2-OE2 3.04Å; R13-E107 PolarHBondContact NH2-OE2 3.06Å; R13-I136 WeakPolarHBondContact CD-O 3.46Å; R13-I136 HydrophobicContact CG-CB 4.38Å; R13-I136 HydrophobicContact CG-CG2 3.9Å; R13-I136 PolarHBondContact NH1-O 3.43Å; R13-D138 IonicContact CZ-OD2 2.68Å; R13-D138 IonicContact NE-OD1 2.7Å; R13-D138 PolarHBondContact NE-OD1 3.26Å; R13-D138 IonicContact NE-OD2 3.28Å; R13-D138 IonicContact NH2-OD2 2.96Å; R13-D138 PolarHBondContact NH2-OD2 3.37Å; R13-A143 HydrophobicContact CG-CB 4.13Å
14	S	98.7	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.6	-26.1	-177.1	65.7	0	0	0	0	114.3	V5 C7 N10 N12 H18 S30 F31	V5-S14 VanDerWaalsContact O-CB 3.3Å; V5-S14 WeakPolarHBondContact O-CB 3.3Å; C7-S14 PolarHBondContact SG-OG 3.05Å; N10-S14 PolarHBondContact ND2-OG 2.92Å; N12-S14 PolarHBondContact O-N 3.4Å; S14-H18 WeakPolarHBondContact O-CB 3.29Å; S14-H18 PolarHBondContact O-N 3.43Å; S14-S30 VanDerWaalsContact O-CB 3.26Å; S14-S30 WeakPolarHBondContact O-CB 3.38Å; S14-F31 PolarHBondContact OG-O 3.29Å; S14-F31 VanDerWaalsContact OG-O 3.08Å
15	M	98.7	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-83.4	-34.3	177.9	-70.9	-61.3	-70	0	0	112.7	N10 M11 N12 R13 H18 S19 S30 Y56 N83 I86 K87	N10-M15 PolarHBondContact ND2-SD 2.68Å; N10-M15 VanDerWaalsContact ND2-SD 3.42Å; N10-M15 WeakPolarHBondContact O-CG 3.33Å; M11-M15 WeakPolarHBondContact O-CB 3.35Å; N12-M15 PolarHBondContact O-N 2.74Å; N12-M15 VanDerWaalsContact O-N 3.1Å; R13-M15 VanDerWaalsContact C-N 3.33Å; R13-M15 PolarHBondContact O-N 2.71Å; M15-H18 PolarHBondContact O-N 3.4Å; M15-S19 WeakPolarHBondContact O-CB 3.32Å; M15-S19 PolarHBondContact O-N 3.38Å; M15-S30 PolarHBondContact SD-OG 3.1Å; M15-Y56 HydrophobicContact CE-CE2 3.91Å; M15-Y56 PolarHBondContact SD-OH 2.84Å; M15-Y56 VanDerWaalsContact SD-OH 3.38Å; M15-N83 WeakPolarHBondContact CB-OD1 3.33Å; M15-N83 HydrophobicContact CE-CB 3.84Å; M15-I86 HydrophobicContact CE-CB 3.7Å; M15-I86 HydrophobicContact CE-CD1 3.9Å; M15-I86 HydrophobicContact CE-CG1 4.4Å; M15-I86 HydrophobicContact CE-CG2 3.71Å; M15-K87 HydrophobicContact CE-CG 4.13Å
16	E	98.7	Very high	98.5	Very high	29 Å²	29	28 Å²	28	14%	0.136	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-45.9	171.2	-172	56.4	-149.7	0	0	110.2	N12 R13 H18 S19 I20 R82 A143 A147	N12-E16 PolarHBondContact O-N 3.06Å; R13-E16 PolarHBondContact O-N 3.35Å; E16-H18 PolarHBondContact O-N 2.85Å; E16-S19 VanDerWaalsContact O-CB 3.31Å; E16-S19 WeakPolarHBondContact O-CB 3.37Å; E16-S19 PolarHBondContact O-N 3.05Å; E16-I20 HydrophobicContact CG-CD1 4.25Å; E16-I20 PolarHBondContact O-N 3.5Å; E16-I20 VanDerWaalsContact OE1-CD1 3.28Å; E16-I20 WeakPolarHBondContact OE1-CD1 3.5Å; E16-R82 WeakPolarHBondContact OE2-CD 3.24Å; E16-R82 IonicContact OE2-CZ 2.67Å; E16-R82 IonicContact OE2-NE 2.77Å; E16-R82 IonicContact OE2-NH1 3.22Å; E16-R82 PolarHBondContact OE2-NH1 3.24Å; E16-A143 HydrophobicContact CB-CB 4.23Å; E16-A143 HydrophobicContact CG-CB 4.43Å; E16-A147 HydrophobicContact CG-CB 4.17Å
17	A	98.8	Very high	98.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-46.5	172.9	0	0	0	0	0	112.2	V5 R13 S19 I20 L21 A147 M150	V5-A17 HydrophobicContact CB-CB 4.24Å; V5-A17 HydrophobicContact CG1-CB 3.81Å; V5-A17 HydrophobicContact CG2-CB 4.03Å; R13-A17 WeakPolarHBondContact O-CB 3.44Å; R13-A17 PolarHBondContact O-N 3.28Å; A17-S19 PolarHBondContact O-N 2.84Å; A17-I20 PolarHBondContact O-N 2.69Å; A17-L21 HydrophobicContact CB-CD1 4.42Å; A17-L21 WeakPolarHBondContact O-CB 3.25Å; A17-L21 VanDerWaalsContact O-CG 3.31Å; A17-L21 WeakPolarHBondContact O-CG 3.49Å; A17-L21 PolarHBondContact O-N 2.97Å; A17-A147 HydrophobicContact CB-CB 4.24Å; A17-M150 HydrophobicContact CB-SD 3.56Å; A17-M150 VanDerWaalsContact CB-SD 3.56Å
18	H	98.8	Very high	98.5	Very high	24 Å²	24	32.8 Å²	32.8	11%	0.111	19%	0.185	C	C	.	.	H	α-helix	trans	-55.3	-50.5	174.9	-167.6	146.7	0	0	0	111.4	S14 M15 E16 I20 S22 V28 S30 I86	S14-H18 WeakPolarHBondContact O-CB 3.29Å; S14-H18 PolarHBondContact O-N 3.43Å; M15-H18 PolarHBondContact O-N 3.4Å; E16-H18 PolarHBondContact O-N 2.85Å; H18-I20 VanDerWaalsContact C-N 3.35Å; H18-I20 PolarHBondContact O-N 2.97Å; H18-S22 WeakPolarHBondContact O-CB 3.39Å; H18-S22 PolarHBondContact O-N 2.84Å; H18-V28 PolarHBondContact NE2-O 2.98Å; H18-S30 PolarHBondContact ND1-N 3.37Å; H18-S30 PolarHBondContact ND1-OG 3.49Å; H18-I86 HydrophobicContact CB-CG2 4.43Å; H18-I86 WeakPolarHBondContact NE2-CG2 3.2Å
19	S	98.6	Very high	98.5	Very high	10 Å²	10	33.6 Å²	33.6	7%	0.07	19%	0.19	C	C	.	.	H	α-helix	trans	-52.1	-51.5	178.9	-176.2	0	0	0	0	112	M15 E16 A17 K23	M15-S19 WeakPolarHBondContact O-CB 3.32Å; M15-S19 PolarHBondContact O-N 3.38Å; E16-S19 VanDerWaalsContact O-CB 3.31Å; E16-S19 WeakPolarHBondContact O-CB 3.37Å; E16-S19 PolarHBondContact O-N 3.05Å; A17-S19 PolarHBondContact O-N 2.84Å; S19-K23 WeakPolarHBondContact O-CD 3.26Å; S19-K23 VanDerWaalsContact O-CG 3.24Å; S19-K23 WeakPolarHBondContact O-CG 3.4Å; S19-K23 PolarHBondContact O-N 3Å; S19-K23 PolarHBondContact OG-NZ 3.45Å
20	I	98.5	Very high	98.5	Very high	17 Å²	17	33.2 Å²	33.2	9%	0.087	19%	0.188	C	C	.	.	H	α-helix	trans	-75	-45.7	-174.2	-64	174.1	0	0	0	110.6	E16 A17 H18 S22 K23 K24 A147 F148 C151	E16-I20 HydrophobicContact CG-CD1 4.25Å; E16-I20 PolarHBondContact O-N 3.5Å; E16-I20 VanDerWaalsContact OE1-CD1 3.28Å; E16-I20 WeakPolarHBondContact OE1-CD1 3.5Å; A17-I20 PolarHBondContact O-N 2.69Å; H18-I20 VanDerWaalsContact C-N 3.35Å; H18-I20 PolarHBondContact O-N 2.97Å; I20-S22 VanDerWaalsContact C-N 3.35Å; I20-S22 PolarHBondContact O-N 3.31Å; I20-K23 PolarHBondContact O-N 3.11Å; I20-K24 HydrophobicContact CG2-CG 4.47Å; I20-K24 VanDerWaalsContact O-CG 3.3Å; I20-K24 WeakPolarHBondContact O-CG 3.37Å; I20-K24 PolarHBondContact O-N 2.89Å; I20-A147 HydrophobicContact CB-CB 4.28Å; I20-A147 HydrophobicContact CD1-CB 3.52Å; I20-A147 HydrophobicContact CG1-CB 4.32Å; I20-F148 HydrophobicContact CD1-CE2 4.41Å; I20-F148 HydrophobicContact CD1-CZ 4.38Å; I20-F148 HydrophobicContact CG2-CD1 4.4Å; I20-F148 HydrophobicContact CG2-CE1 4.26Å; I20-C151 VanDerWaalsContact CG2-SG 3.53Å
21	L	98.7	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-45.4	178	-76.5	166.3	0	0	0	111.4	V5 A17 K23 K24 G25 F26 V28 C151 C154	V5-L21 HydrophobicContact CG2-CD1 3.77Å; A17-L21 HydrophobicContact CB-CD1 4.42Å; A17-L21 WeakPolarHBondContact O-CB 3.25Å; A17-L21 VanDerWaalsContact O-CG 3.31Å; A17-L21 WeakPolarHBondContact O-CG 3.49Å; A17-L21 PolarHBondContact O-N 2.97Å; L21-K23 PolarHBondContact O-N 3.19Å; L21-K24 CarbonylContact O-C 3.52Å; L21-K24 WeakPolarHBondContact O-CA 3.16Å; L21-K24 PolarHBondContact O-N 3.16Å; L21-K24 VanDerWaalsContact O-N 3.07Å; L21-G25 PolarHBondContact O-N 3.19Å; L21-F26 HydrophobicContact CB-CB 4.16Å; L21-F26 HydrophobicContact CB-CD2 4.23Å; L21-F26 HydrophobicContact CD2-CB 4.29Å; L21-F26 HydrophobicContact CD2-CD2 3.45Å; L21-F26 VanDerWaalsContact CD2-CD2 3.45Å; L21-F26 HydrophobicContact CD2-CE2 3.87Å; L21-F26 HydrophobicContact CD2-CG 3.9Å; L21-F26 HydrophobicContact CG-CD2 4.46Å; L21-F26 WeakPolarHBondContact O-CD2 3.18Å; L21-F26 PolarHBondContact O-N 3.37Å; L21-V28 HydrophobicContact CB-CB 4.17Å; L21-V28 HydrophobicContact CB-CG1 3.82Å; L21-V28 HydrophobicContact CB-CG2 4.33Å; L21-V28 HydrophobicContact CD1-CG2 3.91Å; L21-C151 HydrophobicContact CD2-CB 4.36Å; L21-C154 HydrophobicContact CD2-CB 3.96Å
22	S	98.2	Very high	98.5	Very high	65 Å²	65	33.5 Å²	33.5	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-61.6	-44.4	177.2	179.2	0	0	0	0	112	H18 I20 K24 G25	H18-S22 WeakPolarHBondContact O-CB 3.39Å; H18-S22 PolarHBondContact O-N 2.84Å; I20-S22 VanDerWaalsContact C-N 3.35Å; I20-S22 PolarHBondContact O-N 3.31Å; S22-K24 PolarHBondContact O-N 3.04Å; S22-G25 PolarHBondContact O-N 3.23Å
23	K	98.1	Very high	98.5	Very high	166 Å²	166	33.1 Å²	33.1	72%	0.722	19%	0.187	S	C	*	.	H	α-helix	trans	-62.6	-23.5	174.7	-73.8	168.7	-175.6	164.9	0	113.5	S19 I20 L21 G25	S19-K23 WeakPolarHBondContact O-CD 3.26Å; S19-K23 VanDerWaalsContact O-CG 3.24Å; S19-K23 WeakPolarHBondContact O-CG 3.4Å; S19-K23 PolarHBondContact O-N 3Å; S19-K23 PolarHBondContact OG-NZ 3.45Å; I20-K23 PolarHBondContact O-N 3.11Å; L21-K23 PolarHBondContact O-N 3.19Å; K23-G25 VanDerWaalsContact C-N 3.34Å
24	K	97.7	Very high	98.5	Very high	138 Å²	138	33.1 Å²	33.1	60%	0.6	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.3	175.2	-66.8	-67.6	-175.8	-179.3	0	113.2	I20 L21 S22 F26	I20-K24 HydrophobicContact CG2-CG 4.47Å; I20-K24 VanDerWaalsContact O-CG 3.3Å; I20-K24 WeakPolarHBondContact O-CG 3.37Å; I20-K24 PolarHBondContact O-N 2.89Å; L21-K24 CarbonylContact O-C 3.52Å; L21-K24 WeakPolarHBondContact O-CA 3.16Å; L21-K24 PolarHBondContact O-N 3.16Å; L21-K24 VanDerWaalsContact O-N 3.07Å; S22-K24 PolarHBondContact O-N 3.04Å; K24-F26 HydrophobicContact CB-CD2 3.81Å; K24-F26 HydrophobicContact CB-CE2 3.83Å
25	G	97.9	Very high	98.4	Very high	64 Å²	64	39.1 Å²	39.1	66%	0.66	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	4.5	175.6	0	0	0	0	0	114.9	L21 S22 K23	L21-G25 PolarHBondContact O-N 3.19Å; S22-G25 PolarHBondContact O-N 3.23Å; K23-G25 VanDerWaalsContact C-N 3.34Å
26	F	98.5	Very high	98.3	Very high	20 Å²	20	44.8 Å²	44.8	9%	0.088	25%	0.251	C	S	.	.			trans	-72.9	141.9	175.8	-64.7	-79.2	0	0	0	111	F3 L21 K24 V28 C154 R155 E158	F3-F26 HydrophobicContact CD2-CB 4.39Å; F3-F26 HydrophobicContact CD2-CD1 4.28Å; F3-F26 AromaticContact CE2-CD1 3.75Å; F3-F26 HydrophobicContact CE2-CD1 3.75Å; F3-F26 HydrophobicContact CE2-CE1 4.42Å; F3-F26 HydrophobicContact CZ-CD1 4.46Å; L21-F26 HydrophobicContact CB-CB 4.16Å; L21-F26 HydrophobicContact CB-CD2 4.23Å; L21-F26 HydrophobicContact CD2-CB 4.29Å; L21-F26 HydrophobicContact CD2-CD2 3.45Å; L21-F26 VanDerWaalsContact CD2-CD2 3.45Å; L21-F26 HydrophobicContact CD2-CE2 3.87Å; L21-F26 HydrophobicContact CD2-CG 3.9Å; L21-F26 HydrophobicContact CG-CD2 4.46Å; L21-F26 WeakPolarHBondContact O-CD2 3.18Å; L21-F26 PolarHBondContact O-N 3.37Å; K24-F26 HydrophobicContact CB-CD2 3.81Å; K24-F26 HydrophobicContact CB-CE2 3.83Å; F26-V28 PolarHBondContact O-N 2.9Å; F26-C154 HydrophobicContact CD1-CB 3.93Å; F26-C154 HydrophobicContact CE1-CB 3.55Å; F26-C154 HydrophobicContact CE2-CB 4.35Å; F26-C154 HydrophobicContact CG-CB 4.47Å; F26-C154 HydrophobicContact CZ-CB 3.78Å; F26-R155 HydrophobicContact CZ-CB 4.08Å; F26-E158 HydrophobicContact CD1-CG 4.5Å; F26-E158 HydrophobicContact CE1-CG 4.21Å; F26-E158 VanDerWaalsContact CE1-OE2 3.24Å; F26-E158 WeakPolarHBondContact CE1-OE2 3.38Å
27	T	98.4	Very high	98.3	Very high	88 Å²	88	43.4 Å²	43.4	54%	0.54	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	102.3	168.8	-57.2	0	0	0	0	108.5	R2 F3	R2-T27 HydrophobicContact CG-CG2 3.88Å; F3-T27 PolarHBondContact N-O 2.96Å
28	V	98.7	Very high	98.2	Very high	15 Å²	15	49.2 Å²	49.2	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142	-172.2	62.2	0	0	0	0	111.8	F3 V5 H18 L21 F26	F3-V28 HydrophobicContact CB-CB 4.39Å; F3-V28 HydrophobicContact CB-CG2 4.28Å; F3-V28 CarbonylContact O-C 3.53Å; F3-V28 VanDerWaalsContact O-CA 3.31Å; F3-V28 WeakPolarHBondContact O-CA 3.38Å; V5-V28 HydrophobicContact CG2-CG2 4.02Å; H18-V28 PolarHBondContact NE2-O 2.98Å; L21-V28 HydrophobicContact CB-CB 4.17Å; L21-V28 HydrophobicContact CB-CG1 3.82Å; L21-V28 HydrophobicContact CB-CG2 4.33Å; L21-V28 HydrophobicContact CD1-CG2 3.91Å; F26-V28 PolarHBondContact O-N 2.9Å
29	S	98.7	Very high	98.1	Very high	38 Å²	38	48.4 Å²	48.4	27%	0.266	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	165.1	163	-67.2	0	0	0	0	109.8	F3 A4 V5	F3-S29 PolarHBondContact O-N 2.98Å; A4-S29 CarbonylContact C-O 3.51Å; A4-S29 VanDerWaalsContact CA-O 3.31Å; A4-S29 WeakPolarHBondContact CA-O 3.49Å; V5-S29 PolarHBondContact N-O 3.46Å
30	S	98.8	Very high	98	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.007	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.1	177.1	63.3	0	0	0	0	112.5	V5 N10 S14 M15 H18 K87	V5-S30 CarbonylContact O-C 3.54Å; V5-S30 WeakPolarHBondContact O-CA 3.08Å; V5-S30 WeakPolarHBondContact O-CB 3.3Å; N10-S30 PolarHBondContact ND2-OG 2.92Å; N10-S30 PolarHBondContact OD1-O 2.9Å; S14-S30 VanDerWaalsContact O-CB 3.26Å; S14-S30 WeakPolarHBondContact O-CB 3.38Å; M15-S30 PolarHBondContact SD-OG 3.1Å; H18-S30 PolarHBondContact ND1-N 3.37Å; H18-S30 PolarHBondContact ND1-OG 3.49Å; S30-K87 PolarHBondContact O-NZ 3.34Å
31	F	98.9	Very high	97.9	Very high	9 Å²	9	51.5 Å²	51.5	4%	0.039	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	173.4	-172.7	-55.1	-81.2	0	0	0	112.5	A4 V5 V6 C7 N10 S14 E91 F93 C96 F100	A4-F31 HydrophobicContact CB-CD2 4.09Å; A4-F31 HydrophobicContact CB-CE2 3.94Å; V5-F31 PolarHBondContact O-N 3.1Å; V6-F31 HydrophobicContact CG1-CB 4.29Å; V6-F31 HydrophobicContact CG2-CB 4.38Å; C7-F31 PolarHBondContact N-O 3.31Å; C7-F31 VanDerWaalsContact N-O 3.1Å; N10-F31 PolarHBondContact ND2-N 2.88Å; S14-F31 PolarHBondContact OG-O 3.29Å; S14-F31 VanDerWaalsContact OG-O 3.08Å; F31-E91 CarbonylContact C-O 3.58Å; F31-E91 WeakPolarHBondContact CA-O 3.41Å; F31-E91 HydrophobicContact CD1-CB 3.82Å; F31-E91 HydrophobicContact CE1-CB 4.21Å; F31-F93 HydrophobicContact CB-CB 3.77Å; F31-F93 HydrophobicContact CB-CD2 4.27Å; F31-F93 HydrophobicContact CB-CG 4.49Å; F31-F93 AromaticContact CD2-CD2 3.78Å; F31-F93 HydrophobicContact CD2-CD2 3.78Å; F31-F93 HydrophobicContact CD2-CE2 4.47Å; F31-F93 HydrophobicContact CE2-CD2 4.35Å; F31-F93 HydrophobicContact CG-CB 4.28Å; F31-F93 HydrophobicContact CG-CD2 4.04Å; F31-C96 HydrophobicContact CD1-CB 4.38Å; F31-C96 HydrophobicContact CE1-CB 3.86Å; F31-C96 HydrophobicContact CZ-CB 4.08Å; F31-C96 VanDerWaalsContact CZ-SG 3.57Å; F31-F100 HydrophobicContact CE2-CE1 4.45Å; F31-F100 AromaticContact CE2-CE2 3.98Å; F31-F100 HydrophobicContact CE2-CE2 3.98Å; F31-F100 AromaticContact CE2-CZ 3.64Å; F31-F100 HydrophobicContact CE2-CZ 3.64Å; F31-F100 HydrophobicContact CZ-CE2 4.34Å; F31-F100 AromaticContact CZ-CZ 3.87Å; F31-F100 HydrophobicContact CZ-CZ 3.87Å
32	G	98.6	Very high	97.6	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152	171	0	0	0	0	0	110.4	C7 S8 E91 R92 F93	C7-G32 CarbonylContact O-C 3.44Å; C7-G32 WeakPolarHBondContact O-CA 3.24Å; S8-G32 WeakPolarHBondContact O-CA 3.4Å; G32-E91 PolarHBondContact N-O 3.48Å; G32-R92 CarbonylContact O-C 3.53Å; G32-R92 VanDerWaalsContact O-CA 3.24Å; G32-R92 WeakPolarHBondContact O-CA 3.35Å; G32-F93 PolarHBondContact O-N 3.25Å
33	T	98.5	Very high	97.3	Very high	3 Å²	3	55 Å²	55	2%	0.018	31%	0.314	C	S	.	.			trans	-107.4	-11.7	170.5	54.1	0	0	0	0	113.5	V6 C7 S8 F93 Q94 V110 Q113	V6-T33 HydrophobicContact CG1-CG2 3.63Å; C7-T33 PolarHBondContact O-N 3.23Å; S8-T33 PolarHBondContact O-N 2.93Å; T33-F93 HydrophobicContact CG2-CB 4.33Å; T33-Q94 PolarHBondContact O-NE2 3.06Å; T33-V110 HydrophobicContact CG2-CG1 3.88Å; T33-Q113 HydrophobicContact CG2-CB 3.96Å; T33-Q113 PolarHBondContact OG1-OE1 2.84Å
34	G	97.2	Very high	97	Very high	7 Å²	7	52.2 Å²	52.2	7%	0.072	32%	0.322	C	S	.	.	S	Bend	trans	-61.5	163.9	-178.1	0	0	0	0	0	113.5	S8 F52 R92	S8-G34 PolarHBondContact O-N 3.13Å; G34-F52 WeakPolarHBondContact O-CE2 3.33Å; G34-R92 PolarHBondContact O-NE 3.46Å
35	T	96.6	Very high	96.8	Very high	126 Å²	126	51.8 Å²	51.8	77%	0.773	33%	0.326	S	S	*	.	S	Bend	trans	-80	-28.6	172.9	54.8	0	0	0	0	112.2
36	K	97.4	Very high	96.7	Very high	120 Å²	120	54.4 Å²	54.4	52%	0.522	32%	0.323	S	S	.	.	S	Bend	trans	-140.9	155.1	177.9	-67.2	-172.8	180	-177.4	0	109.9	K38 M49 Y50	K36-K38 PolarHBondContact O-N 2.74Å; K36-M49 HydrophobicContact CB-CE 3.39Å; K36-M49 HydrophobicContact CD-CE 3.85Å; K36-M49 HydrophobicContact CG-CE 4.24Å; K36-Y50 WeakPolarHBondContact CB-O 3.39Å
37	V	97.8	Very high	96.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	114.7	169.6	173.6	0	0	0	0	107.6	M11 L39 M49 Y50 F52 I59 P90	M11-V37 HydrophobicContact CE-CG1 3.28Å; M11-V37 HydrophobicContact CG-CG1 3.74Å; M11-V37 HydrophobicContact SD-CG1 4.37Å; V37-L39 HydrophobicContact CG1-CG 4.49Å; V37-M49 WeakPolarHBondContact O-CA 3.38Å; V37-Y50 HydrophobicContact CG1-CD2 4.44Å; V37-Y50 PolarHBondContact N-O 3.1Å; V37-Y50 PolarHBondContact O-N 3.07Å; V37-F52 HydrophobicContact CG2-CD1 4.17Å; V37-F52 HydrophobicContact CG2-CD2 3.96Å; V37-F52 HydrophobicContact CG2-CE1 4.24Å; V37-F52 HydrophobicContact CG2-CE2 4.02Å; V37-F52 HydrophobicContact CG2-CG 4.05Å; V37-F52 HydrophobicContact CG2-CZ 4.16Å; V37-I59 HydrophobicContact CG1-CD1 4.49Å; V37-P90 HydrophobicContact CG2-CB 4.02Å; V37-P90 HydrophobicContact CG2-CG 3.64Å
38	K	97.2	Very high	96.6	Very high	123 Å²	123	52 Å²	52	54%	0.535	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.4	176.2	-178.4	171.5	-179.1	-175.4	0	110	S9 K36 P47 M49	S9-K38 PolarHBondContact OG-N 3.44Å; S9-K38 VanDerWaalsContact OG-N 3.15Å; S9-K38 PolarHBondContact OG-O 2.89Å; K36-K38 PolarHBondContact O-N 2.74Å; K38-P47 HydrophobicContact CD-CB 4.41Å; K38-P47 HydrophobicContact CG-CB 4.03Å; K38-M49 HydrophobicContact CB-CE 3.95Å; K38-M49 HydrophobicContact CB-SD 3.61Å; K38-M49 HydrophobicContact CD-SD 4.04Å; K38-M49 HydrophobicContact CG-CE 4.45Å; K38-M49 HydrophobicContact CG-SD 3.54Å; K38-M49 VanDerWaalsContact CG-SD 3.54Å
39	L	97.2	Very high	96.5	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.7	173.8	-69.8	179.1	0	0	0	110.4	M11 V37 P47 N48 Y50 I59 L63 L76 M79	M11-L39 HydrophobicContact CB-CD2 3.94Å; M11-L39 HydrophobicContact CE-CD1 3.98Å; M11-L39 HydrophobicContact CE-CG 4.42Å; M11-L39 HydrophobicContact CG-CD2 3.71Å; M11-L39 HydrophobicContact CG-CG 4.4Å; M11-L39 HydrophobicContact SD-CD1 4.36Å; M11-L39 HydrophobicContact SD-CD2 4.08Å; V37-L39 HydrophobicContact CG1-CG 4.49Å; L39-P47 WeakPolarHBondContact O-CA 3.5Å; L39-P47 WeakPolarHBondContact O-CB 3.26Å; L39-N48 HydrophobicContact CB-CB 4.23Å; L39-N48 PolarHBondContact N-O 2.67Å; L39-N48 PolarHBondContact O-N 3.24Å; L39-Y50 HydrophobicContact CD1-CE2 4.2Å; L39-I59 HydrophobicContact CD1-CG2 3.83Å; L39-L63 HydrophobicContact CD1-CD1 4.04Å; L39-L76 HydrophobicContact CB-CD1 4.32Å; L39-L76 HydrophobicContact CD2-CD2 3.98Å; L39-M79 HydrophobicContact CD2-CE 3.72Å
40	P	96.1	Very high	96.5	Very high	79 Å²	79	54.8 Å²	54.8	51%	0.513	32%	0.318	S	S	.	.			trans	-50.2	140.6	167.5	-25.7	32.9	0	0	0	111.7	N48 L76	P40-N48 PolarHBondContact O-ND2 2.96Å; P40-L76 HydrophobicContact CB-CD1 4.22Å; P40-L76 HydrophobicContact CG-CD1 4.47Å; P40-L76 WeakPolarHBondContact O-CD1 3.28Å
41	G	95.9	Very high	96.5	Very high	14 Å²	14	57.2 Å²	57.2	14%	0.144	34%	0.335	C	S	.	.			trans	-120.7	-163	168.8	0	0	0	0	0	111.3	A43 M46 N48	G41-A43 PolarHBondContact O-N 3.06Å; G41-A43 VanDerWaalsContact O-N 3.14Å; G41-M46 VanDerWaalsContact CA-O 3.27Å; G41-M46 WeakPolarHBondContact CA-O 3.31Å; G41-N48 WeakPolarHBondContact CA-ND2 3.45Å
42	P	93.2	Very high	96.5	Very high	93 Å²	93	57.5 Å²	57.5	60%	0.604	34%	0.336	S	S	*	.	S	Bend	trans	-62.1	-24.5	-173.8	-22.9	34.1	0	0	0	114.1	L70	P42-L70 HydrophobicContact CB-CD2 4.12Å; P42-L70 HydrophobicContact CG-CD2 4.08Å
43	A	92.6	Very high	96.4	Very high	44 Å²	44	61.8 Å²	61.8	36%	0.364	37%	0.366	S	S	.	.	S	Bend	trans	-142.2	158.7	175.1	0	0	0	0	0	110.2	G41 N45 M46	G41-A43 PolarHBondContact O-N 3.06Å; G41-A43 VanDerWaalsContact O-N 3.14Å; A43-N45 VanDerWaalsContact CB-OD1 3.25Å; A43-N45 WeakPolarHBondContact CB-OD1 3.34Å; A43-N45 PolarHBondContact O-N 2.96Å; A43-N45 VanDerWaalsContact O-N 3.17Å; A43-M46 HydrophobicContact CB-CB 4.38Å; A43-M46 HydrophobicContact CB-CG 4.46Å; A43-M46 CarbonylContact O-C 3.53Å; A43-M46 PolarHBondContact O-N 3.02Å
44	A	90.4	Very high	96.4	Very high	108 Å²	108	63.4 Å²	63.4	89%	0.893	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.6	-177.5	0	0	0	0	0	113.7
45	N	94.6	Very high	96.5	Very high	130 Å²	130	65.7 Å²	65.7	70%	0.695	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-3	176.5	66.3	-28.8	0	0	0	113.9	A43 P47	A43-N45 VanDerWaalsContact CB-OD1 3.25Å; A43-N45 WeakPolarHBondContact CB-OD1 3.34Å; A43-N45 PolarHBondContact O-N 2.96Å; A43-N45 VanDerWaalsContact O-N 3.17Å; N45-P47 WeakPolarHBondContact O-CD 3.21Å
46	M	94.9	Very high	96.6	Very high	119 Å²	119	59.7 Å²	59.7	59%	0.586	35%	0.352	S	S	*	.	S	Bend	trans	-121.9	58.6	-176.4	-67.5	-67.9	-71.4	0	0	111.4	G41 A43	G41-M46 VanDerWaalsContact CA-O 3.27Å; G41-M46 WeakPolarHBondContact CA-O 3.31Å; A43-M46 HydrophobicContact CB-CB 4.38Å; A43-M46 HydrophobicContact CB-CG 4.46Å; A43-M46 CarbonylContact O-C 3.53Å; A43-M46 PolarHBondContact O-N 3.02Å
47	P	96.8	Very high	96.7	Very high	44 Å²	44	56 Å²	56	29%	0.286	34%	0.344	S	S	.	.			trans	-68.9	150.7	-179.9	31.3	-36.4	0	0	0	112	K38 L39 N45 M49	K38-P47 HydrophobicContact CD-CB 4.41Å; K38-P47 HydrophobicContact CG-CB 4.03Å; L39-P47 WeakPolarHBondContact O-CA 3.5Å; L39-P47 WeakPolarHBondContact O-CB 3.26Å; N45-P47 WeakPolarHBondContact O-CD 3.21Å; P47-M49 HydrophobicContact CB-SD 4.26Å; P47-M49 HydrophobicContact CG-CG 4.35Å; P47-M49 HydrophobicContact CG-SD 4.2Å
48	N	98.1	Very high	96.7	Very high	14 Å²	14	58 Å²	58	8%	0.075	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	126.6	166.8	-67.1	-75.3	0	0	0	109.3	L39 P40 G41 Y50 L63 K66 Y71	L39-N48 HydrophobicContact CB-CB 4.23Å; L39-N48 PolarHBondContact N-O 2.67Å; L39-N48 PolarHBondContact O-N 3.24Å; P40-N48 PolarHBondContact O-ND2 2.96Å; G41-N48 WeakPolarHBondContact CA-ND2 3.45Å; N48-Y50 HydrophobicContact CB-CE2 3.69Å; N48-L63 HydrophobicContact CB-CD2 4.09Å; N48-L63 VanDerWaalsContact CG-CD2 3.47Å; N48-L63 WeakPolarHBondContact ND2-CD2 3.46Å; N48-K66 PolarHBondContact OD1-NZ 3.19Å; N48-Y71 WeakPolarHBondContact ND2-CE1 3.45Å; N48-Y71 PolarHBondContact ND2-OH 3.42Å
49	M	97.9	Very high	96.8	Very high	83 Å²	83	52.2 Å²	52.2	41%	0.409	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.6	-175.3	-62.8	-61.2	-53.7	0	0	110.2	K36 V37 K38 P47	K36-M49 HydrophobicContact CB-CE 3.39Å; K36-M49 HydrophobicContact CD-CE 3.85Å; K36-M49 HydrophobicContact CG-CE 4.24Å; V37-M49 WeakPolarHBondContact O-CA 3.38Å; K38-M49 HydrophobicContact CB-CE 3.95Å; K38-M49 HydrophobicContact CB-SD 3.61Å; K38-M49 HydrophobicContact CD-SD 4.04Å; K38-M49 HydrophobicContact CG-CE 4.45Å; K38-M49 HydrophobicContact CG-SD 3.54Å; K38-M49 VanDerWaalsContact CG-SD 3.54Å; P47-M49 HydrophobicContact CB-SD 4.26Å; P47-M49 HydrophobicContact CG-CG 4.35Å; P47-M49 HydrophobicContact CG-SD 4.2Å
50	Y	98.5	Very high	96.9	Very high	27 Å²	27	54 Å²	54	11%	0.106	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	157.7	177	-52	-87.4	0	0	0	110.8	K36 V37 L39 N48 T54 I59 D62 L63	K36-Y50 WeakPolarHBondContact CB-O 3.39Å; V37-Y50 HydrophobicContact CG1-CD2 4.44Å; V37-Y50 PolarHBondContact N-O 3.1Å; V37-Y50 PolarHBondContact O-N 3.07Å; L39-Y50 HydrophobicContact CD1-CE2 4.2Å; N48-Y50 HydrophobicContact CB-CE2 3.69Å; Y50-T54 HydrophobicContact CD1-CG2 4.31Å; Y50-I59 HydrophobicContact CD1-CG1 3.97Å; Y50-I59 HydrophobicContact CD2-CD1 4.16Å; Y50-I59 HydrophobicContact CD2-CG1 4.08Å; Y50-I59 HydrophobicContact CD2-CG2 4.07Å; Y50-I59 HydrophobicContact CE1-CG1 4.27Å; Y50-I59 HydrophobicContact CE1-CG2 4.46Å; Y50-I59 HydrophobicContact CE2-CG1 4.38Å; Y50-I59 HydrophobicContact CE2-CG2 3.67Å; Y50-I59 HydrophobicContact CG-CD1 4.07Å; Y50-I59 HydrophobicContact CG-CG1 3.86Å; Y50-D62 HydrophobicContact CE1-CB 4.44Å; Y50-D62 WeakPolarHBondContact CE1-OD2 3.14Å; Y50-D62 PolarHBondContact OH-OD2 3.31Å; Y50-L63 WeakPolarHBondContact OH-CD2 3.26Å
51	S	98.1	Very high	97	Very high	53 Å²	53	55.3 Å²	55.3	37%	0.371	35%	0.345	S	S	.	.			trans	-75.1	157.5	164.9	56.1	0	0	0	0	110.2	S53 T54	S51-S53 PolarHBondContact O-N 3.38Å; S51-S53 PolarHBondContact OG-OG 3.11Å; S51-T54 PolarHBondContact O-N 2.92Å; S51-T54 VanDerWaalsContact O-N 3.14Å; S51-T54 PolarHBondContact O-OG1 2.84Å; S51-T54 PolarHBondContact OG-OG1 3.33Å
52	F	98.3	Very high	97.1	Very high	14 Å²	14	57.6 Å²	57.6	6%	0.061	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.5	171.6	-83.6	-98.2	0	0	0	113.1	N10 G34 V37 T54 P90 R92	N10-F52 HydrophobicContact CB-CE1 4.17Å; G34-F52 WeakPolarHBondContact O-CE2 3.33Å; V37-F52 HydrophobicContact CG2-CD1 4.17Å; V37-F52 HydrophobicContact CG2-CD2 3.96Å; V37-F52 HydrophobicContact CG2-CE1 4.24Å; V37-F52 HydrophobicContact CG2-CE2 4.02Å; V37-F52 HydrophobicContact CG2-CG 4.05Å; V37-F52 HydrophobicContact CG2-CZ 4.16Å; F52-T54 VanDerWaalsContact C-N 3.29Å; F52-T54 PolarHBondContact O-N 2.94Å; F52-P90 HydrophobicContact CD1-CB 3.77Å; F52-P90 HydrophobicContact CD1-CG 4.28Å; F52-P90 HydrophobicContact CE1-CB 4.05Å; F52-R92 HydrophobicContact CB-CG 3.92Å; F52-R92 HydrophobicContact CD1-CG 3.41Å; F52-R92 VanDerWaalsContact CD1-CG 3.41Å; F52-R92 HydrophobicContact CD2-CG 3.64Å; F52-R92 HydrophobicContact CE1-CG 3.72Å; F52-R92 HydrophobicContact CE2-CG 3.93Å; F52-R92 HydrophobicContact CG-CG 3.37Å; F52-R92 HydrophobicContact CZ-CG 3.96Å
53	S	97.8	Very high	97.4	Very high	90 Å²	90	53.1 Å²	53.1	63%	0.629	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.5	173.2	63.3	0	0	0	0	113.8	S51	S51-S53 PolarHBondContact O-N 3.38Å; S51-S53 PolarHBondContact OG-OG 3.11Å
54	T	98.6	Very high	97.7	Very high	37 Å²	37	52.1 Å²	52.1	23%	0.227	32%	0.317	C	S	.	.	S	Bend	trans	-79.3	126.3	-179.7	-52.5	0	0	0	0	110.5	Y50 S51 F52 A58 I59 P90	Y50-T54 HydrophobicContact CD1-CG2 4.31Å; S51-T54 PolarHBondContact O-N 2.92Å; S51-T54 VanDerWaalsContact O-N 3.14Å; S51-T54 PolarHBondContact O-OG1 2.84Å; S51-T54 PolarHBondContact OG-OG1 3.33Å; F52-T54 VanDerWaalsContact C-N 3.29Å; F52-T54 PolarHBondContact O-N 2.94Å; T54-A58 HydrophobicContact CG2-CB 3.81Å; T54-I59 HydrophobicContact CG2-CD1 4.3Å; T54-I59 HydrophobicContact CG2-CG1 3.66Å; T54-P90 WeakPolarHBondContact O-CD 3.44Å
55	T	98.7	Very high	98	Very high	55 Å²	55	50.3 Å²	50.3	34%	0.337	31%	0.308	S	S	.	.			trans	-67.8	153.4	-180	64.7	0	0	0	0	112.5	A57 A58 I59 S88 R89	T55-A57 PolarHBondContact O-N 2.81Å; T55-A58 PolarHBondContact O-N 3.21Å; T55-A58 VanDerWaalsContact O-N 3.1Å; T55-A58 WeakPolarHBondContact OG1-CB 3.29Å; T55-A58 PolarHBondContact OG1-N 2.89Å; T55-A58 VanDerWaalsContact OG1-N 3.11Å; T55-I59 WeakPolarHBondContact O-CG1 3.12Å; T55-I59 PolarHBondContact O-N 2.67Å; T55-S88 WeakPolarHBondContact CA-O 3.26Å; T55-S88 VanDerWaalsContact CB-O 3.29Å; T55-S88 WeakPolarHBondContact CB-O 3.3Å; T55-R89 HydrophobicContact CG2-CB 4.45Å
56	Y	98.8	Very high	98.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-31.8	175	-65.1	-62.1	0	0	0	111.9	N10 M11 M15 I59 Y60 L80 N83 K87 S88 R89 P90	N10-Y56 PolarHBondContact O-OH 2.98Å; N10-Y56 PolarHBondContact OD1-OH 2.84Å; M11-Y56 HydrophobicContact CE-CD1 3.83Å; M11-Y56 HydrophobicContact CE-CE1 3.81Å; M11-Y56 HydrophobicContact SD-CD1 3.93Å; M11-Y56 HydrophobicContact SD-CE1 3.61Å; M15-Y56 HydrophobicContact CE-CE2 3.91Å; M15-Y56 PolarHBondContact SD-OH 2.84Å; M15-Y56 VanDerWaalsContact SD-OH 3.38Å; Y56-I59 PolarHBondContact O-N 3.01Å; Y56-Y60 VanDerWaalsContact O-CB 3.3Å; Y56-Y60 WeakPolarHBondContact O-CB 3.38Å; Y56-Y60 PolarHBondContact O-N 3.05Å; Y56-L80 HydrophobicContact CD1-CD2 3.9Å; Y56-N83 HydrophobicContact CD1-CB 3.75Å; Y56-N83 HydrophobicContact CD2-CB 3.77Å; Y56-N83 HydrophobicContact CE1-CB 3.88Å; Y56-N83 HydrophobicContact CE2-CB 3.89Å; Y56-N83 HydrophobicContact CG-CB 3.69Å; Y56-K87 VanDerWaalsContact CD2-O 3.28Å; Y56-K87 WeakPolarHBondContact CD2-O 3.26Å; Y56-K87 HydrophobicContact CE2-CG 3.9Å; Y56-S88 PolarHBondContact N-O 2.82Å; Y56-R89 WeakPolarHBondContact CE2-O 3.47Å; Y56-P90 HydrophobicContact CE1-CB 4.05Å; Y56-P90 HydrophobicContact CE1-CG 4.17Å; Y56-P90 VanDerWaalsContact CZ-N 3.34Å; Y56-P90 WeakPolarHBondContact OH-CA 3.3Å
57	A	98.7	Very high	98.3	Very high	43 Å²	43	47 Å²	47	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-43.3	173.2	0	0	0	0	0	112.8	T55 Y60 N61 K84	T55-A57 PolarHBondContact O-N 2.81Å; A57-Y60 PolarHBondContact O-N 3.14Å; A57-N61 VanDerWaalsContact O-CG 3.26Å; A57-N61 PolarHBondContact O-N 2.78Å; A57-N61 PolarHBondContact O-ND2 3.13Å; A57-K84 HydrophobicContact CB-CD 4.04Å; A57-K84 HydrophobicContact CB-CG 4.48Å
58	A	98.8	Very high	98.4	Very high	43 Å²	43	50 Å²	50	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-66.8	-40.6	176.2	0	0	0	0	0	111.8	T54 T55 N61 D62	T54-A58 HydrophobicContact CG2-CB 3.81Å; T55-A58 PolarHBondContact O-N 3.21Å; T55-A58 VanDerWaalsContact O-N 3.1Å; T55-A58 WeakPolarHBondContact OG1-CB 3.29Å; T55-A58 PolarHBondContact OG1-N 2.89Å; T55-A58 VanDerWaalsContact OG1-N 3.11Å; A58-N61 PolarHBondContact O-N 3.31Å; A58-D62 WeakPolarHBondContact O-CB 3.28Å; A58-D62 PolarHBondContact O-N 3.34Å
59	I	98.8	Very high	98.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.1	-44.1	175.7	-62.3	170	0	0	0	110.5	M11 V37 L39 Y50 T54 T55 Y56 D62 L63 L80	M11-I59 HydrophobicContact CE-CD1 3.36Å; M11-I59 HydrophobicContact CE-CG2 4.28Å; V37-I59 HydrophobicContact CG1-CD1 4.49Å; L39-I59 HydrophobicContact CD1-CG2 3.83Å; Y50-I59 HydrophobicContact CD1-CG1 3.97Å; Y50-I59 HydrophobicContact CD2-CD1 4.16Å; Y50-I59 HydrophobicContact CD2-CG1 4.08Å; Y50-I59 HydrophobicContact CD2-CG2 4.07Å; Y50-I59 HydrophobicContact CE1-CG1 4.27Å; Y50-I59 HydrophobicContact CE1-CG2 4.46Å; Y50-I59 HydrophobicContact CE2-CG1 4.38Å; Y50-I59 HydrophobicContact CE2-CG2 3.67Å; Y50-I59 HydrophobicContact CG-CD1 4.07Å; Y50-I59 HydrophobicContact CG-CG1 3.86Å; T54-I59 HydrophobicContact CG2-CD1 4.3Å; T54-I59 HydrophobicContact CG2-CG1 3.66Å; T55-I59 WeakPolarHBondContact O-CG1 3.12Å; T55-I59 PolarHBondContact O-N 2.67Å; Y56-I59 PolarHBondContact O-N 3.01Å; I59-D62 PolarHBondContact O-N 3.34Å; I59-L63 HydrophobicContact CG2-CD1 4.17Å; I59-L63 HydrophobicContact CG2-CG 4.41Å; I59-L63 WeakPolarHBondContact O-CG 3.45Å; I59-L63 PolarHBondContact O-N 3.14Å; I59-L80 HydrophobicContact CB-CD2 4.21Å; I59-L80 HydrophobicContact CG2-CD1 3.83Å; I59-L80 HydrophobicContact CG2-CD2 3.93Å
60	Y	98.8	Very high	98.4	Very high	43 Å²	43	53 Å²	53	17%	0.169	31%	0.314	C	S	.	.	H	α-helix	trans	-56.6	-51.6	175.3	179.3	-80.9	0	0	0	111.4	Y56 A57 D62 L63 A64 L77 L80 E81	Y56-Y60 VanDerWaalsContact O-CB 3.3Å; Y56-Y60 WeakPolarHBondContact O-CB 3.38Å; Y56-Y60 PolarHBondContact O-N 3.05Å; A57-Y60 PolarHBondContact O-N 3.14Å; Y60-D62 VanDerWaalsContact C-N 3.35Å; Y60-D62 PolarHBondContact O-N 2.93Å; Y60-L63 PolarHBondContact O-N 3.49Å; Y60-A64 HydrophobicContact CE1-CB 4.26Å; Y60-A64 WeakPolarHBondContact O-CB 3.49Å; Y60-A64 PolarHBondContact O-N 2.84Å; Y60-L77 HydrophobicContact CD2-CB 4.36Å; Y60-L77 HydrophobicContact CD2-CD2 3.92Å; Y60-L77 HydrophobicContact CE2-CB 3.86Å; Y60-L77 HydrophobicContact CE2-CD2 4Å; Y60-L77 HydrophobicContact CE2-CG 4.36Å; Y60-L77 HydrophobicContact CG-CD2 4.38Å; Y60-L80 HydrophobicContact CD2-CB 3.96Å; Y60-E81 HydrophobicContact CD2-CG 4.45Å; Y60-E81 HydrophobicContact CE2-CG 3.85Å; Y60-E81 WeakPolarHBondContact CE2-OE1 3.47Å; Y60-E81 PolarHBondContact OH-OE1 2.97Å
61	N	98.7	Very high	98.4	Very high	108 Å²	108	51.9 Å²	51.9	58%	0.578	31%	0.31	S	S	*	.	H	α-helix	trans	-63.7	-39.8	-177.8	-70.2	-18.5	0	0	0	112.2	A57 A58 G65	A57-N61 VanDerWaalsContact O-CG 3.26Å; A57-N61 PolarHBondContact O-N 2.78Å; A57-N61 PolarHBondContact O-ND2 3.13Å; A58-N61 PolarHBondContact O-N 3.31Å; N61-G65 PolarHBondContact O-N 2.85Å
62	D	98.7	Very high	98.4	Very high	61 Å²	61	51.6 Å²	51.6	33%	0.326	31%	0.306	S	S	.	.	H	α-helix	trans	-63.3	-48.4	176	174.5	69.6	0	0	0	111.9	Y50 A58 I59 Y60 G65 K66	Y50-D62 HydrophobicContact CE1-CB 4.44Å; Y50-D62 WeakPolarHBondContact CE1-OD2 3.14Å; Y50-D62 PolarHBondContact OH-OD2 3.31Å; A58-D62 WeakPolarHBondContact O-CB 3.28Å; A58-D62 PolarHBondContact O-N 3.34Å; I59-D62 PolarHBondContact O-N 3.34Å; Y60-D62 VanDerWaalsContact C-N 3.35Å; Y60-D62 PolarHBondContact O-N 2.93Å; D62-G65 PolarHBondContact O-N 3.01Å; D62-K66 WeakPolarHBondContact O-CG 3.45Å; D62-K66 PolarHBondContact O-N 2.77Å; D62-K66 WeakPolarHBondContact OD1-CE 3.38Å; D62-K66 IonicContact OD1-NZ 3.55Å; D62-K66 VanDerWaalsContact OD2-CE 3.26Å; D62-K66 WeakPolarHBondContact OD2-CE 3.31Å; D62-K66 IonicContact OD2-NZ 3.59Å; D62-K66 PolarHBondContact OD2-NZ 2.87Å
63	L	98.5	Very high	98.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-45.1	178.2	-67.1	-175.7	0	0	0	111.9	L39 N48 Y50 I59 Y60 G65 K66 D67 Y71 L76 L77 L80	L39-L63 HydrophobicContact CD1-CD1 4.04Å; N48-L63 HydrophobicContact CB-CD2 4.09Å; N48-L63 VanDerWaalsContact CG-CD2 3.47Å; N48-L63 WeakPolarHBondContact ND2-CD2 3.46Å; Y50-L63 WeakPolarHBondContact OH-CD2 3.26Å; I59-L63 HydrophobicContact CG2-CD1 4.17Å; I59-L63 HydrophobicContact CG2-CG 4.41Å; I59-L63 WeakPolarHBondContact O-CG 3.45Å; I59-L63 PolarHBondContact O-N 3.14Å; Y60-L63 PolarHBondContact O-N 3.49Å; L63-G65 VanDerWaalsContact C-N 3.26Å; L63-G65 PolarHBondContact O-N 2.7Å; L63-K66 HydrophobicContact CD2-CD 4.4Å; L63-K66 PolarHBondContact O-N 2.86Å; L63-K66 VanDerWaalsContact O-N 3.12Å; L63-D67 PolarHBondContact O-N 3.48Å; L63-Y71 HydrophobicContact CB-CD1 4.5Å; L63-Y71 HydrophobicContact CB-CD2 3.78Å; L63-Y71 HydrophobicContact CB-CE2 4.24Å; L63-Y71 HydrophobicContact CB-CG 3.95Å; L63-Y71 HydrophobicContact CD1-CD1 4.27Å; L63-Y71 HydrophobicContact CD1-CG 4.45Å; L63-Y71 HydrophobicContact CD2-CD1 4.2Å; L63-Y71 HydrophobicContact CD2-CD2 4.19Å; L63-Y71 HydrophobicContact CD2-CE1 3.86Å; L63-Y71 HydrophobicContact CD2-CE2 3.86Å; L63-Y71 HydrophobicContact CD2-CG 4.37Å; L63-Y71 HydrophobicContact CG-CD2 4.49Å; L63-Y71 HydrophobicContact CG-CG 4.5Å; L63-Y71 WeakPolarHBondContact O-CD2 3.31Å; L63-L76 HydrophobicContact CD1-CB 4.37Å; L63-L76 HydrophobicContact CD1-CD1 4.33Å; L63-L77 HydrophobicContact CB-CD2 3.96Å; L63-L80 HydrophobicContact CD1-CD1 3.74Å
64	A	98.3	Very high	98.2	Very high	23 Å²	23	56.9 Å²	56.9	19%	0.19	32%	0.322	C	S	.	.	H	α-helix	trans	-58.9	-38.7	176.1	0	0	0	0	0	112	Y60 F68 L77	Y60-A64 HydrophobicContact CE1-CB 4.26Å; Y60-A64 WeakPolarHBondContact O-CB 3.49Å; Y60-A64 PolarHBondContact O-N 2.84Å; A64-F68 HydrophobicContact CB-CD2 4.06Å; A64-F68 PolarHBondContact O-N 2.88Å; A64-L77 HydrophobicContact CB-CD1 4.26Å; A64-L77 HydrophobicContact CB-CD2 4.32Å
65	G	98.3	Very high	98.2	Very high	70 Å²	70	55.8 Å²	55.8	72%	0.722	32%	0.318	S	S	*	.	H	α-helix	trans	-71.3	-29.6	175.5	0	0	0	0	0	114.2	N61 D62 L63	N61-G65 PolarHBondContact O-N 2.85Å; D62-G65 PolarHBondContact O-N 3.01Å; L63-G65 VanDerWaalsContact C-N 3.26Å; L63-G65 PolarHBondContact O-N 2.7Å
66	K	98	Very high	98.1	Very high	110 Å²	110	53.3 Å²	53.3	48%	0.478	30%	0.303	S	S	.	.	H	α-helix	trans	-73.9	-54.2	176.3	-77.1	167	174.3	169.4	0	112.5	N48 D62 L63 Y71	N48-K66 PolarHBondContact OD1-NZ 3.19Å; D62-K66 WeakPolarHBondContact O-CG 3.45Å; D62-K66 PolarHBondContact O-N 2.77Å; D62-K66 WeakPolarHBondContact OD1-CE 3.38Å; D62-K66 IonicContact OD1-NZ 3.55Å; D62-K66 VanDerWaalsContact OD2-CE 3.26Å; D62-K66 WeakPolarHBondContact OD2-CE 3.31Å; D62-K66 IonicContact OD2-NZ 3.59Å; D62-K66 PolarHBondContact OD2-NZ 2.87Å; L63-K66 HydrophobicContact CD2-CD 4.4Å; L63-K66 PolarHBondContact O-N 2.86Å; L63-K66 VanDerWaalsContact O-N 3.12Å; K66-Y71 HydrophobicContact CB-CE2 3.97Å
67	D	97.9	Very high	98.1	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-163	90.4	178.1	-170.6	-26.2	0	0	0	110.9	L63 N69 L70 Y71	L63-D67 PolarHBondContact O-N 3.48Å; D67-N69 VanDerWaalsContact C-N 3.27Å; D67-N69 PolarHBondContact O-N 2.74Å; D67-N69 PolarHBondContact OD1-N 3.49Å; D67-N69 VanDerWaalsContact OD1-N 3.14Å; D67-L70 HydrophobicContact CB-CB 3.87Å; D67-L70 HydrophobicContact CB-CD2 4.34Å; D67-L70 PolarHBondContact O-N 3.22Å; D67-L70 WeakPolarHBondContact OD1-CB 3.15Å; D67-L70 PolarHBondContact OD1-N 2.93Å; D67-L70 WeakPolarHBondContact OD2-CB 3.3Å; D67-Y71 HydrophobicContact CB-CD2 4.22Å; D67-Y71 HydrophobicContact CB-CE2 4.16Å; D67-Y71 WeakPolarHBondContact O-CD2 3.31Å; D67-Y71 PolarHBondContact O-N 3.48Å; D67-Y71 VanDerWaalsContact O-N 3.14Å
68	F	98.2	Very high	98.1	Very high	107 Å²	107	56.4 Å²	56.4	47%	0.469	31%	0.313	S	S	.	.	H	α-helix	trans	-54.9	-41.1	-179.4	-175.1	-93	0	0	0	113.3	A64 T72 L77	A64-F68 HydrophobicContact CB-CD2 4.06Å; A64-F68 PolarHBondContact O-N 2.88Å; F68-T72 VanDerWaalsContact O-CB 3.28Å; F68-T72 WeakPolarHBondContact O-CB 3.37Å; F68-T72 PolarHBondContact O-N 3.47Å; F68-T72 PolarHBondContact O-OG1 3.49Å; F68-L77 HydrophobicContact CD2-CD1 3.7Å; F68-L77 HydrophobicContact CE2-CD1 3.85Å; F68-L77 HydrophobicContact CG-CD1 4.32Å
69	N	98.1	Very high	98.1	Very high	108 Å²	108	54.8 Å²	54.8	58%	0.578	30%	0.298	S	S	*	.	H	α-helix	trans	-71.9	-48	-174.7	-71.4	-34.1	0	0	0	111.1	D67 Y71 T72 Q73	D67-N69 VanDerWaalsContact C-N 3.27Å; D67-N69 PolarHBondContact O-N 2.74Å; D67-N69 PolarHBondContact OD1-N 3.49Å; D67-N69 VanDerWaalsContact OD1-N 3.14Å; N69-Y71 PolarHBondContact O-N 2.88Å; N69-T72 PolarHBondContact O-N 2.9Å; N69-Q73 WeakPolarHBondContact O-CB 3.32Å; N69-Q73 VanDerWaalsContact O-CG 3.27Å; N69-Q73 WeakPolarHBondContact O-CG 3.29Å; N69-Q73 PolarHBondContact O-N 3.42Å
70	L	98	Very high	98.1	Very high	51 Å²	51	54.8 Å²	54.8	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-57.6	-49.7	177.9	174.9	67.1	0	0	0	111.6	P42 D67 T72 Q73 N74	P42-L70 HydrophobicContact CB-CD2 4.12Å; P42-L70 HydrophobicContact CG-CD2 4.08Å; D67-L70 HydrophobicContact CB-CB 3.87Å; D67-L70 HydrophobicContact CB-CD2 4.34Å; D67-L70 PolarHBondContact O-N 3.22Å; D67-L70 WeakPolarHBondContact OD1-CB 3.15Å; D67-L70 PolarHBondContact OD1-N 2.93Å; D67-L70 WeakPolarHBondContact OD2-CB 3.3Å; L70-T72 VanDerWaalsContact C-N 3.3Å; L70-T72 PolarHBondContact O-N 2.87Å; L70-Q73 PolarHBondContact O-N 2.8Å; L70-N74 VanDerWaalsContact O-CG 3.25Å; L70-N74 PolarHBondContact O-N 3.14Å; L70-N74 PolarHBondContact O-ND2 2.64Å
71	Y	98.3	Very high	98.1	Very high	4 Å²	4	56 Å²	56	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-76.5	-17.5	-176.3	-64.9	-62	0	0	0	113.5	N48 L63 K66 D67 N69 N74 L76 L77	N48-Y71 WeakPolarHBondContact ND2-CE1 3.45Å; N48-Y71 PolarHBondContact ND2-OH 3.42Å; L63-Y71 HydrophobicContact CB-CD1 4.5Å; L63-Y71 HydrophobicContact CB-CD2 3.78Å; L63-Y71 HydrophobicContact CB-CE2 4.24Å; L63-Y71 HydrophobicContact CB-CG 3.95Å; L63-Y71 HydrophobicContact CD1-CD1 4.27Å; L63-Y71 HydrophobicContact CD1-CG 4.45Å; L63-Y71 HydrophobicContact CD2-CD1 4.2Å; L63-Y71 HydrophobicContact CD2-CD2 4.19Å; L63-Y71 HydrophobicContact CD2-CE1 3.86Å; L63-Y71 HydrophobicContact CD2-CE2 3.86Å; L63-Y71 HydrophobicContact CD2-CG 4.37Å; L63-Y71 HydrophobicContact CG-CD2 4.49Å; L63-Y71 HydrophobicContact CG-CG 4.5Å; L63-Y71 WeakPolarHBondContact O-CD2 3.31Å; K66-Y71 HydrophobicContact CB-CE2 3.97Å; D67-Y71 HydrophobicContact CB-CD2 4.22Å; D67-Y71 HydrophobicContact CB-CE2 4.16Å; D67-Y71 WeakPolarHBondContact O-CD2 3.31Å; D67-Y71 PolarHBondContact O-N 3.48Å; D67-Y71 VanDerWaalsContact O-N 3.14Å; N69-Y71 PolarHBondContact O-N 2.88Å; Y71-N74 VanDerWaalsContact CA-OD1 3.32Å; Y71-N74 WeakPolarHBondContact CA-OD1 3.37Å; Y71-N74 PolarHBondContact O-OD1 3.4Å; Y71-L76 HydrophobicContact CD1-CB 4.38Å; Y71-L76 HydrophobicContact CD1-CD1 3.68Å; Y71-L76 HydrophobicContact CE1-CD1 4.08Å; Y71-L76 PolarHBondContact O-N 3.28Å; Y71-L77 PolarHBondContact O-N 3.1Å
72	T	98	Very high	98	Very high	47 Å²	47	52.8 Å²	52.8	29%	0.288	29%	0.285	S	S	.	.	H	α-helix	trans	-73.4	-49.5	165.2	-60.2	0	0	0	0	110.5	F68 N69 L70 N74 G75	F68-T72 VanDerWaalsContact O-CB 3.28Å; F68-T72 WeakPolarHBondContact O-CB 3.37Å; F68-T72 PolarHBondContact O-N 3.47Å; F68-T72 PolarHBondContact O-OG1 3.49Å; N69-T72 PolarHBondContact O-N 2.9Å; L70-T72 VanDerWaalsContact C-N 3.3Å; L70-T72 PolarHBondContact O-N 2.87Å; T72-N74 PolarHBondContact O-N 3.27Å; T72-G75 PolarHBondContact O-N 2.98Å
73	Q	97	Very high	98	Very high	165 Å²	165	49.9 Å²	49.9	77%	0.771	27%	0.27	S	S	*	.	H	α-helix	trans	-63.7	-37.7	-175.2	-74.5	174.9	13.7	0	0	113.1	N69 L70 G75	N69-Q73 WeakPolarHBondContact O-CB 3.32Å; N69-Q73 VanDerWaalsContact O-CG 3.27Å; N69-Q73 WeakPolarHBondContact O-CG 3.29Å; N69-Q73 PolarHBondContact O-N 3.42Å; L70-Q73 PolarHBondContact O-N 2.8Å; Q73-G75 PolarHBondContact O-N 3.47Å
74	N	95.4	Very high	98	Very high	50 Å²	50	52.5 Å²	52.5	27%	0.267	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	4.7	175.5	70	19.8	0	0	0	113.8	L70 Y71 T72 L76 H140	L70-N74 VanDerWaalsContact O-CG 3.25Å; L70-N74 PolarHBondContact O-N 3.14Å; L70-N74 PolarHBondContact O-ND2 2.64Å; Y71-N74 VanDerWaalsContact CA-OD1 3.32Å; Y71-N74 WeakPolarHBondContact CA-OD1 3.37Å; Y71-N74 PolarHBondContact O-OD1 3.4Å; T72-N74 PolarHBondContact O-N 3.27Å; N74-L76 VanDerWaalsContact C-N 3.3Å; N74-L76 PolarHBondContact O-N 3.12Å; N74-L76 VanDerWaalsContact OD1-CB 3.28Å; N74-L76 WeakPolarHBondContact OD1-CB 3.34Å; N74-L76 VanDerWaalsContact OD1-CG 3.23Å; N74-L76 WeakPolarHBondContact OD1-CG 3.31Å; N74-L76 PolarHBondContact OD1-N 3.29Å; N74-L76 VanDerWaalsContact OD1-N 3.07Å; N74-H140 PolarHBondContact O-NE2 2.7Å
75	G	97.4	Very high	98	Very high	13 Å²	13	58.9 Å²	58.9	13%	0.134	31%	0.307	C	S	.	.	S	Bend	trans	77.6	1	176	0	0	0	0	0	115.7	T72 Q73 N78 M79	T72-G75 PolarHBondContact O-N 2.98Å; Q73-G75 PolarHBondContact O-N 3.47Å; G75-N78 PolarHBondContact O-N 2.81Å; G75-M79 VanDerWaalsContact O-CB 3.29Å; G75-M79 WeakPolarHBondContact O-CB 3.38Å; G75-M79 PolarHBondContact O-N 2.77Å
76	L	98.2	Very high	98	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-40.9	-177.6	-72.8	-176.7	0	0	0	113.2	L39 P40 L63 Y71 N74 M79 L80	L39-L76 HydrophobicContact CB-CD1 4.32Å; L39-L76 HydrophobicContact CD2-CD2 3.98Å; P40-L76 HydrophobicContact CB-CD1 4.22Å; P40-L76 HydrophobicContact CG-CD1 4.47Å; P40-L76 WeakPolarHBondContact O-CD1 3.28Å; L63-L76 HydrophobicContact CD1-CB 4.37Å; L63-L76 HydrophobicContact CD1-CD1 4.33Å; Y71-L76 HydrophobicContact CD1-CB 4.38Å; Y71-L76 HydrophobicContact CD1-CD1 3.68Å; Y71-L76 HydrophobicContact CE1-CD1 4.08Å; Y71-L76 PolarHBondContact O-N 3.28Å; N74-L76 VanDerWaalsContact C-N 3.3Å; N74-L76 PolarHBondContact O-N 3.12Å; N74-L76 VanDerWaalsContact OD1-CB 3.28Å; N74-L76 WeakPolarHBondContact OD1-CB 3.34Å; N74-L76 VanDerWaalsContact OD1-CG 3.23Å; N74-L76 WeakPolarHBondContact OD1-CG 3.31Å; N74-L76 PolarHBondContact OD1-N 3.29Å; N74-L76 VanDerWaalsContact OD1-N 3.07Å; L76-M79 HydrophobicContact CD2-CE 3.43Å; L76-M79 VanDerWaalsContact CD2-CE 3.43Å; L76-M79 HydrophobicContact CD2-SD 4.36Å; L76-M79 PolarHBondContact O-N 2.98Å; L76-L80 WeakPolarHBondContact O-CB 3.21Å; L76-L80 WeakPolarHBondContact O-CD1 3.4Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.34Å; L76-L80 PolarHBondContact O-N 3.08Å
77	L	98.5	Very high	98	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-41.2	178.2	-65.4	-172.1	0	0	0	111.8	Y60 L63 A64 F68 Y71 L80 E81	Y60-L77 HydrophobicContact CD2-CB 4.36Å; Y60-L77 HydrophobicContact CD2-CD2 3.92Å; Y60-L77 HydrophobicContact CE2-CB 3.86Å; Y60-L77 HydrophobicContact CE2-CD2 4Å; Y60-L77 HydrophobicContact CE2-CG 4.36Å; Y60-L77 HydrophobicContact CG-CD2 4.38Å; L63-L77 HydrophobicContact CB-CD2 3.96Å; A64-L77 HydrophobicContact CB-CD1 4.26Å; A64-L77 HydrophobicContact CB-CD2 4.32Å; F68-L77 HydrophobicContact CD2-CD1 3.7Å; F68-L77 HydrophobicContact CE2-CD1 3.85Å; F68-L77 HydrophobicContact CG-CD1 4.32Å; Y71-L77 PolarHBondContact O-N 3.1Å; L77-L80 PolarHBondContact O-N 2.89Å; L77-E81 PolarHBondContact O-N 2.94Å
78	N	98.1	Very high	98.1	Very high	106 Å²	106	54.1 Å²	54.1	57%	0.567	27%	0.274	S	S	*	.	H	α-helix	trans	-64.5	-42.2	175.4	-68.7	-19.4	0	0	0	111.9	G75 L80 E81 R82	G75-N78 PolarHBondContact O-N 2.81Å; N78-L80 VanDerWaalsContact C-N 3.3Å; N78-L80 PolarHBondContact O-N 3.05Å; N78-E81 WeakPolarHBondContact O-CB 3.37Å; N78-E81 PolarHBondContact O-N 2.86Å; N78-R82 PolarHBondContact O-N 3.32Å
79	M	98.4	Very high	98.1	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.039	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-41.4	174.5	-175.5	-170.2	66.9	0	0	111.5	M11 N12 L39 G75 L76 R82 N83	M11-M79 HydrophobicContact CB-CE 4.16Å; M11-M79 HydrophobicContact SD-CE 4.16Å; N12-M79 HydrophobicContact CB-SD 3.69Å; L39-M79 HydrophobicContact CD2-CE 3.72Å; G75-M79 VanDerWaalsContact O-CB 3.29Å; G75-M79 WeakPolarHBondContact O-CB 3.38Å; G75-M79 PolarHBondContact O-N 2.77Å; L76-M79 HydrophobicContact CD2-CE 3.43Å; L76-M79 VanDerWaalsContact CD2-CE 3.43Å; L76-M79 HydrophobicContact CD2-SD 4.36Å; L76-M79 PolarHBondContact O-N 2.98Å; M79-R82 WeakPolarHBondContact O-CB 3.31Å; M79-R82 PolarHBondContact O-N 2.88Å; M79-N83 PolarHBondContact O-N 3.45Å; M79-N83 PolarHBondContact O-OD1 2.77Å
80	L	98.7	Very high	98.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71.1	-35.5	177.1	-73.6	163.9	0	0	0	112.3	M11 Y56 I59 Y60 L63 L76 L77 N78 N83 K84	M11-L80 HydrophobicContact CE-CD2 3.98Å; M11-L80 HydrophobicContact SD-CD2 3.93Å; Y56-L80 HydrophobicContact CD1-CD2 3.9Å; I59-L80 HydrophobicContact CB-CD2 4.21Å; I59-L80 HydrophobicContact CG2-CD1 3.83Å; I59-L80 HydrophobicContact CG2-CD2 3.93Å; Y60-L80 HydrophobicContact CD2-CB 3.96Å; L63-L80 HydrophobicContact CD1-CD1 3.74Å; L76-L80 WeakPolarHBondContact O-CB 3.21Å; L76-L80 WeakPolarHBondContact O-CD1 3.4Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.34Å; L76-L80 PolarHBondContact O-N 3.08Å; L77-L80 PolarHBondContact O-N 2.89Å; N78-L80 VanDerWaalsContact C-N 3.3Å; N78-L80 PolarHBondContact O-N 3.05Å; L80-N83 PolarHBondContact O-N 3.43Å; L80-K84 VanDerWaalsContact O-CG 3.27Å; L80-K84 WeakPolarHBondContact O-CG 3.33Å; L80-K84 PolarHBondContact O-N 2.77Å
81	E	98.5	Very high	98.1	Very high	68 Å²	68	49 Å²	49	32%	0.318	24%	0.243	S	C	.	.	H	α-helix	trans	-55.6	-50.7	169.6	-76.1	-58.3	155.2	0	0	111.2	Y60 L77 N78 N83 K84 Q85	Y60-E81 HydrophobicContact CD2-CG 4.45Å; Y60-E81 HydrophobicContact CE2-CG 3.85Å; Y60-E81 WeakPolarHBondContact CE2-OE1 3.47Å; Y60-E81 PolarHBondContact OH-OE1 2.97Å; L77-E81 PolarHBondContact O-N 2.94Å; N78-E81 WeakPolarHBondContact O-CB 3.37Å; N78-E81 PolarHBondContact O-N 2.86Å; E81-N83 VanDerWaalsContact C-N 3.33Å; E81-N83 PolarHBondContact O-N 3.19Å; E81-K84 VanDerWaalsContact CD-CE 3.48Å; E81-K84 PolarHBondContact O-N 3.32Å; E81-K84 IonicContact OE1-NZ 2.77Å; E81-K84 PolarHBondContact OE1-NZ 3.19Å; E81-K84 WeakPolarHBondContact OE2-CE 3.36Å; E81-K84 IonicContact OE2-NZ 3.24Å; E81-K84 PolarHBondContact OE2-NZ 3.21Å; E81-Q85 WeakPolarHBondContact O-CG 3.48Å; E81-Q85 PolarHBondContact O-N 3.17Å
82	R	98.5	Very high	98.2	Very high	41 Å²	41	51.7 Å²	51.7	16%	0.155	25%	0.253	C	S	.	.	H	α-helix	trans	-55	-48.9	173.8	178.4	-157.4	66.2	-149.9	-1.1	111.4	M11 E16 N78 M79 K84 Q85 I86	M11-R82 PolarHBondContact O-NH2 2.96Å; E16-R82 WeakPolarHBondContact OE2-CD 3.24Å; E16-R82 IonicContact OE2-CZ 2.67Å; E16-R82 IonicContact OE2-NE 2.77Å; E16-R82 IonicContact OE2-NH1 3.22Å; E16-R82 PolarHBondContact OE2-NH1 3.24Å; N78-R82 PolarHBondContact O-N 3.32Å; M79-R82 WeakPolarHBondContact O-CB 3.31Å; M79-R82 PolarHBondContact O-N 2.88Å; R82-K84 PolarHBondContact O-N 3.35Å; R82-Q85 PolarHBondContact O-N 2.95Å; R82-Q85 VanDerWaalsContact O-N 3.16Å; R82-I86 HydrophobicContact CG-CD1 3.97Å; R82-I86 PolarHBondContact O-N 3.15Å
83	N	98.8	Very high	98.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-40.7	-175.3	-69.5	-2.3	0	0	0	112.9	M11 M15 Y56 M79 L80 E81 Q85 I86 K87	M11-N83 PolarHBondContact O-ND2 2.67Å; M11-N83 PolarHBondContact O-OD1 3.24Å; M15-N83 WeakPolarHBondContact CB-OD1 3.33Å; M15-N83 HydrophobicContact CE-CB 3.84Å; Y56-N83 HydrophobicContact CD1-CB 3.75Å; Y56-N83 HydrophobicContact CD2-CB 3.77Å; Y56-N83 HydrophobicContact CE1-CB 3.88Å; Y56-N83 HydrophobicContact CE2-CB 3.89Å; Y56-N83 HydrophobicContact CG-CB 3.69Å; M79-N83 PolarHBondContact O-N 3.45Å; M79-N83 PolarHBondContact O-OD1 2.77Å; L80-N83 PolarHBondContact O-N 3.43Å; E81-N83 VanDerWaalsContact C-N 3.33Å; E81-N83 PolarHBondContact O-N 3.19Å; N83-Q85 PolarHBondContact O-N 2.84Å; N83-I86 PolarHBondContact O-N 3.42Å; N83-K87 PolarHBondContact O-N 2.82Å; N83-K87 VanDerWaalsContact O-N 3.13Å; N83-K87 VanDerWaalsContact O-O 3.05Å
84	K	98.1	Very high	98.2	Very high	56 Å²	56	44 Å²	44	24%	0.243	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-30.3	176.9	-71.2	176.9	-53.8	178.1	0	113	A57 L80 E81 R82 I86	A57-K84 HydrophobicContact CB-CD 4.04Å; A57-K84 HydrophobicContact CB-CG 4.48Å; L80-K84 VanDerWaalsContact O-CG 3.27Å; L80-K84 WeakPolarHBondContact O-CG 3.33Å; L80-K84 PolarHBondContact O-N 2.77Å; E81-K84 VanDerWaalsContact CD-CE 3.48Å; E81-K84 PolarHBondContact O-N 3.32Å; E81-K84 IonicContact OE1-NZ 2.77Å; E81-K84 PolarHBondContact OE1-NZ 3.19Å; E81-K84 WeakPolarHBondContact OE2-CE 3.36Å; E81-K84 IonicContact OE2-NZ 3.24Å; E81-K84 PolarHBondContact OE2-NZ 3.21Å; R82-K84 PolarHBondContact O-N 3.35Å; K84-I86 VanDerWaalsContact C-N 3.32Å
85	Q	97.9	Very high	98.2	Very high	157 Å²	157	47.4 Å²	47.4	73%	0.734	23%	0.228	S	C	*	.	H	α-helix	trans	-78.4	-16.6	177.4	-58.1	-54.3	-43.2	0	0	113.2	E81 R82 N83	E81-Q85 WeakPolarHBondContact O-CG 3.48Å; E81-Q85 PolarHBondContact O-N 3.17Å; R82-Q85 PolarHBondContact O-N 2.95Å; R82-Q85 VanDerWaalsContact O-N 3.16Å; N83-Q85 PolarHBondContact O-N 2.84Å
86	I	98.5	Very high	98.2	Very high	43 Å²	43	47.3 Å²	47.3	22%	0.221	23%	0.225	C	C	.	.	H	α-helix	trans	-94.6	-50.7	-176.9	-64.8	165	0	0	0	110.5	M15 H18 R82 N83 K84	M15-I86 HydrophobicContact CE-CB 3.7Å; M15-I86 HydrophobicContact CE-CD1 3.9Å; M15-I86 HydrophobicContact CE-CG1 4.4Å; M15-I86 HydrophobicContact CE-CG2 3.71Å; H18-I86 HydrophobicContact CB-CG2 4.43Å; H18-I86 WeakPolarHBondContact NE2-CG2 3.2Å; R82-I86 HydrophobicContact CG-CD1 3.97Å; R82-I86 PolarHBondContact O-N 3.15Å; N83-I86 PolarHBondContact O-N 3.42Å; K84-I86 VanDerWaalsContact C-N 3.32Å
87	K	98.5	Very high	97.9	Very high	31 Å²	31	52.6 Å²	52.6	14%	0.135	26%	0.258	C	S	.	.			trans	-158.2	168.4	177.4	66.1	-174.6	-172.3	164.8	0	111.4	N10 M15 S30 Y56 N83 R89 E91	N10-K87 WeakPolarHBondContact OD1-CE 3.19Å; N10-K87 PolarHBondContact OD1-NZ 3.44Å; M15-K87 HydrophobicContact CE-CG 4.13Å; S30-K87 PolarHBondContact O-NZ 3.34Å; Y56-K87 VanDerWaalsContact CD2-O 3.28Å; Y56-K87 WeakPolarHBondContact CD2-O 3.26Å; Y56-K87 HydrophobicContact CE2-CG 3.9Å; N83-K87 PolarHBondContact O-N 2.82Å; N83-K87 VanDerWaalsContact O-N 3.13Å; N83-K87 VanDerWaalsContact O-O 3.05Å; K87-R89 VanDerWaalsContact CE-O 3.26Å; K87-R89 WeakPolarHBondContact CE-O 3.35Å; K87-E91 WeakPolarHBondContact CD-OE2 3.31Å; K87-E91 IonicContact NZ-OE2 2.71Å; K87-E91 PolarHBondContact NZ-OE2 3.05Å
88	S	98.3	Very high	97.8	Very high	76 Å²	76	56.6 Å²	56.6	53%	0.531	28%	0.279	S	S	.	.	S	Bend	trans	-72.8	-34.1	-170	62.2	0	0	0	0	114.6	T55 Y56	T55-S88 WeakPolarHBondContact CA-O 3.26Å; T55-S88 VanDerWaalsContact CB-O 3.29Å; T55-S88 WeakPolarHBondContact CB-O 3.3Å; Y56-S88 PolarHBondContact N-O 2.82Å
89	R	98.7	Very high	97.7	Very high	101 Å²	101	53.5 Å²	53.5	38%	0.381	26%	0.264	S	S	.	.	S	Bend	trans	-152.4	159.8	-173.6	62.7	178.4	148.4	75.9	4.5	111.7	T55 Y56 K87	T55-R89 HydrophobicContact CG2-CB 4.45Å; Y56-R89 WeakPolarHBondContact CE2-O 3.47Å; K87-R89 VanDerWaalsContact CE-O 3.26Å; K87-R89 WeakPolarHBondContact CE-O 3.35Å
90	P	98.7	Very high	97.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.			trans	-62.5	148.2	166.4	27.4	-33.2	0	0	0	110.5	N10 V37 F52 T54 Y56	N10-P90 HydrophobicContact CB-CB 3.89Å; N10-P90 WeakPolarHBondContact OD1-CA 3.21Å; V37-P90 HydrophobicContact CG2-CB 4.02Å; V37-P90 HydrophobicContact CG2-CG 3.64Å; F52-P90 HydrophobicContact CD1-CB 3.77Å; F52-P90 HydrophobicContact CD1-CG 4.28Å; F52-P90 HydrophobicContact CE1-CB 4.05Å; T54-P90 WeakPolarHBondContact O-CD 3.44Å; Y56-P90 HydrophobicContact CE1-CB 4.05Å; Y56-P90 HydrophobicContact CE1-CG 4.17Å; Y56-P90 VanDerWaalsContact CZ-N 3.34Å; Y56-P90 WeakPolarHBondContact OH-CA 3.3Å
91	E	98.6	Very high	97.6	Very high	58 Å²	58	54.9 Å²	54.9	27%	0.271	27%	0.271	S	S	.	.			trans	-130.7	145.7	-176.8	-67.1	169.2	141.4	0	0	110.2	N10 F31 G32 K87	N10-E91 PolarHBondContact OD1-N 3.38Å; F31-E91 CarbonylContact C-O 3.58Å; F31-E91 WeakPolarHBondContact CA-O 3.41Å; F31-E91 HydrophobicContact CD1-CB 3.82Å; F31-E91 HydrophobicContact CE1-CB 4.21Å; G32-E91 PolarHBondContact N-O 3.48Å; K87-E91 WeakPolarHBondContact CD-OE2 3.31Å; K87-E91 IonicContact NZ-OE2 2.71Å; K87-E91 PolarHBondContact NZ-OE2 3.05Å
92	R	98.5	Very high	97.6	Very high	60 Å²	60	51.6 Å²	51.6	23%	0.226	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-91.4	134.6	178.8	-65.4	-176.6	64.5	-130.3	-0.5	110.2	G32 G34 F52 Q94 E95	G32-R92 CarbonylContact O-C 3.53Å; G32-R92 VanDerWaalsContact O-CA 3.24Å; G32-R92 WeakPolarHBondContact O-CA 3.35Å; G34-R92 PolarHBondContact O-NE 3.46Å; F52-R92 HydrophobicContact CB-CG 3.92Å; F52-R92 HydrophobicContact CD1-CG 3.41Å; F52-R92 VanDerWaalsContact CD1-CG 3.41Å; F52-R92 HydrophobicContact CD2-CG 3.64Å; F52-R92 HydrophobicContact CE1-CG 3.72Å; F52-R92 HydrophobicContact CE2-CG 3.93Å; F52-R92 HydrophobicContact CG-CG 3.37Å; F52-R92 HydrophobicContact CZ-CG 3.96Å; R92-Q94 PolarHBondContact O-N 3.12Å; R92-E95 HydrophobicContact CB-CB 4.35Å; R92-E95 HydrophobicContact CB-CG 4.1Å; R92-E95 WeakPolarHBondContact CD-OE1 3.45Å; R92-E95 IonicContact CZ-OE1 3.27Å; R92-E95 IonicContact NH1-OE1 3.51Å; R92-E95 PolarHBondContact NH1-OE1 2.74Å; R92-E95 PolarHBondContact O-N 3.49Å; R92-E95 VanDerWaalsContact O-N 3.11Å
93	F	98.4	Very high	97.6	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-62	-36.3	178.3	-173.8	-118.9	0	0	0	110.7	V6 F31 G32 T33 E95 C96 F100 V103 A114 Y117 M118	V6-F93 HydrophobicContact CG1-CB 4.09Å; V6-F93 HydrophobicContact CG1-CG 4.44Å; V6-F93 HydrophobicContact CG2-CD2 4.09Å; V6-F93 HydrophobicContact CG2-CE2 4.48Å; V6-F93 HydrophobicContact CG2-CG 4.26Å; F31-F93 HydrophobicContact CB-CB 3.77Å; F31-F93 HydrophobicContact CB-CD2 4.27Å; F31-F93 HydrophobicContact CB-CG 4.49Å; F31-F93 AromaticContact CD2-CD2 3.78Å; F31-F93 HydrophobicContact CD2-CD2 3.78Å; F31-F93 HydrophobicContact CD2-CE2 4.47Å; F31-F93 HydrophobicContact CE2-CD2 4.35Å; F31-F93 HydrophobicContact CG-CB 4.28Å; F31-F93 HydrophobicContact CG-CD2 4.04Å; G32-F93 PolarHBondContact O-N 3.25Å; T33-F93 HydrophobicContact CG2-CB 4.33Å; F93-E95 PolarHBondContact O-N 3.14Å; F93-E95 VanDerWaalsContact O-N 3.1Å; F93-C96 WeakPolarHBondContact O-CB 3.4Å; F93-C96 PolarHBondContact O-N 3.38Å; F93-F100 HydrophobicContact CE2-CD2 4.42Å; F93-F100 HydrophobicContact CE2-CE2 4.38Å; F93-V103 HydrophobicContact CE2-CG1 4.28Å; F93-V103 HydrophobicContact CE2-CG2 4.27Å; F93-V103 HydrophobicContact CZ-CG1 4.02Å; F93-V103 HydrophobicContact CZ-CG2 3.97Å; F93-A114 HydrophobicContact CD1-CB 3.98Å; F93-A114 HydrophobicContact CE1-CB 3.85Å; F93-Y117 AromaticContact CD1-CD1 3.68Å; F93-Y117 HydrophobicContact CD1-CD1 3.68Å; F93-Y117 HydrophobicContact CD1-CE1 4.33Å; F93-Y117 AromaticContact CE1-CD1 3.61Å; F93-Y117 HydrophobicContact CE1-CD1 3.61Å; F93-Y117 HydrophobicContact CE1-CE1 4.24Å; F93-Y117 HydrophobicContact CG-CD1 4.5Å; F93-Y117 HydrophobicContact CZ-CD1 4.37Å; F93-Y117 VanDerWaalsContact O-CE1 3.32Å; F93-Y117 WeakPolarHBondContact O-CE1 3.46Å; F93-M118 HydrophobicContact CE1-CG 4.49Å
94	Q	97.1	Very high	97.6	Very high	49 Å²	49	49.7 Å²	49.7	23%	0.229	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-67.9	-9.4	179	-53.9	95.7	-27.5	0	0	114.3	T33 R92 Y117	T33-Q94 PolarHBondContact O-NE2 3.06Å; R92-Q94 PolarHBondContact O-N 3.12Å; Q94-Y117 HydrophobicContact CB-CD2 3.85Å; Q94-Y117 HydrophobicContact CB-CE2 4.16Å; Q94-Y117 HydrophobicContact CB-CG 4.23Å; Q94-Y117 HydrophobicContact CG-CD2 4.07Å; Q94-Y117 HydrophobicContact CG-CG 4.05Å; Q94-Y117 WeakPolarHBondContact O-CE2 3.31Å
95	E	96.7	Very high	97.7	Very high	120 Å²	120	47 Å²	47	56%	0.561	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-104.1	-3.6	177.5	-67.6	166.5	-163.9	0	0	111.9	R92 F93	R92-E95 HydrophobicContact CB-CB 4.35Å; R92-E95 HydrophobicContact CB-CG 4.1Å; R92-E95 WeakPolarHBondContact CD-OE1 3.45Å; R92-E95 IonicContact CZ-OE1 3.27Å; R92-E95 IonicContact NH1-OE1 3.51Å; R92-E95 PolarHBondContact NH1-OE1 2.74Å; R92-E95 PolarHBondContact O-N 3.49Å; R92-E95 VanDerWaalsContact O-N 3.11Å; F93-E95 PolarHBondContact O-N 3.14Å; F93-E95 VanDerWaalsContact O-N 3.1Å
96	C	95.7	Very high	97.7	Very high	11 Å²	11	39.5 Å²	39.5	7%	0.074	20%	0.202	C	C	.	.			trans	-90.1	121.4	-176.8	-179	0	0	0	0	111.5	F31 F93 D98 Y117 R121	F31-C96 HydrophobicContact CD1-CB 4.38Å; F31-C96 HydrophobicContact CE1-CB 3.86Å; F31-C96 HydrophobicContact CZ-CB 4.08Å; F31-C96 VanDerWaalsContact CZ-SG 3.57Å; F93-C96 WeakPolarHBondContact O-CB 3.4Å; F93-C96 PolarHBondContact O-N 3.38Å; C96-D98 PolarHBondContact SG-N 2.66Å; C96-Y117 PolarHBondContact O-OH 3.11Å; C96-R121 PolarHBondContact O-NH1 3.49Å
97	T	93.2	Very high	97.7	Very high	115 Å²	115	39.5 Å²	39.5	71%	0.706	20%	0.201	S	C	*	.			trans	-92.2	-5	176.7	53.3	0	0	0	0	113.9	R121	T97-R121 PolarHBondContact O-NH2 3.07Å
98	D	95.1	Very high	97.7	Very high	86 Å²	86	43 Å²	43	46%	0.46	22%	0.218	S	C	.	.			trans	-66	163.5	-179.4	-59.9	-28.6	0	0	0	111.2	C96 F100	C96-D98 PolarHBondContact SG-N 2.66Å; D98-F100 HydrophobicContact CB-CE2 4Å; D98-F100 HydrophobicContact CB-CZ 3.89Å
99	T	96.4	Very high	97.6	Very high	41 Å²	41	44.7 Å²	44.7	25%	0.252	21%	0.213	S	C	.	.			trans	-108.9	144.6	175.6	49.3	0	0	0	0	109.9	R2 Y189	R2-T99 PolarHBondContact NE-O 3.42Å; R2-T99 PolarHBondContact NH1-O 3.11Å; R2-T99 PolarHBondContact NH2-O 2.95Å; R2-T99 PolarHBondContact NH2-OG1 3.27Å; T99-Y189 HydrophobicContact CG2-CD1 3.73Å; T99-Y189 HydrophobicContact CG2-CD2 3.65Å; T99-Y189 HydrophobicContact CG2-CE1 4.14Å; T99-Y189 HydrophobicContact CG2-CE2 4.05Å; T99-Y189 HydrophobicContact CG2-CG 3.46Å; T99-Y189 VanDerWaalsContact CG2-CG 3.46Å
100	F	97.9	Very high	97.6	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.026	20%	0.195	C	C	.	.			trans	-133.5	148.9	-178.4	-61.1	-77.2	0	0	0	110.3	R2 A4 F31 F93 D98 V103 Y189	R2-F100 HydrophobicContact CB-CD1 4.22Å; A4-F100 HydrophobicContact CB-CD1 3.81Å; A4-F100 HydrophobicContact CB-CD2 3.91Å; A4-F100 HydrophobicContact CB-CE1 3.96Å; A4-F100 HydrophobicContact CB-CE2 4.07Å; A4-F100 HydrophobicContact CB-CG 3.8Å; A4-F100 HydrophobicContact CB-CZ 4.1Å; F31-F100 HydrophobicContact CE2-CE1 4.45Å; F31-F100 AromaticContact CE2-CE2 3.98Å; F31-F100 HydrophobicContact CE2-CE2 3.98Å; F31-F100 AromaticContact CE2-CZ 3.64Å; F31-F100 HydrophobicContact CE2-CZ 3.64Å; F31-F100 HydrophobicContact CZ-CE2 4.34Å; F31-F100 AromaticContact CZ-CZ 3.87Å; F31-F100 HydrophobicContact CZ-CZ 3.87Å; F93-F100 HydrophobicContact CE2-CD2 4.42Å; F93-F100 HydrophobicContact CE2-CE2 4.38Å; D98-F100 HydrophobicContact CB-CE2 4Å; D98-F100 HydrophobicContact CB-CZ 3.89Å; F100-V103 HydrophobicContact CB-CG2 4.08Å; F100-V103 HydrophobicContact CD2-CG2 4.45Å; F100-Y189 WeakPolarHBondContact CD2-OH 3.44Å; F100-Y189 VanDerWaalsContact N-CZ 3.34Å; F100-Y189 PolarHBondContact N-OH 3.44Å; F100-Y189 VanDerWaalsContact O-CE2 3.26Å; F100-Y189 WeakPolarHBondContact O-CE2 3.27Å
101	D	98.3	Very high	97.6	Very high	31 Å²	31	40.2 Å²	40.2	17%	0.166	20%	0.196	C	C	.	.	S	Bend	trans	-78.2	-38.6	172.6	-57.4	-52.4	0	0	0	109.8	M1 R2 H127 H130 L163	M1-D101 VanDerWaalsContact C-OD2 3.29Å; M1-D101 WeakPolarHBondContact CA-OD2 3.42Å; M1-D101 HydrophobicContact CG-CB 3.42Å; M1-D101 VanDerWaalsContact CG-CB 3.42Å; M1-D101 VanDerWaalsContact CG-OD2 3.3Å; M1-D101 WeakPolarHBondContact CG-OD2 3.25Å; M1-D101 HydrophobicContact SD-CB 4.33Å; R2-D101 PolarHBondContact N-OD2 3.02Å; R2-D101 PolarHBondContact O-N 3.43Å; D101-H127 IonicContact OD1-CE1 2.97Å; D101-H127 PolarHBondContact OD1-CE1 2.89Å; D101-H127 IonicContact OD1-NE2 3.98Å; D101-H127 PolarHBondContact OD1-NE2 3.4Å; D101-H130 PolarHBondContact O-N 3.04Å; D101-L163 HydrophobicContact CB-CD2 4.12Å
102	V	98.6	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	130.4	-177.4	-175.5	0	0	0	0	111	M1 R2 F3 A4 I104 H130 I132 L157 L163	M1-V102 HydrophobicContact SD-CG2 3.98Å; R2-V102 PolarHBondContact O-N 3.27Å; F3-V102 CarbonylContact C-O 3.56Å; F3-V102 WeakPolarHBondContact CA-O 3.35Å; F3-V102 HydrophobicContact CD1-CB 3.77Å; F3-V102 HydrophobicContact CD1-CG1 4.32Å; F3-V102 HydrophobicContact CD1-CG2 4.41Å; F3-V102 HydrophobicContact CE1-CB 3.92Å; F3-V102 HydrophobicContact CE1-CG1 4.47Å; F3-V102 HydrophobicContact CE1-CG2 4.07Å; A4-V102 PolarHBondContact N-O 3.16Å; V102-I104 HydrophobicContact CG1-CG1 4.04Å; V102-H130 CarbonylContact C-O 3.42Å; V102-H130 VanDerWaalsContact CA-O 3.28Å; V102-H130 WeakPolarHBondContact CA-O 3.5Å; V102-H130 HydrophobicContact CG2-CB 4.42Å; V102-I132 HydrophobicContact CG1-CD1 4.28Å; V102-I132 HydrophobicContact CG1-CG1 4.31Å; V102-L157 HydrophobicContact CG1-CD1 4.14Å; V102-L157 HydrophobicContact CG2-CD1 4.14Å; V102-L163 HydrophobicContact CG2-CD2 3.95Å
103	V	98.7	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.8	174.4	179.3	0	0	0	0	108.8	A4 V6 F93 F100 C129 H130 I131 I132	A4-V103 HydrophobicContact CB-CG1 4.38Å; A4-V103 HydrophobicContact CB-CG2 4.15Å; A4-V103 CarbonylContact O-C 3.52Å; A4-V103 WeakPolarHBondContact O-CA 3.38Å; V6-V103 HydrophobicContact CG2-CG1 3.62Å; F93-V103 HydrophobicContact CE2-CG1 4.28Å; F93-V103 HydrophobicContact CE2-CG2 4.27Å; F93-V103 HydrophobicContact CZ-CG1 4.02Å; F93-V103 HydrophobicContact CZ-CG2 3.97Å; F100-V103 HydrophobicContact CB-CG2 4.08Å; F100-V103 HydrophobicContact CD2-CG2 4.45Å; V103-C129 WeakPolarHBondContact CG2-SG 3.33Å; V103-H130 PolarHBondContact N-O 2.86Å; V103-I131 HydrophobicContact CB-CG1 4.27Å; V103-I131 HydrophobicContact CB-CG2 4.31Å; V103-I131 HydrophobicContact CG1-CG2 4.34Å; V103-I131 CarbonylContact O-C 3.53Å; V103-I131 WeakPolarHBondContact O-CA 3.44Å; V103-I132 PolarHBondContact O-N 2.92Å
104	I	98.8	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	113.5	-178.3	-48.7	-177.3	0	0	0	109.7	A4 V5 V6 V102 I132 I134 M150 I153	A4-I104 PolarHBondContact O-N 3.37Å; V5-I104 CarbonylContact C-O 3.55Å; V5-I104 WeakPolarHBondContact CA-O 3.06Å; V6-I104 PolarHBondContact N-O 3.06Å; V102-I104 HydrophobicContact CG1-CG1 4.04Å; I104-I132 HydrophobicContact CB-CG1 4.21Å; I104-I132 HydrophobicContact CD1-CD1 4.34Å; I104-I132 HydrophobicContact CG1-CD1 3.93Å; I104-I132 HydrophobicContact CG1-CG1 3.92Å; I104-I132 HydrophobicContact CG2-CD1 4.33Å; I104-I132 HydrophobicContact CG2-CG1 4.14Å; I104-I134 HydrophobicContact CG2-CD1 4.16Å; I104-I134 HydrophobicContact CG2-CG1 4.37Å; I104-M150 HydrophobicContact CD1-CG 4.43Å; I104-M150 HydrophobicContact CG2-CE 3.8Å; I104-M150 HydrophobicContact CG2-CG 4.16Å; I104-M150 HydrophobicContact CG2-SD 4.1Å; I104-I153 HydrophobicContact CD1-CG2 4.46Å
105	C	98.8	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	140.6	176.3	-59.9	0	0	0	0	110.6	V6 V110 F111 I132 N133 I134	V6-C105 WeakPolarHBondContact O-CA 3.48Å; C105-V110 HydrophobicContact CB-CB 4.5Å; C105-V110 HydrophobicContact CB-CG1 4.13Å; C105-F111 HydrophobicContact CB-CB 3.82Å; C105-F111 HydrophobicContact CB-CD2 4.29Å; C105-I132 PolarHBondContact N-O 2.98Å; C105-N133 PolarHBondContact O-OD1 3.05Å; C105-I134 PolarHBondContact O-N 3.45Å
106	C	98.4	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-93	-2.9	-176.5	-53.9	0	0	0	0	114.8	V6 C7 R13 I134 I136	V6-C106 PolarHBondContact O-N 3.34Å; V6-C106 PolarHBondContact O-SG 3.34Å; V6-C106 VanDerWaalsContact O-SG 3.32Å; C7-C106 HydrophobicContact CB-CB 4.08Å; R13-C106 HydrophobicContact CB-CB 4.12Å; R13-C106 PolarHBondContact NH1-O 3.38Å; R13-C106 VanDerWaalsContact NH1-O 3.17Å; C106-I134 CarbonylContact C-O 3.36Å; C106-I134 VanDerWaalsContact CA-O 3.31Å; C106-I134 WeakPolarHBondContact CA-O 3.41Å; C106-I136 HydrophobicContact CB-CB 4.41Å; C106-I136 PolarHBondContact O-N 3.1Å
107	E	97.9	Very high	97.7	Very high	42 Å²	42	40.8 Å²	40.8	20%	0.196	20%	0.202	C	C	.	.	S	Bend	trans	-162.5	148.5	175.7	63.1	-172.7	-147.7	0	0	110.3	R13 R109 V110 F111 N133 D135	R13-E107 IonicContact CZ-OE2 3.65Å; R13-E107 VanDerWaalsContact CZ-OE2 3.22Å; R13-E107 IonicContact NH1-OE2 2.7Å; R13-E107 PolarHBondContact NH1-OE2 3.49Å; R13-E107 IonicContact NH2-OE2 3.04Å; R13-E107 PolarHBondContact NH2-OE2 3.06Å; E107-R109 VanDerWaalsContact C-N 3.25Å; E107-R109 PolarHBondContact O-N 2.95Å; E107-R109 VanDerWaalsContact O-N 3.14Å; E107-R109 IonicContact OE1-CZ 2.74Å; E107-R109 VanDerWaalsContact OE1-CZ 3.28Å; E107-R109 IonicContact OE1-NE 2.96Å; E107-R109 PolarHBondContact OE1-NE 3.41Å; E107-R109 IonicContact OE1-NH2 3.87Å; E107-R109 PolarHBondContact OE1-NH2 2.91Å; E107-V110 HydrophobicContact CG-CB 3.82Å; E107-V110 HydrophobicContact CG-CG2 3.37Å; E107-V110 WeakPolarHBondContact O-CA 3.29Å; E107-V110 WeakPolarHBondContact O-CB 3.39Å; E107-V110 PolarHBondContact O-N 3.47Å; E107-F111 PolarHBondContact O-N 3.32Å; E107-N133 WeakPolarHBondContact CA-OD1 3.21Å; E107-N133 PolarHBondContact N-OD1 3.17Å; E107-N133 PolarHBondContact O-OD1 3.34Å; E107-D135 VanDerWaalsContact CA-OD1 3.31Å; E107-D135 WeakPolarHBondContact CA-OD1 3.36Å
108	E	98.1	Very high	97.9	Very high	106 Å²	106	35.6 Å²	35.6	50%	0.495	17%	0.17	S	C	.	.	H	α-helix	trans	-53	-39.7	-177.3	-172.1	-171.5	143.9	0	0	113.5	V110 F111 N112 N133 D135 L183	E108-V110 VanDerWaalsContact C-N 3.27Å; E108-V110 PolarHBondContact O-N 3.12Å; E108-F111 VanDerWaalsContact O-CB 3.3Å; E108-F111 WeakPolarHBondContact O-CB 3.28Å; E108-F111 PolarHBondContact O-N 3.15Å; E108-F111 VanDerWaalsContact O-N 3.14Å; E108-N112 PolarHBondContact O-N 3.11Å; E108-N112 PolarHBondContact O-ND2 3.12Å; E108-N133 PolarHBondContact N-OD1 3.12Å; E108-D135 PolarHBondContact N-OD1 3.27Å; E108-L183 HydrophobicContact CB-CD1 4.49Å; E108-L183 HydrophobicContact CG-CD1 3.86Å
109	R	98.2	Very high	97.9	Very high	110 Å²	110	37.1 Å²	37.1	42%	0.415	18%	0.177	S	C	.	.	H	α-helix	trans	-60.7	-37.9	176.8	-172.7	-175	62.3	76.5	3.2	112.3	S8 E107 Q113	S8-R109 VanDerWaalsContact CB-NH2 3.25Å; S8-R109 PolarHBondContact OG-NH2 2.82Å; E107-R109 VanDerWaalsContact C-N 3.25Å; E107-R109 PolarHBondContact O-N 2.95Å; E107-R109 VanDerWaalsContact O-N 3.14Å; E107-R109 IonicContact OE1-CZ 2.74Å; E107-R109 VanDerWaalsContact OE1-CZ 3.28Å; E107-R109 IonicContact OE1-NE 2.96Å; E107-R109 PolarHBondContact OE1-NE 3.41Å; E107-R109 IonicContact OE1-NH2 3.87Å; E107-R109 PolarHBondContact OE1-NH2 2.91Å; R109-Q113 VanDerWaalsContact NH1-OE1 3.08Å; R109-Q113 VanDerWaalsContact O-CG 3.26Å; R109-Q113 WeakPolarHBondContact O-CG 3.48Å; R109-Q113 PolarHBondContact O-N 3.28Å
110	V	98.6	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-71.9	-38.5	176.8	171.6	0	0	0	0	110.2	V6 T33 C105 E107 E108 Q113 A114	V6-V110 HydrophobicContact CB-CG1 3.92Å; V6-V110 HydrophobicContact CG1-CG1 3.57Å; T33-V110 HydrophobicContact CG2-CG1 3.88Å; C105-V110 HydrophobicContact CB-CB 4.5Å; C105-V110 HydrophobicContact CB-CG1 4.13Å; E107-V110 HydrophobicContact CG-CB 3.82Å; E107-V110 HydrophobicContact CG-CG2 3.37Å; E107-V110 WeakPolarHBondContact O-CA 3.29Å; E107-V110 WeakPolarHBondContact O-CB 3.39Å; E107-V110 PolarHBondContact O-N 3.47Å; E108-V110 VanDerWaalsContact C-N 3.27Å; E108-V110 PolarHBondContact O-N 3.12Å; V110-Q113 PolarHBondContact O-N 3.15Å; V110-A114 WeakPolarHBondContact O-CB 3.42Å; V110-A114 PolarHBondContact O-N 3.28Å
111	F	98.7	Very high	97.5	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.035	20%	0.202	C	C	.	.	H	α-helix	trans	-56.9	-52.2	173.6	179.1	-102.4	0	0	0	111.9	C105 E107 E108 Q113 A114 M115 I131 N133 L183 V185	C105-F111 HydrophobicContact CB-CB 3.82Å; C105-F111 HydrophobicContact CB-CD2 4.29Å; E107-F111 PolarHBondContact O-N 3.32Å; E108-F111 VanDerWaalsContact O-CB 3.3Å; E108-F111 WeakPolarHBondContact O-CB 3.28Å; E108-F111 PolarHBondContact O-N 3.15Å; E108-F111 VanDerWaalsContact O-N 3.14Å; F111-Q113 VanDerWaalsContact C-N 3.3Å; F111-Q113 PolarHBondContact O-N 3.27Å; F111-A114 PolarHBondContact O-N 2.71Å; F111-A114 VanDerWaalsContact O-N 3.1Å; F111-M115 HydrophobicContact CD1-CG 4.48Å; F111-M115 HydrophobicContact CD1-SD 3.63Å; F111-M115 HydrophobicContact CE1-CG 4.29Å; F111-M115 HydrophobicContact CE1-SD 3.18Å; F111-M115 WeakPolarHBondContact CE1-SD 3.39Å; F111-M115 HydrophobicContact CE2-SD 4.43Å; F111-M115 HydrophobicContact CG-SD 4.42Å; F111-M115 HydrophobicContact CZ-CG 4.38Å; F111-M115 HydrophobicContact CZ-SD 3.65Å; F111-M115 WeakPolarHBondContact O-CG 3.19Å; F111-M115 PolarHBondContact O-N 3.04Å; F111-I131 HydrophobicContact CD2-CG2 3.59Å; F111-I131 HydrophobicContact CE2-CB 4.07Å; F111-I131 HydrophobicContact CE2-CG2 3.62Å; F111-I131 WeakPolarHBondContact CE2-O 3.49Å; F111-N133 HydrophobicContact CB-CB 3.94Å; F111-N133 HydrophobicContact CD2-CB 3.72Å; F111-N133 HydrophobicContact CE2-CB 4.33Å; F111-N133 HydrophobicContact CG-CB 3.85Å; F111-L183 HydrophobicContact CD1-CB 4.3Å; F111-L183 HydrophobicContact CD1-CD1 3.96Å; F111-L183 HydrophobicContact CE1-CB 3.8Å; F111-L183 HydrophobicContact CE1-CD1 4.08Å; F111-L183 HydrophobicContact CE2-CB 4.23Å; F111-L183 HydrophobicContact CZ-CB 3.77Å; F111-V185 HydrophobicContact CZ-CB 4.4Å; F111-V185 HydrophobicContact CZ-CG2 3.97Å
112	N	98.4	Very high	97.1	Very high	65 Å²	65	46.9 Å²	46.9	35%	0.348	23%	0.226	S	C	.	.	H	α-helix	trans	-58	-42	176.6	-69	-27.4	0	0	0	112	E108 A114 M115 E116	E108-N112 PolarHBondContact O-N 3.11Å; E108-N112 PolarHBondContact O-ND2 3.12Å; N112-A114 PolarHBondContact O-N 3.27Å; N112-M115 PolarHBondContact O-N 3Å; N112-E116 WeakPolarHBondContact O-CG 3.3Å; N112-E116 PolarHBondContact O-N 2.82Å
113	Q	98.5	Very high	96.6	Very high	49 Å²	49	52.3 Å²	52.3	23%	0.229	25%	0.254	C	S	.	.	H	α-helix	trans	-67.9	-33.6	177.4	-71.9	177.1	-31.2	0	0	113.4	T33 R109 V110 F111 Y117	T33-Q113 HydrophobicContact CG2-CB 3.96Å; T33-Q113 PolarHBondContact OG1-OE1 2.84Å; R109-Q113 VanDerWaalsContact NH1-OE1 3.08Å; R109-Q113 VanDerWaalsContact O-CG 3.26Å; R109-Q113 WeakPolarHBondContact O-CG 3.48Å; R109-Q113 PolarHBondContact O-N 3.28Å; V110-Q113 PolarHBondContact O-N 3.15Å; F111-Q113 VanDerWaalsContact C-N 3.3Å; F111-Q113 PolarHBondContact O-N 3.27Å; Q113-Y117 PolarHBondContact O-N 2.75Å
114	A	98.2	Very high	96.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.9	-40.4	174.4	0	0	0	0	0	111.1	F93 V110 F111 N112 Y117 M118 I131	F93-A114 HydrophobicContact CD1-CB 3.98Å; F93-A114 HydrophobicContact CE1-CB 3.85Å; V110-A114 WeakPolarHBondContact O-CB 3.42Å; V110-A114 PolarHBondContact O-N 3.28Å; F111-A114 PolarHBondContact O-N 2.71Å; F111-A114 VanDerWaalsContact O-N 3.1Å; N112-A114 PolarHBondContact O-N 3.27Å; A114-Y117 WeakPolarHBondContact O-CB 3.18Å; A114-Y117 PolarHBondContact O-N 2.82Å; A114-M118 WeakPolarHBondContact O-CG 3.41Å; A114-M118 PolarHBondContact O-N 3.01Å; A114-I131 HydrophobicContact CB-CD1 4.42Å; A114-I131 HydrophobicContact CB-CG2 4.41Å
115	M	97.8	Very high	95.9	Very high	38 Å²	38	62 Å²	62	19%	0.187	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-49.9	173.9	-68.3	175.3	63.4	0	0	111.9	F111 N112 Y117 M118 I119 I131 V185 F187	F111-M115 HydrophobicContact CD1-CG 4.48Å; F111-M115 HydrophobicContact CD1-SD 3.63Å; F111-M115 HydrophobicContact CE1-CG 4.29Å; F111-M115 HydrophobicContact CE1-SD 3.18Å; F111-M115 WeakPolarHBondContact CE1-SD 3.39Å; F111-M115 HydrophobicContact CE2-SD 4.43Å; F111-M115 HydrophobicContact CG-SD 4.42Å; F111-M115 HydrophobicContact CZ-CG 4.38Å; F111-M115 HydrophobicContact CZ-SD 3.65Å; F111-M115 WeakPolarHBondContact O-CG 3.19Å; F111-M115 PolarHBondContact O-N 3.04Å; N112-M115 PolarHBondContact O-N 3Å; M115-Y117 PolarHBondContact O-N 3.37Å; M115-M118 PolarHBondContact O-N 3.13Å; M115-I119 VanDerWaalsContact O-CG1 3.29Å; M115-I119 WeakPolarHBondContact O-CG1 3.3Å; M115-I119 PolarHBondContact O-N 3.49Å; M115-I131 HydrophobicContact CG-CD1 4.18Å; M115-V185 HydrophobicContact CE-CB 4.34Å; M115-V185 HydrophobicContact CE-CG1 4.31Å; M115-V185 HydrophobicContact CE-CG2 3.91Å; M115-V185 HydrophobicContact SD-CG2 4.29Å; M115-F187 HydrophobicContact CB-CE2 4.25Å; M115-F187 HydrophobicContact CB-CZ 3.89Å; M115-F187 HydrophobicContact CE-CE2 4.48Å; M115-F187 HydrophobicContact CE-CZ 3.98Å; M115-F187 HydrophobicContact CG-CE2 3.8Å; M115-F187 HydrophobicContact CG-CZ 3.85Å
116	E	97.3	Very high	95.6	Very high	130 Å²	130	70.9 Å²	70.9	61%	0.607	34%	0.344	S	S	*	.	H	α-helix	trans	-53.4	-41.8	176.4	-77	173	-175	0	0	111.3	N112 S120	N112-E116 WeakPolarHBondContact O-CG 3.3Å; N112-E116 PolarHBondContact O-N 2.82Å; E116-S120 WeakPolarHBondContact O-CB 3.34Å; E116-S120 PolarHBondContact O-N 3.04Å
117	Y	96.7	Very high	95.4	Very high	30 Å²	30	74 Å²	74	12%	0.118	36%	0.358	C	S	.	.	H	α-helix	trans	-63.8	-49	175.4	174.8	-118	0	0	0	112.1	F93 Q94 C96 Q113 A114 M115 I119 S120 R121	F93-Y117 AromaticContact CD1-CD1 3.68Å; F93-Y117 HydrophobicContact CD1-CD1 3.68Å; F93-Y117 HydrophobicContact CD1-CE1 4.33Å; F93-Y117 AromaticContact CE1-CD1 3.61Å; F93-Y117 HydrophobicContact CE1-CD1 3.61Å; F93-Y117 HydrophobicContact CE1-CE1 4.24Å; F93-Y117 HydrophobicContact CG-CD1 4.5Å; F93-Y117 HydrophobicContact CZ-CD1 4.37Å; F93-Y117 VanDerWaalsContact O-CE1 3.32Å; F93-Y117 WeakPolarHBondContact O-CE1 3.46Å; Q94-Y117 HydrophobicContact CB-CD2 3.85Å; Q94-Y117 HydrophobicContact CB-CE2 4.16Å; Q94-Y117 HydrophobicContact CB-CG 4.23Å; Q94-Y117 HydrophobicContact CG-CD2 4.07Å; Q94-Y117 HydrophobicContact CG-CG 4.05Å; Q94-Y117 WeakPolarHBondContact O-CE2 3.31Å; C96-Y117 PolarHBondContact O-OH 3.11Å; Q113-Y117 PolarHBondContact O-N 2.75Å; A114-Y117 WeakPolarHBondContact O-CB 3.18Å; A114-Y117 PolarHBondContact O-N 2.82Å; M115-Y117 PolarHBondContact O-N 3.37Å; Y117-I119 VanDerWaalsContact C-N 3.32Å; Y117-I119 PolarHBondContact O-N 3.44Å; Y117-S120 PolarHBondContact O-N 3.2Å; Y117-S120 VanDerWaalsContact O-N 3.1Å; Y117-S120 PolarHBondContact O-OG 3.25Å; Y117-R121 HydrophobicContact CE1-CG 4.46Å; Y117-R121 HydrophobicContact CE2-CG 4.13Å; Y117-R121 WeakPolarHBondContact O-CG 3.26Å; Y117-R121 PolarHBondContact O-N 2.96Å
118	M	96.1	Very high	95.3	Very high	6 Å²	6	73.8 Å²	73.8	3%	0.03	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-38.7	179.2	-71.4	-63.1	-67.6	0	0	112.4	F93 A114 M115 S120 R121 C129 I131 F187 Y189	F93-M118 HydrophobicContact CE1-CG 4.49Å; A114-M118 WeakPolarHBondContact O-CG 3.41Å; A114-M118 PolarHBondContact O-N 3.01Å; M115-M118 PolarHBondContact O-N 3.13Å; M118-S120 VanDerWaalsContact C-N 3.3Å; M118-S120 PolarHBondContact O-N 3.47Å; M118-R121 PolarHBondContact O-N 3.22Å; M118-C129 HydrophobicContact CE-CB 3.96Å; M118-I131 HydrophobicContact CB-CD1 4.27Å; M118-I131 HydrophobicContact CG-CD1 3.72Å; M118-F187 HydrophobicContact CB-CB 4.28Å; M118-F187 HydrophobicContact CB-CD1 3.96Å; M118-F187 HydrophobicContact CB-CD2 4.31Å; M118-F187 HydrophobicContact CB-CE1 4.41Å; M118-F187 HydrophobicContact CB-CG 3.91Å; M118-F187 HydrophobicContact CE-CB 3.87Å; M118-Y189 HydrophobicContact CE-CD1 3.72Å; M118-Y189 HydrophobicContact CE-CE1 3.48Å; M118-Y189 VanDerWaalsContact CE-CE1 3.48Å; M118-Y189 HydrophobicContact CE-CE2 4.4Å; M118-Y189 HydrophobicContact CE-CG 4.28Å; M118-Y189 HydrophobicContact SD-CD1 4.34Å; M118-Y189 HydrophobicContact SD-CE1 3.73Å
119	I	95.2	Very high	95.3	Very high	118 Å²	118	68.8 Å²	68.8	61%	0.605	33%	0.334	S	S	*	.	H	α-helix	trans	-63.3	-36.6	174.2	-67	165.5	0	0	0	111.5	M115 Y117 R121 F187	M115-I119 VanDerWaalsContact O-CG1 3.29Å; M115-I119 WeakPolarHBondContact O-CG1 3.3Å; M115-I119 PolarHBondContact O-N 3.49Å; Y117-I119 VanDerWaalsContact C-N 3.32Å; Y117-I119 PolarHBondContact O-N 3.44Å; I119-R121 PolarHBondContact O-N 3.2Å; I119-F187 HydrophobicContact CD1-CE1 4.17Å; I119-F187 HydrophobicContact CD1-CZ 4.48Å; I119-F187 HydrophobicContact CG1-CD1 4.39Å; I119-F187 HydrophobicContact CG1-CE1 3.55Å; I119-F187 HydrophobicContact CG1-CZ 4.27Å
120	S	93.9	Very high	95.3	Very high	91 Å²	91	63.8 Å²	63.8	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-74.2	-13.5	-179.7	76.5	0	0	0	0	114.1	E116 Y117 M118	E116-S120 WeakPolarHBondContact O-CB 3.34Å; E116-S120 PolarHBondContact O-N 3.04Å; Y117-S120 PolarHBondContact O-N 3.2Å; Y117-S120 VanDerWaalsContact O-N 3.1Å; Y117-S120 PolarHBondContact O-OG 3.25Å; M118-S120 VanDerWaalsContact C-N 3.3Å; M118-S120 PolarHBondContact O-N 3.47Å
121	R	91.4	Very high	95.3	Very high	48 Å²	48	63.8 Å²	63.8	18%	0.181	32%	0.316	C	S	.	.	S	Bend	trans	-78.4	144.4	179	-70.4	177.4	66.1	150.6	-3.6	110.3	C96 T97 Y117 M118 I119	C96-R121 PolarHBondContact O-NH1 3.49Å; T97-R121 PolarHBondContact O-NH2 3.07Å; Y117-R121 HydrophobicContact CE1-CG 4.46Å; Y117-R121 HydrophobicContact CE2-CG 4.13Å; Y117-R121 WeakPolarHBondContact O-CG 3.26Å; Y117-R121 PolarHBondContact O-N 2.96Å; M118-R121 PolarHBondContact O-N 3.22Å; I119-R121 PolarHBondContact O-N 3.2Å
122	E	90	Very high	95.3	Very high	144 Å²	144	63.4 Å²	63.4	67%	0.673	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-68.2	130.1	162.6	-179.5	-177	-152.5	0	0	108.9	K124	E122-K124 HydrophobicContact CG-CG 4.4Å; E122-K124 PolarHBondContact O-N 3.03Å; E122-K124 VanDerWaalsContact OE2-CE 3.26Å; E122-K124 WeakPolarHBondContact OE2-CE 3.18Å; E122-K124 IonicContact OE2-NZ 3.79Å
123	I	89.5	Confident	95.3	Very high	114 Å²	114	60.5 Å²	60.5	59%	0.585	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-70.4	116.7	174.2	-59.1	171.8	0	0	0	108.2	F188	I123-F188 HydrophobicContact CD1-CB 4.45Å; I123-F188 HydrophobicContact CG1-CB 4.46Å; I123-F188 HydrophobicContact CG2-CB 3.86Å
124	K	90.3	Very high	95.2	Very high	157 Å²	157	58.2 Å²	58.2	68%	0.683	29%	0.288	S	S	*	.			trans	-111.8	-8.1	-176.5	-68.9	177.2	-175.3	-174.7	0	113.4	E122 Y189	E122-K124 HydrophobicContact CG-CG 4.4Å; E122-K124 PolarHBondContact O-N 3.03Å; E122-K124 VanDerWaalsContact OE2-CE 3.26Å; E122-K124 WeakPolarHBondContact OE2-CE 3.18Å; E122-K124 IonicContact OE2-NZ 3.79Å; K124-Y189 CarbonylContact C-O 3.52Å; K124-Y189 VanDerWaalsContact N-C 3.29Å; K124-Y189 PolarHBondContact N-O 2.99Å; K124-Y189 PolarHBondContact N-OXT 3.48Å
125	S	91.8	Very high	95.2	Very high	46 Å²	46	62 Å²	62	32%	0.322	31%	0.309	S	S	.	.			trans	-156.9	161.3	-172.5	68.1	0	0	0	0	111.9	H127 Y189	S125-H127 PolarHBondContact O-N 2.97Å; S125-H127 PolarHBondContact OG-N 3.1Å; S125-Y189 CarbonylContact C-O 3.58Å; S125-Y189 WeakPolarHBondContact CA-O 3.39Å; S125-Y189 PolarHBondContact N-O 3.38Å; S125-Y189 VanDerWaalsContact OG-CB 3.3Å; S125-Y189 WeakPolarHBondContact OG-CB 3.45Å; S125-Y189 PolarHBondContact OG-O 2.93Å
126	E	91.6	Very high	95.2	Very high	186 Å²	186	60.6 Å²	60.6	87%	0.869	30%	0.302	S	S	*	.	S	Bend	trans	-85.1	9.6	171.7	-60.1	-179	155.8	0	0	112.1	I128	E126-I128 PolarHBondContact O-N 3.25Å
127	H	94.3	Very high	95.2	Very high	66 Å²	66	60.4 Å²	60.4	31%	0.306	30%	0.3	S	S	.	.			trans	-72.2	120.7	179.9	-170.2	89.8	0	0	0	110.2	D101 S125 Y189	D101-H127 IonicContact OD1-CE1 2.97Å; D101-H127 PolarHBondContact OD1-CE1 2.89Å; D101-H127 IonicContact OD1-NE2 3.98Å; D101-H127 PolarHBondContact OD1-NE2 3.4Å; S125-H127 PolarHBondContact O-N 2.97Å; S125-H127 PolarHBondContact OG-N 3.1Å; H127-Y189 AromaticContact CD2-CD2 3.77Å; H127-Y189 PolarHBondContact O-N 3.14Å
128	I	96.6	Very high	95.1	Very high	38 Å²	38	63.2 Å²	63.2	20%	0.195	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.6	178.3	-60.7	175.7	0	0	0	110	E126 P186 F187 F188	E126-I128 PolarHBondContact O-N 3.25Å; I128-P186 HydrophobicContact CG2-CB 3.87Å; I128-F187 CarbonylContact C-O 3.51Å; I128-F187 WeakPolarHBondContact CA-O 3.28Å; I128-F188 HydrophobicContact CD1-CE1 3.86Å; I128-F188 HydrophobicContact CD1-CZ 4.26Å; I128-F188 HydrophobicContact CG1-CD1 3.78Å; I128-F188 HydrophobicContact CG1-CE1 3.43Å; I128-F188 VanDerWaalsContact CG1-CE1 3.43Å; I128-F188 HydrophobicContact CG1-CZ 4.19Å
129	C	97.6	Very high	95.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.3	170.7	-179.9	0	0	0	0	109	V103 M118 P186 F187 Y189	V103-C129 WeakPolarHBondContact CG2-SG 3.33Å; M118-C129 HydrophobicContact CE-CB 3.96Å; C129-P186 CarbonylContact O-C 3.58Å; C129-P186 WeakPolarHBondContact O-CA 3.33Å; C129-F187 PolarHBondContact N-O 2.93Å; C129-F187 PolarHBondContact O-N 2.68Å; C129-Y189 HydrophobicContact CB-CD2 3.96Å; C129-Y189 HydrophobicContact CB-CE2 3.43Å; C129-Y189 VanDerWaalsContact CB-CE2 3.43Å
130	H	98.5	Very high	95.1	Very high	5 Å²	5	63.7 Å²	63.7	2%	0.023	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.9	172.8	-64.4	-86.7	0	0	0	109.8	D101 V102 V103 N164 I167 H184	D101-H130 PolarHBondContact O-N 3.04Å; V102-H130 CarbonylContact C-O 3.42Å; V102-H130 VanDerWaalsContact CA-O 3.28Å; V102-H130 WeakPolarHBondContact CA-O 3.5Å; V102-H130 HydrophobicContact CG2-CB 4.42Å; V103-H130 PolarHBondContact N-O 2.86Å; H130-N164 PolarHBondContact NE2-OD1 3.44Å; H130-I167 HydrophobicContact CB-CD1 3.55Å; H130-I167 VanDerWaalsContact CG-CD1 3.44Å; H130-H184 AromaticContact CE1-NE2 3.96Å; H130-H184 AromaticContact CG-NE2 3.71Å; H130-H184 AromaticContact ND1-CE1 3.65Å; H130-H184 AromaticContact ND1-NE2 2.9Å; H130-H184 PolarHBondContact ND1-NE2 3.39Å
131	I	98.5	Very high	95.3	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.5	169.9	-48.5	-178.4	0	0	0	107.3	V103 F111 A114 M115 M118 H184 V185 F187	V103-I131 HydrophobicContact CB-CG1 4.27Å; V103-I131 HydrophobicContact CB-CG2 4.31Å; V103-I131 HydrophobicContact CG1-CG2 4.34Å; V103-I131 CarbonylContact O-C 3.53Å; V103-I131 WeakPolarHBondContact O-CA 3.44Å; F111-I131 HydrophobicContact CD2-CG2 3.59Å; F111-I131 HydrophobicContact CE2-CB 4.07Å; F111-I131 HydrophobicContact CE2-CG2 3.62Å; F111-I131 WeakPolarHBondContact CE2-O 3.49Å; A114-I131 HydrophobicContact CB-CD1 4.42Å; A114-I131 HydrophobicContact CB-CG2 4.41Å; M115-I131 HydrophobicContact CG-CD1 4.18Å; M118-I131 HydrophobicContact CB-CD1 4.27Å; M118-I131 HydrophobicContact CG-CD1 3.72Å; I131-H184 WeakPolarHBondContact O-CA 3.32Å; I131-V185 PolarHBondContact N-O 3.38Å; I131-V185 PolarHBondContact O-N 3.4Å; I131-F187 HydrophobicContact CD1-CD2 3.49Å; I131-F187 VanDerWaalsContact CD1-CD2 3.49Å; I131-F187 HydrophobicContact CD1-CE2 3.53Å; I131-F187 HydrophobicContact CD1-CG 4.48Å; I131-F187 HydrophobicContact CG1-CD2 3.8Å; I131-F187 HydrophobicContact CG1-CE2 4.12Å
132	I	98.5	Very high	95.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.5	173.2	66.9	173.5	0	0	0	111.3	V102 V103 I104 C105 I134 I153 L171 I182 L183 H184	V102-I132 HydrophobicContact CG1-CD1 4.28Å; V102-I132 HydrophobicContact CG1-CG1 4.31Å; V103-I132 PolarHBondContact O-N 2.92Å; I104-I132 HydrophobicContact CB-CG1 4.21Å; I104-I132 HydrophobicContact CD1-CD1 4.34Å; I104-I132 HydrophobicContact CG1-CD1 3.93Å; I104-I132 HydrophobicContact CG1-CG1 3.92Å; I104-I132 HydrophobicContact CG2-CD1 4.33Å; I104-I132 HydrophobicContact CG2-CG1 4.14Å; C105-I132 PolarHBondContact N-O 2.98Å; I132-I134 HydrophobicContact CD1-CD1 4.38Å; I132-I153 HydrophobicContact CD1-CD1 4.32Å; I132-L171 HydrophobicContact CD1-CD2 4.33Å; I132-L171 HydrophobicContact CG2-CD1 3.85Å; I132-L171 HydrophobicContact CG2-CD2 4.29Å; I132-I182 HydrophobicContact CB-CG2 4.26Å; I132-L183 CarbonylContact C-O 3.48Å; I132-L183 WeakPolarHBondContact CA-O 3.07Å; I132-H184 HydrophobicContact CG2-CB 4.14Å
133	N	98.6	Very high	96	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.1	170.9	-173.9	59.7	0	0	0	111	C105 E107 E108 F111 D135 I182 L183	C105-N133 PolarHBondContact O-OD1 3.05Å; E107-N133 WeakPolarHBondContact CA-OD1 3.21Å; E107-N133 PolarHBondContact N-OD1 3.17Å; E107-N133 PolarHBondContact O-OD1 3.34Å; E108-N133 PolarHBondContact N-OD1 3.12Å; F111-N133 HydrophobicContact CB-CB 3.94Å; F111-N133 HydrophobicContact CD2-CB 3.72Å; F111-N133 HydrophobicContact CE2-CB 4.33Å; F111-N133 HydrophobicContact CG-CB 3.85Å; N133-D135 PolarHBondContact ND2-OD1 2.91Å; N133-I182 WeakPolarHBondContact O-CA 3.15Å; N133-L183 HydrophobicContact CB-CB 3.81Å; N133-L183 HydrophobicContact CB-CD1 4.14Å; N133-L183 HydrophobicContact CB-CG 4.1Å; N133-L183 PolarHBondContact N-O 3.17Å; N133-L183 PolarHBondContact O-N 3.31Å
134	I	97.5	Very high	96.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	111.2	167.3	-55.8	176	0	0	0	106.8	I104 C105 C106 I132 I136 M149 I153 F174	I104-I134 HydrophobicContact CG2-CD1 4.16Å; I104-I134 HydrophobicContact CG2-CG1 4.37Å; C105-I134 PolarHBondContact O-N 3.45Å; C106-I134 CarbonylContact C-O 3.36Å; C106-I134 VanDerWaalsContact CA-O 3.31Å; C106-I134 WeakPolarHBondContact CA-O 3.41Å; I132-I134 HydrophobicContact CD1-CD1 4.38Å; I134-I136 HydrophobicContact CG2-CD1 3.93Å; I134-I136 PolarHBondContact O-N 2.95Å; I134-I136 VanDerWaalsContact O-N 3.15Å; I134-M149 HydrophobicContact CG2-CE 4.39Å; I134-I153 HydrophobicContact CD1-CD1 4.47Å; I134-I153 HydrophobicContact CD1-CG2 4.14Å; I134-F174 HydrophobicContact CD1-CE1 4.23Å
135	D	97.3	Very high	96.7	Very high	81 Å²	81	52.3 Å²	52.3	43%	0.433	26%	0.264	S	S	.	.			trans	-67.4	114.6	-178.2	-84.7	-3	0	0	0	111.4	E107 E108 N133 R180	E107-D135 VanDerWaalsContact CA-OD1 3.31Å; E107-D135 WeakPolarHBondContact CA-OD1 3.36Å; E108-D135 PolarHBondContact N-OD1 3.27Å; N133-D135 PolarHBondContact ND2-OD1 2.91Å; D135-R180 PolarHBondContact O-NH1 3.04Å
136	I	97.7	Very high	97	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.041	25%	0.249	C	C	.	.			trans	-120.2	126.5	175.7	-55.1	-55.2	0	0	0	108.8	R13 C106 I134 E142 G146 M150	R13-I136 WeakPolarHBondContact CD-O 3.46Å; R13-I136 HydrophobicContact CG-CB 4.38Å; R13-I136 HydrophobicContact CG-CG2 3.9Å; R13-I136 PolarHBondContact NH1-O 3.43Å; C106-I136 HydrophobicContact CB-CB 4.41Å; C106-I136 PolarHBondContact O-N 3.1Å; I134-I136 HydrophobicContact CG2-CD1 3.93Å; I134-I136 PolarHBondContact O-N 2.95Å; I134-I136 VanDerWaalsContact O-N 3.15Å; I136-E142 HydrophobicContact CG2-CB 4.41Å; I136-E142 VanDerWaalsContact CG2-O 3.24Å; I136-E142 WeakPolarHBondContact CG2-O 3.24Å; I136-G146 VanDerWaalsContact CD1-CA 3.41Å; I136-M150 HydrophobicContact CG1-CE 3.99Å
137	Q	96.8	Very high	97.3	Very high	125 Å²	125	41.4 Å²	41.4	58%	0.584	21%	0.208	S	C	*	.			trans	-68.4	146.1	176.3	-56.8	-172.6	9	0	0	111.2	N139 E142	Q137-N139 VanDerWaalsContact C-N 3.27Å; Q137-N139 PolarHBondContact O-N 3.34Å; Q137-E142 HydrophobicContact CB-CB 3.97Å; Q137-E142 HydrophobicContact CB-CG 3.95Å; Q137-E142 HydrophobicContact CG-CG 4.44Å; Q137-E142 WeakPolarHBondContact O-CB 3.3Å
138	D	95.5	Very high	97.5	Very high	90 Å²	90	43.8 Å²	43.8	48%	0.481	22%	0.218	S	C	.	.	S	Bend	trans	-87.7	58.8	-172	-152	2.3	0	0	0	113.5	N12 R13	N12-D138 WeakPolarHBondContact CB-OD1 3.2Å; N12-D138 PolarHBondContact ND2-OD1 2.87Å; R13-D138 IonicContact CZ-OD2 2.68Å; R13-D138 IonicContact NE-OD1 2.7Å; R13-D138 PolarHBondContact NE-OD1 3.26Å; R13-D138 IonicContact NE-OD2 3.28Å; R13-D138 IonicContact NH2-OD2 2.96Å; R13-D138 PolarHBondContact NH2-OD2 3.37Å
139	N	96.1	Very high	97.5	Very high	58 Å²	58	43.8 Å²	43.8	31%	0.31	22%	0.218	S	C	.	.	S	Bend	trans	-128.8	167.7	169.8	71	63.9	0	0	0	110.2	N12 Q137 E141 E142 A143	N12-N139 VanDerWaalsContact ND2-C 3.26Å; N12-N139 PolarHBondContact ND2-O 3.45Å; Q137-N139 VanDerWaalsContact C-N 3.27Å; Q137-N139 PolarHBondContact O-N 3.34Å; N139-E141 PolarHBondContact O-N 3.07Å; N139-E141 PolarHBondContact OD1-N 2.54Å; N139-E141 VanDerWaalsContact OD1-N 3.12Å; N139-E142 VanDerWaalsContact ND2-CG 3.34Å; N139-E142 WeakPolarHBondContact ND2-CG 3.48Å; N139-E142 WeakPolarHBondContact OD1-CB 3.21Å; N139-E142 PolarHBondContact OD1-N 3.43Å; N139-A143 WeakPolarHBondContact O-CB 3.27Å; N139-A143 PolarHBondContact O-N 2.77Å
140	H	95.2	Very high	97.5	Very high	75 Å²	75	43.9 Å²	43.9	35%	0.347	22%	0.218	S	C	.	.	H	α-helix	trans	-66.8	-37.3	-172.7	-63	-61.5	0	0	0	113.3	N74 T144	N74-H140 PolarHBondContact O-NE2 2.7Å; H140-T144 PolarHBondContact O-N 3.35Å; H140-T144 PolarHBondContact O-OG1 3.23Å
141	E	97.5	Very high	97.5	Very high	141 Å²	141	44.4 Å²	44.4	66%	0.659	22%	0.222	S	C	*	.	H	α-helix	trans	-68	-53	-179.4	-178.4	174.9	-172.1	0	0	110.6	N139 A143 T144 L145	N139-E141 PolarHBondContact O-N 3.07Å; N139-E141 PolarHBondContact OD1-N 2.54Å; N139-E141 VanDerWaalsContact OD1-N 3.12Å; E141-A143 VanDerWaalsContact C-N 3.31Å; E141-A143 PolarHBondContact O-N 2.85Å; E141-T144 WeakPolarHBondContact O-CB 3.34Å; E141-T144 PolarHBondContact O-N 3.2Å; E141-L145 HydrophobicContact CG-CD1 4.39Å; E141-L145 PolarHBondContact O-N 3.17Å
142	E	97.9	Very high	97.4	Very high	37 Å²	37	46.1 Å²	46.1	17%	0.173	23%	0.231	C	C	.	.	H	α-helix	trans	-65.5	-33.5	179.4	-71.7	-70.2	132.1	0	0	112.1	I136 Q137 N139 T144 L145 G146 R180	I136-E142 HydrophobicContact CG2-CB 4.41Å; I136-E142 VanDerWaalsContact CG2-O 3.24Å; I136-E142 WeakPolarHBondContact CG2-O 3.24Å; Q137-E142 HydrophobicContact CB-CB 3.97Å; Q137-E142 HydrophobicContact CB-CG 3.95Å; Q137-E142 HydrophobicContact CG-CG 4.44Å; Q137-E142 WeakPolarHBondContact O-CB 3.3Å; N139-E142 VanDerWaalsContact ND2-CG 3.34Å; N139-E142 WeakPolarHBondContact ND2-CG 3.48Å; N139-E142 WeakPolarHBondContact OD1-CB 3.21Å; N139-E142 PolarHBondContact OD1-N 3.43Å; E142-T144 VanDerWaalsContact C-N 3.3Å; E142-T144 PolarHBondContact O-N 3.49Å; E142-L145 PolarHBondContact O-N 2.91Å; E142-G146 WeakPolarHBondContact O-CA 3.44Å; E142-G146 PolarHBondContact O-N 3.33Å; E142-R180 IonicContact OE2-NH2 2.63Å
143	A	98.3	Very high	97.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-37.9	172.4	0	0	0	0	0	112.4	N12 R13 E16 N139 E141 A147	N12-A143 VanDerWaalsContact OD1-CB 3.3Å; N12-A143 WeakPolarHBondContact OD1-CB 3.43Å; R13-A143 HydrophobicContact CG-CB 4.13Å; E16-A143 HydrophobicContact CB-CB 4.23Å; E16-A143 HydrophobicContact CG-CB 4.43Å; N139-A143 WeakPolarHBondContact O-CB 3.27Å; N139-A143 PolarHBondContact O-N 2.77Å; E141-A143 VanDerWaalsContact C-N 3.31Å; E141-A143 PolarHBondContact O-N 2.85Å; A143-A147 WeakPolarHBondContact O-CB 3.34Å; A143-A147 PolarHBondContact O-N 2.9Å
144	T	98.2	Very high	97.4	Very high	50 Å²	50	45.9 Å²	45.9	31%	0.307	23%	0.23	S	C	.	.	H	α-helix	trans	-71	-47	178.1	-56	0	0	0	0	111	H140 E141 E142 G146 A147 F148	H140-T144 PolarHBondContact O-N 3.35Å; H140-T144 PolarHBondContact O-OG1 3.23Å; E141-T144 WeakPolarHBondContact O-CB 3.34Å; E141-T144 PolarHBondContact O-N 3.2Å; E142-T144 VanDerWaalsContact C-N 3.3Å; E142-T144 PolarHBondContact O-N 3.49Å; T144-G146 VanDerWaalsContact C-N 3.34Å; T144-G146 PolarHBondContact O-N 3.04Å; T144-A147 PolarHBondContact O-N 3.25Å; T144-F148 HydrophobicContact CG2-CD2 4.19Å; T144-F148 HydrophobicContact CG2-CE2 3.79Å; T144-F148 WeakPolarHBondContact O-CD2 3.48Å; T144-F148 PolarHBondContact O-N 2.95Å; T144-F148 VanDerWaalsContact O-N 3.17Å
145	L	97.6	Very high	97.4	Very high	87 Å²	87	52 Å²	52	46%	0.455	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-45.5	175.2	-67	176.2	0	0	0	111.2	E141 E142 A147 F148 M149	E141-L145 HydrophobicContact CG-CD1 4.39Å; E141-L145 PolarHBondContact O-N 3.17Å; E142-L145 PolarHBondContact O-N 2.91Å; L145-A147 VanDerWaalsContact C-N 3.32Å; L145-A147 PolarHBondContact O-N 2.97Å; L145-F148 PolarHBondContact O-N 3.41Å; L145-M149 WeakPolarHBondContact O-CG 3.49Å; L145-M149 PolarHBondContact O-N 2.79Å
146	G	97.8	Very high	97.4	Very high	2 Å²	2	50 Å²	50	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-40.1	175.7	0	0	0	0	0	112.9	I136 E142 T144 F148 M149 M150	I136-G146 VanDerWaalsContact CD1-CA 3.41Å; E142-G146 WeakPolarHBondContact O-CA 3.44Å; E142-G146 PolarHBondContact O-N 3.33Å; T144-G146 VanDerWaalsContact C-N 3.34Å; T144-G146 PolarHBondContact O-N 3.04Å; G146-F148 PolarHBondContact O-N 3.48Å; G146-M149 WeakPolarHBondContact O-CB 3.46Å; G146-M149 PolarHBondContact O-N 2.87Å; G146-M150 WeakPolarHBondContact O-CB 3.25Å; G146-M150 VanDerWaalsContact O-CG 3.25Å; G146-M150 WeakPolarHBondContact O-CG 3.45Å; G146-M150 PolarHBondContact O-N 3.44Å
147	A	98.3	Very high	97.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-40.2	175.7	0	0	0	0	0	112.8	E16 A17 I20 A143 T144 L145 M150 C151	E16-A147 HydrophobicContact CG-CB 4.17Å; A17-A147 HydrophobicContact CB-CB 4.24Å; I20-A147 HydrophobicContact CB-CB 4.28Å; I20-A147 HydrophobicContact CD1-CB 3.52Å; I20-A147 HydrophobicContact CG1-CB 4.32Å; A143-A147 WeakPolarHBondContact O-CB 3.34Å; A143-A147 PolarHBondContact O-N 2.9Å; T144-A147 PolarHBondContact O-N 3.25Å; L145-A147 VanDerWaalsContact C-N 3.32Å; L145-A147 PolarHBondContact O-N 2.97Å; A147-M150 PolarHBondContact O-N 3.26Å; A147-C151 PolarHBondContact O-N 3.38Å; A147-C151 PolarHBondContact O-SG 2.99Å; A147-C151 VanDerWaalsContact O-SG 3.35Å
148	F	97.7	Very high	97.5	Very high	115 Å²	115	47.8 Å²	47.8	50%	0.504	23%	0.231	S	C	.	.	H	α-helix	trans	-66.8	-38.2	173.9	-75	-63.9	0	0	0	112.6	I20 T144 L145 G146 M150 C151 D152	I20-F148 HydrophobicContact CD1-CE2 4.41Å; I20-F148 HydrophobicContact CD1-CZ 4.38Å; I20-F148 HydrophobicContact CG2-CD1 4.4Å; I20-F148 HydrophobicContact CG2-CE1 4.26Å; T144-F148 HydrophobicContact CG2-CD2 4.19Å; T144-F148 HydrophobicContact CG2-CE2 3.79Å; T144-F148 WeakPolarHBondContact O-CD2 3.48Å; T144-F148 PolarHBondContact O-N 2.95Å; T144-F148 VanDerWaalsContact O-N 3.17Å; L145-F148 PolarHBondContact O-N 3.41Å; G146-F148 PolarHBondContact O-N 3.48Å; F148-M150 VanDerWaalsContact C-N 3.34Å; F148-C151 WeakPolarHBondContact O-CB 3.24Å; F148-C151 PolarHBondContact O-N 3Å; F148-D152 PolarHBondContact O-N 3.49Å; F148-D152 VanDerWaalsContact O-N 3.11Å
149	M	96.7	Very high	97.5	Very high	39 Å²	39	49.7 Å²	49.7	19%	0.192	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-45.4	171.8	-73.2	-177.8	61	0	0	111.4	I134 L145 G146 C151 D152 I153 F174	I134-M149 HydrophobicContact CG2-CE 4.39Å; L145-M149 WeakPolarHBondContact O-CG 3.49Å; L145-M149 PolarHBondContact O-N 2.79Å; G146-M149 WeakPolarHBondContact O-CB 3.46Å; G146-M149 PolarHBondContact O-N 2.87Å; M149-C151 VanDerWaalsContact C-N 3.31Å; M149-C151 PolarHBondContact O-N 3.49Å; M149-D152 PolarHBondContact O-N 2.99Å; M149-D152 VanDerWaalsContact O-N 3.12Å; M149-I153 PolarHBondContact O-N 3.44Å; M149-I153 VanDerWaalsContact O-N 3.12Å; M149-F174 HydrophobicContact CB-CZ 4.16Å; M149-F174 HydrophobicContact CE-CE1 4.03Å; M149-F174 HydrophobicContact CE-CZ 3.95Å
150	M	98	Very high	97.6	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-38.3	175.5	-70.9	177.8	-173	0	0	111.9	V5 A17 I104 I136 G146 A147 F148 D152 I153 C154	V5-M150 HydrophobicContact CG1-CE 4.1Å; V5-M150 HydrophobicContact CG1-SD 3.68Å; V5-M150 HydrophobicContact CG2-SD 4.34Å; A17-M150 HydrophobicContact CB-SD 3.56Å; A17-M150 VanDerWaalsContact CB-SD 3.56Å; I104-M150 HydrophobicContact CD1-CG 4.43Å; I104-M150 HydrophobicContact CG2-CE 3.8Å; I104-M150 HydrophobicContact CG2-CG 4.16Å; I104-M150 HydrophobicContact CG2-SD 4.1Å; I136-M150 HydrophobicContact CG1-CE 3.99Å; G146-M150 WeakPolarHBondContact O-CB 3.25Å; G146-M150 VanDerWaalsContact O-CG 3.25Å; G146-M150 WeakPolarHBondContact O-CG 3.45Å; G146-M150 PolarHBondContact O-N 3.44Å; A147-M150 PolarHBondContact O-N 3.26Å; F148-M150 VanDerWaalsContact C-N 3.34Å; M150-D152 VanDerWaalsContact C-N 3.35Å; M150-D152 PolarHBondContact O-N 3.07Å; M150-I153 VanDerWaalsContact O-CG2 3.32Å; M150-I153 WeakPolarHBondContact O-CG2 3.27Å; M150-C154 VanDerWaalsContact O-CB 3.3Å; M150-C154 WeakPolarHBondContact O-CB 3.47Å; M150-C154 PolarHBondContact O-N 3.22Å; M150-C154 PolarHBondContact O-SG 3.42Å
151	C	97.9	Very high	97.5	Very high	15 Å²	15	56.6 Å²	56.6	10%	0.101	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-40.9	172.8	-70.4	0	0	0	0	113.1	I20 L21 A147 F148 M149 R155	I20-C151 VanDerWaalsContact CG2-SG 3.53Å; L21-C151 HydrophobicContact CD2-CB 4.36Å; A147-C151 PolarHBondContact O-N 3.38Å; A147-C151 PolarHBondContact O-SG 2.99Å; A147-C151 VanDerWaalsContact O-SG 3.35Å; F148-C151 WeakPolarHBondContact O-CB 3.24Å; F148-C151 PolarHBondContact O-N 3Å; M149-C151 VanDerWaalsContact C-N 3.31Å; M149-C151 PolarHBondContact O-N 3.49Å; C151-R155 WeakPolarHBondContact O-CB 3.35Å; C151-R155 PolarHBondContact O-N 2.94Å
152	D	96.9	Very high	97.4	Very high	36 Å²	36	52.8 Å²	52.8	19%	0.193	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-43.6	-179.5	-172	44.5	0	0	0	111.5	F148 M149 M150 Q156 F174 K177	F148-D152 PolarHBondContact O-N 3.49Å; F148-D152 VanDerWaalsContact O-N 3.11Å; M149-D152 PolarHBondContact O-N 2.99Å; M149-D152 VanDerWaalsContact O-N 3.12Å; M150-D152 VanDerWaalsContact C-N 3.35Å; M150-D152 PolarHBondContact O-N 3.07Å; D152-Q156 WeakPolarHBondContact O-CG 3.07Å; D152-Q156 PolarHBondContact O-N 2.9Å; D152-Q156 VanDerWaalsContact O-N 3.15Å; D152-Q156 PolarHBondContact O-NE2 3.17Å; D152-Q156 PolarHBondContact OD2-NE2 3.38Å; D152-F174 HydrophobicContact CB-CE2 4.31Å; D152-K177 IonicContact OD1-NZ 3.39Å; D152-K177 IonicContact OD2-NZ 3.74Å; D152-K177 PolarHBondContact OD2-NZ 3.16Å
153	I	97.6	Very high	97.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71.2	-42	177.1	-165.5	152.6	0	0	0	112.2	I104 I132 I134 M149 M150 R155 Q156 L157 L171 F174 I182	I104-I153 HydrophobicContact CD1-CG2 4.46Å; I132-I153 HydrophobicContact CD1-CD1 4.32Å; I134-I153 HydrophobicContact CD1-CD1 4.47Å; I134-I153 HydrophobicContact CD1-CG2 4.14Å; M149-I153 PolarHBondContact O-N 3.44Å; M149-I153 VanDerWaalsContact O-N 3.12Å; M150-I153 VanDerWaalsContact O-CG2 3.32Å; M150-I153 WeakPolarHBondContact O-CG2 3.27Å; I153-R155 VanDerWaalsContact C-N 3.25Å; I153-R155 PolarHBondContact O-N 3Å; I153-Q156 PolarHBondContact O-N 3.28Å; I153-L157 HydrophobicContact CG1-CD1 4.08Å; I153-L157 HydrophobicContact CG1-CG 4.28Å; I153-L157 VanDerWaalsContact O-CG 3.29Å; I153-L157 WeakPolarHBondContact O-CG 3.32Å; I153-L157 PolarHBondContact O-N 3.43Å; I153-L171 HydrophobicContact CD1-CD2 3.49Å; I153-L171 VanDerWaalsContact CD1-CD2 3.49Å; I153-L171 HydrophobicContact CG1-CD2 4.33Å; I153-F174 HydrophobicContact CB-CD2 3.78Å; I153-F174 HydrophobicContact CB-CE2 3.7Å; I153-F174 HydrophobicContact CB-CG 4.33Å; I153-F174 HydrophobicContact CB-CZ 4.15Å; I153-F174 HydrophobicContact CD1-CB 3.91Å; I153-F174 HydrophobicContact CD1-CD1 3.75Å; I153-F174 HydrophobicContact CD1-CD2 3.92Å; I153-F174 HydrophobicContact CD1-CE1 4.18Å; I153-F174 HydrophobicContact CD1-CE2 4.36Å; I153-F174 HydrophobicContact CD1-CG 3.57Å; I153-F174 HydrophobicContact CD1-CZ 4.46Å; I153-F174 HydrophobicContact CG1-CD2 4.15Å; I153-F174 HydrophobicContact CG1-CG 4.29Å; I153-F174 HydrophobicContact CG2-CE2 4.49Å; I153-I182 HydrophobicContact CD1-CD1 4.14Å
154	C	98.4	Very high	97.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-40.2	175	-69.9	0	0	0	0	111.7	F3 L21 F26 M150 L157 E158	F3-C154 HydrophobicContact CD1-CB 4.43Å; F3-C154 VanDerWaalsContact CD1-SG 3.55Å; F3-C154 HydrophobicContact CE1-CB 3.91Å; F3-C154 VanDerWaalsContact CE1-SG 3.55Å; F3-C154 HydrophobicContact CE2-CB 4.26Å; F3-C154 HydrophobicContact CZ-CB 3.8Å; L21-C154 HydrophobicContact CD2-CB 3.96Å; F26-C154 HydrophobicContact CD1-CB 3.93Å; F26-C154 HydrophobicContact CE1-CB 3.55Å; F26-C154 HydrophobicContact CE2-CB 4.35Å; F26-C154 HydrophobicContact CG-CB 4.47Å; F26-C154 HydrophobicContact CZ-CB 3.78Å; M150-C154 VanDerWaalsContact O-CB 3.3Å; M150-C154 WeakPolarHBondContact O-CB 3.47Å; M150-C154 PolarHBondContact O-N 3.22Å; M150-C154 PolarHBondContact O-SG 3.42Å; C154-L157 PolarHBondContact O-N 3.44Å; C154-E158 PolarHBondContact O-N 3.39Å
155	R	97.9	Very high	97.2	Very high	128 Å²	128	58.8 Å²	58.8	48%	0.483	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-42.6	175.5	-169.9	-173.5	71.9	80.8	3.1	111.8	F26 C151 I153 E158 M159	F26-R155 HydrophobicContact CZ-CB 4.08Å; C151-R155 WeakPolarHBondContact O-CB 3.35Å; C151-R155 PolarHBondContact O-N 2.94Å; I153-R155 VanDerWaalsContact C-N 3.25Å; I153-R155 PolarHBondContact O-N 3Å; R155-E158 PolarHBondContact O-N 3Å; R155-M159 PolarHBondContact NH1-SD 3.28Å; R155-M159 VanDerWaalsContact O-CG 3.31Å; R155-M159 WeakPolarHBondContact O-CG 3.46Å; R155-M159 PolarHBondContact O-N 3.43Å
156	Q	97.8	Very high	97.2	Very high	40 Å²	40	57.1 Å²	57.1	19%	0.187	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-40.3	178.5	-70.7	175.7	73.3	0	0	111.5	D152 I153 M159 C160 V170	D152-Q156 WeakPolarHBondContact O-CG 3.07Å; D152-Q156 PolarHBondContact O-N 2.9Å; D152-Q156 VanDerWaalsContact O-N 3.15Å; D152-Q156 PolarHBondContact O-NE2 3.17Å; D152-Q156 PolarHBondContact OD2-NE2 3.38Å; I153-Q156 PolarHBondContact O-N 3.28Å; Q156-M159 WeakPolarHBondContact O-CB 3.22Å; Q156-M159 PolarHBondContact O-N 3.06Å; Q156-M159 VanDerWaalsContact O-N 3.12Å; Q156-C160 PolarHBondContact O-N 2.87Å; Q156-V170 HydrophobicContact CB-CG1 3.63Å
157	L	98.2	Very high	97.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-39.7	176.4	-63.8	170.2	0	0	0	111.9	M1 F3 V102 I153 C154 M159 C160 L163 I167 V170	M1-L157 HydrophobicContact CE-CB 4.46Å; M1-L157 WeakPolarHBondContact CE-O 3.42Å; M1-L157 HydrophobicContact SD-CB 4.03Å; F3-L157 HydrophobicContact CE1-CD1 4.37Å; V102-L157 HydrophobicContact CG1-CD1 4.14Å; V102-L157 HydrophobicContact CG2-CD1 4.14Å; I153-L157 HydrophobicContact CG1-CD1 4.08Å; I153-L157 HydrophobicContact CG1-CG 4.28Å; I153-L157 VanDerWaalsContact O-CG 3.29Å; I153-L157 WeakPolarHBondContact O-CG 3.32Å; I153-L157 PolarHBondContact O-N 3.43Å; C154-L157 PolarHBondContact O-N 3.44Å; L157-M159 PolarHBondContact O-N 2.96Å; L157-C160 VanDerWaalsContact O-CB 3.26Å; L157-C160 WeakPolarHBondContact O-CB 3.27Å; L157-C160 PolarHBondContact O-N 2.68Å; L157-C160 VanDerWaalsContact O-N 3.14Å; L157-C160 PolarHBondContact O-SG 3.23Å; L157-C160 VanDerWaalsContact O-SG 3.42Å; L157-L163 HydrophobicContact CB-CD1 4.18Å; L157-L163 HydrophobicContact CD2-CD1 3.78Å; L157-L163 HydrophobicContact CG-CD1 4.5Å; L157-I167 HydrophobicContact CD2-CD1 4.15Å; L157-I167 HydrophobicContact CD2-CG1 3.83Å; L157-V170 HydrophobicContact CD2-CB 4.24Å; L157-V170 HydrophobicContact CD2-CG1 3.85Å; L157-V170 HydrophobicContact CG-CG1 4.32Å
158	E	97.2	Very high	97.2	Very high	86 Å²	86	61.8 Å²	61.8	40%	0.402	29%	0.289	S	S	.	.	H	α-helix	trans	-67.5	-17.4	173.8	-73.7	-164.3	148	0	0	114.2	M1 F3 F26 C154 R155	M1-E158 HydrophobicContact CB-CG 3.9Å; M1-E158 HydrophobicContact SD-CG 4.33Å; F3-E158 HydrophobicContact CE2-CG 4.1Å; F3-E158 HydrophobicContact CZ-CG 4.02Å; F26-E158 HydrophobicContact CD1-CG 4.5Å; F26-E158 HydrophobicContact CE1-CG 4.21Å; F26-E158 VanDerWaalsContact CE1-OE2 3.24Å; F26-E158 WeakPolarHBondContact CE1-OE2 3.38Å; C154-E158 PolarHBondContact O-N 3.39Å; R155-E158 PolarHBondContact O-N 3Å
159	M	96.5	Very high	97.1	Very high	131 Å²	131	62.2 Å²	62.2	65%	0.645	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.1	174.3	-70.1	177.5	66	0	0	113.4	R155 Q156 L157	R155-M159 PolarHBondContact NH1-SD 3.28Å; R155-M159 VanDerWaalsContact O-CG 3.31Å; R155-M159 WeakPolarHBondContact O-CG 3.46Å; R155-M159 PolarHBondContact O-N 3.43Å; Q156-M159 WeakPolarHBondContact O-CB 3.22Å; Q156-M159 PolarHBondContact O-N 3.06Å; Q156-M159 VanDerWaalsContact O-N 3.12Å; L157-M159 PolarHBondContact O-N 2.96Å
160	C	97.3	Very high	97.2	Very high	26 Å²	26	61.4 Å²	61.4	18%	0.176	29%	0.293	C	S	.	.			trans	-63.1	139.9	176.2	-63.8	0	0	0	0	110.3	Q156 L157 D166	Q156-C160 PolarHBondContact O-N 2.87Å; L157-C160 VanDerWaalsContact O-CB 3.26Å; L157-C160 WeakPolarHBondContact O-CB 3.27Å; L157-C160 PolarHBondContact O-N 2.68Å; L157-C160 VanDerWaalsContact O-N 3.14Å; L157-C160 PolarHBondContact O-SG 3.23Å; L157-C160 VanDerWaalsContact O-SG 3.42Å; C160-D166 HydrophobicContact CB-CB 3.83Å; C160-D166 WeakPolarHBondContact CB-OD2 3.08Å
161	R	94.1	Very high	97.2	Very high	252 Å²	252	61.6 Å²	61.6	95%	0.951	29%	0.294	S	S	*	.	S	Bend	trans	-79	-40	173	-70.4	-177.9	-179.9	174.9	1.5	110.1	D166	R161-D166 PolarHBondContact N-OD2 3.07Å
162	N	96.1	Very high	97.1	Very high	61 Å²	61	64.3 Å²	64.3	33%	0.326	31%	0.314	S	S	.	.	S	Bend	trans	-131.2	105	169.8	-176.1	-9	0	0	0	108.1	N164 D165 D166	N162-N164 PolarHBondContact O-N 2.93Å; N162-N164 PolarHBondContact OD1-N 3.41Å; N162-N164 VanDerWaalsContact OD1-N 3.11Å; N162-D165 HydrophobicContact CB-CB 4.13Å; N162-D165 PolarHBondContact ND2-OD1 3.26Å; N162-D165 PolarHBondContact ND2-OD2 2.94Å; N162-D165 PolarHBondContact O-N 2.98Å; N162-D165 VanDerWaalsContact O-N 3.16Å; N162-D166 PolarHBondContact N-OD2 3.22Å; N162-D166 VanDerWaalsContact O-CB 3.25Å; N162-D166 WeakPolarHBondContact O-CB 3.42Å; N162-D166 PolarHBondContact O-N 3.34Å
163	L	97.3	Very high	97.1	Very high	22 Å²	22	65 Å²	65	12%	0.115	32%	0.324	C	S	.	.	H	α-helix	trans	-51.6	-42.7	179.5	177	64.3	0	0	0	111.8	M1 D101 V102 L157 D165 D166 I167	M1-L163 HydrophobicContact CE-CB 4.31Å; M1-L163 HydrophobicContact CE-CD1 4.08Å; M1-L163 HydrophobicContact CE-CD2 3.85Å; M1-L163 HydrophobicContact CE-CG 4.31Å; M1-L163 HydrophobicContact SD-CD2 4.14Å; D101-L163 HydrophobicContact CB-CD2 4.12Å; V102-L163 HydrophobicContact CG2-CD2 3.95Å; L157-L163 HydrophobicContact CB-CD1 4.18Å; L157-L163 HydrophobicContact CD2-CD1 3.78Å; L157-L163 HydrophobicContact CG-CD1 4.5Å; L163-D165 VanDerWaalsContact C-N 3.3Å; L163-D165 PolarHBondContact O-N 3.36Å; L163-D166 PolarHBondContact O-N 3Å; L163-I167 HydrophobicContact CD1-CB 4.22Å; L163-I167 HydrophobicContact CD1-CD1 4.18Å; L163-I167 HydrophobicContact CD1-CG1 4.44Å; L163-I167 WeakPolarHBondContact O-CB 3.29Å; L163-I167 WeakPolarHBondContact O-CG2 3.28Å; L163-I167 PolarHBondContact O-N 2.86Å
164	N	96.1	Very high	97.1	Very high	75 Å²	75	65.1 Å²	65.1	40%	0.401	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-33.2	-174.2	-57.5	-30.6	0	0	0	112.4	H130 N162	H130-N164 PolarHBondContact NE2-OD1 3.44Å; N162-N164 PolarHBondContact O-N 2.93Å; N162-N164 PolarHBondContact OD1-N 3.41Å; N162-N164 VanDerWaalsContact OD1-N 3.11Å
165	D	95.9	Very high	97	Very high	117 Å²	117	68.9 Å²	68.9	63%	0.626	34%	0.342	S	S	*	.	H	α-helix	trans	-86.4	-37.1	-179.7	-60.4	-13.1	0	0	0	111	N162 L163	N162-D165 HydrophobicContact CB-CB 4.13Å; N162-D165 PolarHBondContact ND2-OD1 3.26Å; N162-D165 PolarHBondContact ND2-OD2 2.94Å; N162-D165 PolarHBondContact O-N 2.98Å; N162-D165 VanDerWaalsContact O-N 3.16Å; L163-D165 VanDerWaalsContact C-N 3.3Å; L163-D165 PolarHBondContact O-N 3.36Å
166	D	97.6	Very high	96.9	Very high	52 Å²	52	70.5 Å²	70.5	28%	0.278	36%	0.355	S	S	.	.	H	α-helix	trans	-90.4	-17.7	-169.2	-60.5	-28.2	0	0	0	113	C160 R161 N162 L163 E168 D169 V170	C160-D166 HydrophobicContact CB-CB 3.83Å; C160-D166 WeakPolarHBondContact CB-OD2 3.08Å; R161-D166 PolarHBondContact N-OD2 3.07Å; N162-D166 PolarHBondContact N-OD2 3.22Å; N162-D166 VanDerWaalsContact O-CB 3.25Å; N162-D166 WeakPolarHBondContact O-CB 3.42Å; N162-D166 PolarHBondContact O-N 3.34Å; L163-D166 PolarHBondContact O-N 3Å; D166-E168 PolarHBondContact O-N 2.63Å; D166-D169 PolarHBondContact O-N 2.88Å; D166-V170 PolarHBondContact O-N 2.99Å
167	I	98	Very high	96.8	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-60.5	-42.5	-168.7	-171.9	164.3	0	0	0	113.3	H130 L157 L163 D169 V170 L171	H130-I167 HydrophobicContact CB-CD1 3.55Å; H130-I167 VanDerWaalsContact CG-CD1 3.44Å; L157-I167 HydrophobicContact CD2-CD1 4.15Å; L157-I167 HydrophobicContact CD2-CG1 3.83Å; L163-I167 HydrophobicContact CD1-CB 4.22Å; L163-I167 HydrophobicContact CD1-CD1 4.18Å; L163-I167 HydrophobicContact CD1-CG1 4.44Å; L163-I167 WeakPolarHBondContact O-CB 3.29Å; L163-I167 WeakPolarHBondContact O-CG2 3.28Å; L163-I167 PolarHBondContact O-N 2.86Å; I167-D169 VanDerWaalsContact C-N 3.3Å; I167-D169 PolarHBondContact O-N 3.07Å; I167-V170 PolarHBondContact O-N 3.34Å; I167-V170 VanDerWaalsContact O-N 3.13Å; I167-L171 HydrophobicContact CD1-CD1 4.32Å; I167-L171 HydrophobicContact CG1-CD1 3.89Å; I167-L171 HydrophobicContact CG1-CD2 4.39Å; I167-L171 HydrophobicContact CG1-CG 3.84Å; I167-L171 VanDerWaalsContact O-CG 3.29Å; I167-L171 WeakPolarHBondContact O-CG 3.37Å; I167-L171 PolarHBondContact O-N 2.85Å
168	E	97.2	Very high	96.5	Very high	100 Å²	100	76.8 Å²	76.8	47%	0.467	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-38.5	-177.2	-66.9	-64.9	169.2	0	0	112	D166 S172 H184	D166-E168 PolarHBondContact O-N 2.63Å; E168-S172 VanDerWaalsContact O-CB 3.28Å; E168-S172 WeakPolarHBondContact O-CB 3.43Å; E168-S172 PolarHBondContact O-N 3.12Å; E168-S172 PolarHBondContact O-OG 2.88Å; E168-H184 IonicContact OE1-CE1 2.97Å; E168-H184 PolarHBondContact OE1-CE1 3.27Å; E168-H184 IonicContact OE1-ND1 3.78Å; E168-H184 PolarHBondContact OE1-ND1 3.02Å; E168-H184 IonicContact OE2-ND1 3.13Å
169	D	97.4	Very high	96.3	Very high	124 Å²	124	81.7 Å²	81.7	66%	0.663	41%	0.406	S	S	*	.	H	α-helix	trans	-67	-41.4	175.9	-72	-21.6	0	0	0	111	D166 I167 A173	D166-D169 PolarHBondContact O-N 2.88Å; I167-D169 VanDerWaalsContact C-N 3.3Å; I167-D169 PolarHBondContact O-N 3.07Å; D169-A173 WeakPolarHBondContact O-CB 3.49Å; D169-A173 PolarHBondContact O-N 2.98Å
170	V	97.9	Very high	96.1	Very high	21 Å²	21	79.4 Å²	79.4	13%	0.127	39%	0.39	C	S	.	.	H	α-helix	trans	-64.7	-44.9	176.9	174.4	0	0	0	0	111.4	Q156 L157 D166 I167 F174	Q156-V170 HydrophobicContact CB-CG1 3.63Å; L157-V170 HydrophobicContact CD2-CB 4.24Å; L157-V170 HydrophobicContact CD2-CG1 3.85Å; L157-V170 HydrophobicContact CG-CG1 4.32Å; D166-V170 PolarHBondContact O-N 2.99Å; I167-V170 PolarHBondContact O-N 3.34Å; I167-V170 VanDerWaalsContact O-N 3.13Å; V170-F174 WeakPolarHBondContact O-CB 3.23Å; V170-F174 PolarHBondContact O-N 3.37Å
171	L	97.8	Very high	95.9	Very high	7 Å²	7	84.9 Å²	84.9	4%	0.037	41%	0.413	C	S	.	.	H	α-helix	trans	-65.7	-43.4	179	-64.2	-173.2	0	0	0	111.1	I132 I153 I167 A173 F174 E175 I182 H184	I132-L171 HydrophobicContact CD1-CD2 4.33Å; I132-L171 HydrophobicContact CG2-CD1 3.85Å; I132-L171 HydrophobicContact CG2-CD2 4.29Å; I153-L171 HydrophobicContact CD1-CD2 3.49Å; I153-L171 VanDerWaalsContact CD1-CD2 3.49Å; I153-L171 HydrophobicContact CG1-CD2 4.33Å; I167-L171 HydrophobicContact CD1-CD1 4.32Å; I167-L171 HydrophobicContact CG1-CD1 3.89Å; I167-L171 HydrophobicContact CG1-CD2 4.39Å; I167-L171 HydrophobicContact CG1-CG 3.84Å; I167-L171 VanDerWaalsContact O-CG 3.29Å; I167-L171 WeakPolarHBondContact O-CG 3.37Å; I167-L171 PolarHBondContact O-N 2.85Å; L171-A173 PolarHBondContact O-N 3.14Å; L171-F174 PolarHBondContact O-N 3.12Å; L171-E175 WeakPolarHBondContact O-CB 3.28Å; L171-E175 PolarHBondContact O-N 3Å; L171-I182 HydrophobicContact CB-CD1 4.38Å; L171-I182 HydrophobicContact CD1-CG2 4.26Å; L171-I182 HydrophobicContact CD2-CD1 4.29Å; L171-I182 HydrophobicContact CD2-CG2 4.31Å; L171-H184 HydrophobicContact CD1-CB 3.5Å
172	S	97.2	Very high	96.1	Very high	72 Å²	72	73.8 Å²	73.8	50%	0.503	37%	0.372	S	S	.	.	H	α-helix	trans	-59.9	-46.6	177	-62.3	0	0	0	0	112	E168 F174 E175 E176	E168-S172 VanDerWaalsContact O-CB 3.28Å; E168-S172 WeakPolarHBondContact O-CB 3.43Å; E168-S172 PolarHBondContact O-N 3.12Å; E168-S172 PolarHBondContact O-OG 2.88Å; S172-F174 VanDerWaalsContact C-N 3.32Å; S172-F174 PolarHBondContact O-N 3.34Å; S172-E175 PolarHBondContact O-N 2.94Å; S172-E176 PolarHBondContact O-N 3.47Å
173	A	96.8	Very high	96.2	Very high	49 Å²	49	73 Å²	73	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-36.2	176.6	0	0	0	0	0	112.3	D169 L171 K177	D169-A173 WeakPolarHBondContact O-CB 3.49Å; D169-A173 PolarHBondContact O-N 2.98Å; L171-A173 PolarHBondContact O-N 3.14Å; A173-K177 WeakPolarHBondContact O-CB 3.38Å; A173-K177 PolarHBondContact O-N 2.88Å; A173-K177 VanDerWaalsContact O-N 3.12Å
174	F	96.3	Very high	96.2	Very high	4 Å²	4	73.6 Å²	73.6	2%	0.018	37%	0.37	C	S	.	.	H	α-helix	trans	-69.2	-41.5	176.2	-172.9	-87.2	0	0	0	112.3	I134 M149 D152 I153 V170 L171 S172 K177 S178 I182	I134-F174 HydrophobicContact CD1-CE1 4.23Å; M149-F174 HydrophobicContact CB-CZ 4.16Å; M149-F174 HydrophobicContact CE-CE1 4.03Å; M149-F174 HydrophobicContact CE-CZ 3.95Å; D152-F174 HydrophobicContact CB-CE2 4.31Å; I153-F174 HydrophobicContact CB-CD2 3.78Å; I153-F174 HydrophobicContact CB-CE2 3.7Å; I153-F174 HydrophobicContact CB-CG 4.33Å; I153-F174 HydrophobicContact CB-CZ 4.15Å; I153-F174 HydrophobicContact CD1-CB 3.91Å; I153-F174 HydrophobicContact CD1-CD1 3.75Å; I153-F174 HydrophobicContact CD1-CD2 3.92Å; I153-F174 HydrophobicContact CD1-CE1 4.18Å; I153-F174 HydrophobicContact CD1-CE2 4.36Å; I153-F174 HydrophobicContact CD1-CG 3.57Å; I153-F174 HydrophobicContact CD1-CZ 4.46Å; I153-F174 HydrophobicContact CG1-CD2 4.15Å; I153-F174 HydrophobicContact CG1-CG 4.29Å; I153-F174 HydrophobicContact CG2-CE2 4.49Å; V170-F174 WeakPolarHBondContact O-CB 3.23Å; V170-F174 PolarHBondContact O-N 3.37Å; L171-F174 PolarHBondContact O-N 3.12Å; S172-F174 VanDerWaalsContact C-N 3.32Å; S172-F174 PolarHBondContact O-N 3.34Å; F174-K177 PolarHBondContact O-N 3.3Å; F174-S178 WeakPolarHBondContact O-CB 3.04Å; F174-S178 PolarHBondContact O-N 3.26Å; F174-S178 PolarHBondContact O-OG 3.02Å; F174-I182 HydrophobicContact CB-CD1 4.12Å; F174-I182 HydrophobicContact CD1-CD1 3.41Å; F174-I182 VanDerWaalsContact CD1-CD1 3.41Å; F174-I182 HydrophobicContact CD1-CG1 4.38Å; F174-I182 HydrophobicContact CE1-CD1 4.24Å; F174-I182 HydrophobicContact CG-CD1 4.17Å
175	E	96.3	Very high	96.3	Very high	79 Å²	79	72.1 Å²	72.1	37%	0.369	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-46.5	176	171.7	154.4	160.2	0	0	110.9	L171 S172 K177 S178 K179 R180 I182	L171-E175 WeakPolarHBondContact O-CB 3.28Å; L171-E175 PolarHBondContact O-N 3Å; S172-E175 PolarHBondContact O-N 2.94Å; E175-K177 PolarHBondContact O-N 3.43Å; E175-S178 PolarHBondContact O-N 3.14Å; E175-K179 WeakPolarHBondContact O-CA 3.42Å; E175-K179 PolarHBondContact O-N 3.46Å; E175-R180 WeakPolarHBondContact CG-O 3.46Å; E175-I182 HydrophobicContact CB-CD1 4.21Å; E175-I182 HydrophobicContact CB-CG1 4.42Å; E175-I182 PolarHBondContact OE2-N 3.01Å
176	E	96	Very high	96.4	Very high	161 Å²	161	70 Å²	70	75%	0.752	36%	0.356	S	S	*	.	H	α-helix	trans	-59.6	-46.2	175.8	-173.9	-179.2	-177.7	0	0	111.9	S172	S172-E176 PolarHBondContact O-N 3.47Å
177	K	95	Very high	96.3	Very high	141 Å²	141	68.9 Å²	68.9	61%	0.613	35%	0.349	S	S	*	.	H	α-helix	trans	-67.3	-42.9	-179.7	-179.7	-174.8	174.2	-169.8	0	112.5	D152 A173 F174 E175	D152-K177 IonicContact OD1-NZ 3.39Å; D152-K177 IonicContact OD2-NZ 3.74Å; D152-K177 PolarHBondContact OD2-NZ 3.16Å; A173-K177 WeakPolarHBondContact O-CB 3.38Å; A173-K177 PolarHBondContact O-N 2.88Å; A173-K177 VanDerWaalsContact O-N 3.12Å; F174-K177 PolarHBondContact O-N 3.3Å; E175-K177 PolarHBondContact O-N 3.43Å
178	S	92.8	Very high	96.1	Very high	31 Å²	31	74.1 Å²	74.1	22%	0.217	37%	0.372	C	S	.	.	H	α-helix	trans	-87.2	-16.6	-173.5	68	0	0	0	0	113.5	F174 E175 R180	F174-S178 WeakPolarHBondContact O-CB 3.04Å; F174-S178 PolarHBondContact O-N 3.26Å; F174-S178 PolarHBondContact O-OG 3.02Å; E175-S178 PolarHBondContact O-N 3.14Å; S178-R180 PolarHBondContact O-N 3.41Å
179	K	93.5	Very high	95.8	Very high	190 Å²	190	69.4 Å²	69.4	83%	0.826	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	40.6	-172.8	-56.7	-178.6	178.6	-178.4	0	112.1	E175	E175-K179 WeakPolarHBondContact O-CA 3.42Å; E175-K179 PolarHBondContact O-N 3.46Å
180	R	91.1	Very high	95.7	Very high	82 Å²	82	66.7 Å²	66.7	31%	0.309	33%	0.334	S	S	.	.			trans	-132.3	133.5	178	-65.2	-168.6	-174.5	-121.8	-1.5	109.4	D135 E142 E175 S178 I182	D135-R180 PolarHBondContact O-NH1 3.04Å; E142-R180 IonicContact OE2-NH2 2.63Å; E175-R180 WeakPolarHBondContact CG-O 3.46Å; S178-R180 PolarHBondContact O-N 3.41Å; R180-I182 PolarHBondContact O-N 3.45Å
181	E	94.4	Very high	95.6	Very high	142 Å²	142	69.1 Å²	69.1	66%	0.664	35%	0.345	S	S	*	.			trans	-61	131.4	171.2	-176.9	175.3	-170.5	0	0	110.2	L183	E181-L183 HydrophobicContact CG-CD2 4.33Å
182	I	97	Very high	95.5	Very high	18 Å²	18	72.6 Å²	72.6	9%	0.092	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.9	170.9	-59.7	171.9	0	0	0	108.6	I132 N133 I153 L171 F174 E175 R180	I132-I182 HydrophobicContact CB-CG2 4.26Å; N133-I182 WeakPolarHBondContact O-CA 3.15Å; I153-I182 HydrophobicContact CD1-CD1 4.14Å; L171-I182 HydrophobicContact CB-CD1 4.38Å; L171-I182 HydrophobicContact CD1-CG2 4.26Å; L171-I182 HydrophobicContact CD2-CD1 4.29Å; L171-I182 HydrophobicContact CD2-CG2 4.31Å; F174-I182 HydrophobicContact CB-CD1 4.12Å; F174-I182 HydrophobicContact CD1-CD1 3.41Å; F174-I182 VanDerWaalsContact CD1-CD1 3.41Å; F174-I182 HydrophobicContact CD1-CG1 4.38Å; F174-I182 HydrophobicContact CE1-CD1 4.24Å; F174-I182 HydrophobicContact CG-CD1 4.17Å; E175-I182 HydrophobicContact CB-CD1 4.21Å; E175-I182 HydrophobicContact CB-CG1 4.42Å; E175-I182 PolarHBondContact OE2-N 3.01Å; R180-I182 PolarHBondContact O-N 3.45Å
183	L	98	Very high	95.4	Very high	45 Å²	45	72.6 Å²	72.6	24%	0.236	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	142.2	166.4	-49.9	177.1	0	0	0	108.9	E108 F111 I132 N133 E181	E108-L183 HydrophobicContact CB-CD1 4.49Å; E108-L183 HydrophobicContact CG-CD1 3.86Å; F111-L183 HydrophobicContact CD1-CB 4.3Å; F111-L183 HydrophobicContact CD1-CD1 3.96Å; F111-L183 HydrophobicContact CE1-CB 3.8Å; F111-L183 HydrophobicContact CE1-CD1 4.08Å; F111-L183 HydrophobicContact CE2-CB 4.23Å; F111-L183 HydrophobicContact CZ-CB 3.77Å; I132-L183 CarbonylContact C-O 3.48Å; I132-L183 WeakPolarHBondContact CA-O 3.07Å; N133-L183 HydrophobicContact CB-CB 3.81Å; N133-L183 HydrophobicContact CB-CD1 4.14Å; N133-L183 HydrophobicContact CB-CG 4.1Å; N133-L183 PolarHBondContact N-O 3.17Å; N133-L183 PolarHBondContact O-N 3.31Å; E181-L183 HydrophobicContact CG-CD2 4.33Å
184	H	98.2	Very high	95.3	Very high	34 Å²	34	74.1 Å²	74.1	16%	0.157	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	132.4	179.7	169.8	-124.4	0	0	0	111.2	H130 I131 I132 E168 L171	H130-H184 AromaticContact CE1-NE2 3.96Å; H130-H184 AromaticContact CG-NE2 3.71Å; H130-H184 AromaticContact ND1-CE1 3.65Å; H130-H184 AromaticContact ND1-NE2 2.9Å; H130-H184 PolarHBondContact ND1-NE2 3.39Å; I131-H184 WeakPolarHBondContact O-CA 3.32Å; I132-H184 HydrophobicContact CG2-CB 4.14Å; E168-H184 IonicContact OE1-CE1 2.97Å; E168-H184 PolarHBondContact OE1-CE1 3.27Å; E168-H184 IonicContact OE1-ND1 3.78Å; E168-H184 PolarHBondContact OE1-ND1 3.02Å; E168-H184 IonicContact OE2-ND1 3.13Å; L171-H184 HydrophobicContact CD1-CB 3.5Å
185	V	98	Very high	95.2	Very high	45 Å²	45	78.7 Å²	78.7	27%	0.273	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	128	170.8	-178.3	0	0	0	0	110.3	F111 M115 I131 F187	F111-V185 HydrophobicContact CZ-CB 4.4Å; F111-V185 HydrophobicContact CZ-CG2 3.97Å; M115-V185 HydrophobicContact CE-CB 4.34Å; M115-V185 HydrophobicContact CE-CG1 4.31Å; M115-V185 HydrophobicContact CE-CG2 3.91Å; M115-V185 HydrophobicContact SD-CG2 4.29Å; I131-V185 PolarHBondContact N-O 3.38Å; I131-V185 PolarHBondContact O-N 3.4Å; V185-F187 HydrophobicContact CB-CE2 3.85Å; V185-F187 HydrophobicContact CB-CZ 4.43Å; V185-F187 HydrophobicContact CG1-CD2 4.13Å; V185-F187 HydrophobicContact CG1-CE2 3.44Å; V185-F187 VanDerWaalsContact CG1-CE2 3.44Å; V185-F187 HydrophobicContact CG1-CZ 3.68Å
186	P	97.4	Very high	95.1	Very high	72 Å²	72	78.7 Å²	78.7	47%	0.468	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	144.1	171.8	32.7	-33.7	0	0	0	112.4	I128 C129	I128-P186 HydrophobicContact CG2-CB 3.87Å; C129-P186 CarbonylContact O-C 3.58Å; C129-P186 WeakPolarHBondContact O-CA 3.33Å
187	F	96.5	Very high	95	Very high	29 Å²	29	72.4 Å²	72.4	13%	0.127	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153	174.1	-70.8	-87.2	0	0	0	111.1	M115 M118 I119 I128 C129 I131 V185	M115-F187 HydrophobicContact CB-CE2 4.25Å; M115-F187 HydrophobicContact CB-CZ 3.89Å; M115-F187 HydrophobicContact CE-CE2 4.48Å; M115-F187 HydrophobicContact CE-CZ 3.98Å; M115-F187 HydrophobicContact CG-CE2 3.8Å; M115-F187 HydrophobicContact CG-CZ 3.85Å; M118-F187 HydrophobicContact CB-CB 4.28Å; M118-F187 HydrophobicContact CB-CD1 3.96Å; M118-F187 HydrophobicContact CB-CD2 4.31Å; M118-F187 HydrophobicContact CB-CE1 4.41Å; M118-F187 HydrophobicContact CB-CG 3.91Å; M118-F187 HydrophobicContact CE-CB 3.87Å; I119-F187 HydrophobicContact CD1-CE1 4.17Å; I119-F187 HydrophobicContact CD1-CZ 4.48Å; I119-F187 HydrophobicContact CG1-CD1 4.39Å; I119-F187 HydrophobicContact CG1-CE1 3.55Å; I119-F187 HydrophobicContact CG1-CZ 4.27Å; I128-F187 CarbonylContact C-O 3.51Å; I128-F187 WeakPolarHBondContact CA-O 3.28Å; C129-F187 PolarHBondContact N-O 2.93Å; C129-F187 PolarHBondContact O-N 2.68Å; I131-F187 HydrophobicContact CD1-CD2 3.49Å; I131-F187 VanDerWaalsContact CD1-CD2 3.49Å; I131-F187 HydrophobicContact CD1-CE2 3.53Å; I131-F187 HydrophobicContact CD1-CG 4.48Å; I131-F187 HydrophobicContact CG1-CD2 3.8Å; I131-F187 HydrophobicContact CG1-CE2 4.12Å; V185-F187 HydrophobicContact CB-CE2 3.85Å; V185-F187 HydrophobicContact CB-CZ 4.43Å; V185-F187 HydrophobicContact CG1-CD2 4.13Å; V185-F187 HydrophobicContact CG1-CE2 3.44Å; V185-F187 VanDerWaalsContact CG1-CE2 3.44Å; V185-F187 HydrophobicContact CG1-CZ 3.68Å
188	F	94.4	Very high	95.1	Very high	110 Å²	110	66.7 Å²	66.7	48%	0.482	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.8	166.8	-63.9	-78	0	0	0	110.4	I123 I128	I123-F188 HydrophobicContact CD1-CB 4.45Å; I123-F188 HydrophobicContact CG1-CB 4.46Å; I123-F188 HydrophobicContact CG2-CB 3.86Å; I128-F188 HydrophobicContact CD1-CE1 3.86Å; I128-F188 HydrophobicContact CD1-CZ 4.26Å; I128-F188 HydrophobicContact CG1-CD1 3.78Å; I128-F188 HydrophobicContact CG1-CE1 3.43Å; I128-F188 VanDerWaalsContact CG1-CE1 3.43Å; I128-F188 HydrophobicContact CG1-CZ 4.19Å
189	Y	89.4	Confident	95.3	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.008	33%	0.331	C	S	.	.			trans	-81.7	0	171.7	-90	-63.7	0	0	0	114.2	T99 F100 M118 K124 S125 H127 C129	T99-Y189 HydrophobicContact CG2-CD1 3.73Å; T99-Y189 HydrophobicContact CG2-CD2 3.65Å; T99-Y189 HydrophobicContact CG2-CE1 4.14Å; T99-Y189 HydrophobicContact CG2-CE2 4.05Å; T99-Y189 HydrophobicContact CG2-CG 3.46Å; T99-Y189 VanDerWaalsContact CG2-CG 3.46Å; F100-Y189 WeakPolarHBondContact CD2-OH 3.44Å; F100-Y189 VanDerWaalsContact N-CZ 3.34Å; F100-Y189 PolarHBondContact N-OH 3.44Å; F100-Y189 VanDerWaalsContact O-CE2 3.26Å; F100-Y189 WeakPolarHBondContact O-CE2 3.27Å; M118-Y189 HydrophobicContact CE-CD1 3.72Å; M118-Y189 HydrophobicContact CE-CE1 3.48Å; M118-Y189 VanDerWaalsContact CE-CE1 3.48Å; M118-Y189 HydrophobicContact CE-CE2 4.4Å; M118-Y189 HydrophobicContact CE-CG 4.28Å; M118-Y189 HydrophobicContact SD-CD1 4.34Å; M118-Y189 HydrophobicContact SD-CE1 3.73Å; K124-Y189 CarbonylContact C-O 3.52Å; K124-Y189 VanDerWaalsContact N-C 3.29Å; K124-Y189 PolarHBondContact N-O 2.99Å; K124-Y189 PolarHBondContact N-OXT 3.48Å; S125-Y189 CarbonylContact C-O 3.58Å; S125-Y189 WeakPolarHBondContact CA-O 3.39Å; S125-Y189 PolarHBondContact N-O 3.38Å; S125-Y189 VanDerWaalsContact OG-CB 3.3Å; S125-Y189 WeakPolarHBondContact OG-CB 3.45Å; S125-Y189 PolarHBondContact OG-O 2.93Å; H127-Y189 AromaticContact CD2-CD2 3.77Å; H127-Y189 PolarHBondContact O-N 3.14Å; C129-Y189 HydrophobicContact CB-CD2 3.96Å; C129-Y189 HydrophobicContact CB-CE2 3.43Å; C129-Y189 VanDerWaalsContact CB-CE2 3.43Å

Retrieved 189 of 189 residues in 231.2 ms (Link to these results)

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