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Isoform 2 of Ubiquitin carboxyl-terminal hydrolase isozyme L5 AlphaSync

Canonical isoform description: Protease that specifically cleaves 'Lys-48'-linked polyubiquitin chains. Deubiquitinating enzyme associated with the 19S regulatory subunit of the 26S proteasome. Putative regulatory component of the INO80 complex; however is inactive in the INO80 complex and is activated by a transient interaction of the INO80 complex with the proteasome via ADRM1.

AlphaFold DB , UniProt , Accession Q9Y5K5-2 (canonical: Q9Y5K5), Species HUMAN (Homo sapiens, Human), Gene UCHL5, Length 316 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	30.8	Very low	61	Low	243 Å²	243	94.9 Å²	94.9	100%	1.197	57%	0.574	S	S	*	*				0	120.6	0	-62.8	-174.1	-160.7	0	0	106.3	G3	M1-G3 PolarHBondContact O-N 3.23Å
2	T	28.9	Very low	63.8	Low	146 Å²	146	93.8 Å²	93.8	90%	0.896	56%	0.559	S	S	*	*			trans	-58.4	103.4	-179	43.4	0	0	0	0	108.9	N4	T2-N4 PolarHBondContact O-N 3.12Å
3	G	32.6	Very low	66.3	Low	69 Å²	69	88.5 Å²	88.5	71%	0.711	53%	0.529	S	S	*	.			trans	-53.2	128.1	176.2	0	0	0	0	0	108.7	M1 A5	M1-G3 PolarHBondContact O-N 3.23Å; G3-A5 PolarHBondContact O-N 3.32Å
4	N	37.6	Very low	68.6	Low	153 Å²	153	83.9 Å²	83.9	82%	0.818	50%	0.5	S	S	*	.			trans	-52.1	105.7	-173.7	-145.2	7.9	0	0	0	109.1	T2 G6	T2-N4 PolarHBondContact O-N 3.12Å; N4-G6 PolarHBondContact O-N 3.03Å
5	A	43.4	Very low	70.6	Confident	82 Å²	82	78.8 Å²	78.8	68%	0.678	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	7.7	-177.7	0	0	0	0	0	113.2	G3	G3-A5 PolarHBondContact O-N 3.32Å
6	G	51.6	Low	72.3	Confident	47 Å²	47	73.9 Å²	73.9	49%	0.485	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-13.5	-162.4	0	0	0	0	0	117.2	N4	N4-G6 PolarHBondContact O-N 3.03Å
7	E	73.5	Confident	73.8	Confident	131 Å²	131	69.6 Å²	69.6	61%	0.612	42%	0.416	S	S	*	.			trans	-148.3	119.8	-175.7	-147.9	164.1	-145.8	0	0	112.4
8	W	92.2	Very high	75.2	Confident	8 Å²	8	65.8 Å²	65.8	3%	0.03	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-85	157.3	170.7	-72.8	23.4	0	0	0	109.5	I84 N86 A87 T90 I136 R137 H140 N141	W8-I84 HydrophobicContact CD2-CD1 4.21Å; W8-I84 HydrophobicContact CG-CD1 4.48Å; W8-I84 HydrophobicContact CZ2-CD1 3.88Å; W8-N86 HydrophobicContact CB-CB 4.42Å; W8-N86 WeakPolarHBondContact O-CB 3.49Å; W8-N86 PolarHBondContact O-ND2 3.17Å; W8-A87 HydrophobicContact CD2-CB 4.25Å; W8-A87 HydrophobicContact CE3-CB 3.83Å; W8-A87 HydrophobicContact CZ3-CB 4.2Å; W8-T90 HydrophobicContact CH2-CG2 4.26Å; W8-T90 HydrophobicContact CZ3-CG2 3.91Å; W8-I136 HydrophobicContact CH2-CG2 3.96Å; W8-R137 HydrophobicContact CZ2-CB 3.85Å; W8-R137 HydrophobicContact CZ2-CG 4.01Å; W8-H140 AromaticContact CD2-CD2 3.96Å; W8-H140 HydrophobicContact CE3-CB 3.84Å; W8-H140 AromaticContact CE3-CD2 3.44Å; W8-H140 VanDerWaalsContact CE3-CD2 3.44Å; W8-H140 AromaticContact CE3-CE1 3.67Å; W8-H140 AromaticContact CE3-CG 3.31Å; W8-H140 AromaticContact CE3-ND1 3.47Å; W8-H140 AromaticContact CE3-NE2 3.67Å; W8-H140 HydrophobicContact CZ3-CB 3.8Å; W8-H140 AromaticContact CZ3-CG 3.66Å; W8-H140 AromaticContact CZ3-ND1 3.71Å; W8-N141 VanDerWaalsContact CA-OD1 3.27Å; W8-N141 WeakPolarHBondContact CA-OD1 3.22Å
9	C	92.9	Very high	76.5	Confident	22 Å²	22	62.5 Å²	62.5	15%	0.149	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-73.2	152.5	175.3	62.6	0	0	0	0	112.1	H140 N141 A144	C9-H140 PolarHBondContact O-NE2 3.45Å; C9-N141 PolarHBondContact N-OD1 3.23Å; C9-A144 HydrophobicContact CB-CB 3.65Å
10	L	93	Very high	77.6	Confident	126 Å²	126	63.3 Å²	63.3	66%	0.66	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-63.5	142.7	163.8	-67.1	174.3	0	0	0	110	N86	L10-N86 HydrophobicContact CD2-CB 4.05Å; L10-N86 WeakPolarHBondContact CD2-OD1 3.35Å
11	M	94.9	Very high	78.6	Confident	17 Å²	17	60.2 Å²	60.2	8%	0.084	36%	0.355	C	S	.	.			trans	-104.2	132.5	178.9	-161.5	59.4	60.1	0	0	110.9	V17 F18 L21 A89 H140 F143 F165	M11-V17 HydrophobicContact CG-CG1 3.77Å; M11-V17 HydrophobicContact SD-CG1 3.29Å; M11-V17 WeakPolarHBondContact SD-CG1 3.18Å; M11-F18 HydrophobicContact CG-CE2 3.84Å; M11-F18 HydrophobicContact CG-CZ 4.37Å; M11-L21 HydrophobicContact CE-CD1 3.92Å; M11-L21 HydrophobicContact CE-CD2 4.12Å; M11-L21 HydrophobicContact CG-CD1 4Å; M11-L21 HydrophobicContact SD-CD1 3.94Å; M11-A89 HydrophobicContact CB-CB 3.44Å; M11-A89 VanDerWaalsContact CB-CB 3.44Å; M11-A89 HydrophobicContact CG-CB 3.83Å; M11-H140 WeakPolarHBondContact CE-O 3.32Å; M11-F143 HydrophobicContact CE-CB 3.93Å; M11-F143 HydrophobicContact CE-CD2 4.23Å; M11-F143 HydrophobicContact CE-CG 4.35Å; M11-F143 HydrophobicContact SD-CB 3.66Å; M11-F143 HydrophobicContact SD-CD2 4.06Å; M11-F143 HydrophobicContact SD-CG 3.83Å; M11-F165 HydrophobicContact CB-CE2 4.39Å
12	E	94.3	Very high	81.8	Confident	82 Å²	82	48.7 Å²	48.7	38%	0.383	30%	0.298	S	S	.	.			trans	-68	133.5	172.3	-173.7	174.7	-169.5	0	0	109.8	D14 F18 R287	E12-D14 HydrophobicContact CG-CB 4.11Å; E12-D14 PolarHBondContact O-N 3.42Å; E12-F18 WeakPolarHBondContact O-CE2 3.48Å; E12-R287 IonicContact OE1-NH2 2.96Å; E12-R287 WeakPolarHBondContact OE2-CD 3.24Å; E12-R287 IonicContact OE2-CZ 3.62Å; E12-R287 IonicContact OE2-NE 2.67Å; E12-R287 PolarHBondContact OE2-NE 3.28Å; E12-R287 IonicContact OE2-NH2 3.75Å
13	S	96.6	Very high	85.1	Confident	25 Å²	25	45.6 Å²	45.6	18%	0.175	27%	0.272	C	S	.	.			trans	-76.7	73.6	175.8	-164.6	0	0	0	0	110.7	N219	S13-N219 PolarHBondContact O-ND2 2.7Å; S13-N219 WeakPolarHBondContact OG-CB 3.19Å; S13-N219 PolarHBondContact OG-ND2 3.05Å; S13-N219 PolarHBondContact OG-OD1 2.93Å
14	D	98.3	Very high	88.3	Confident	23 Å²	23	43.7 Å²	43.7	12%	0.123	25%	0.253	C	S	.	.			trans	-129.7	132.8	-178	173.3	-81.9	0	0	0	110.2	E12 G16 V17 F18 R287	E12-D14 HydrophobicContact CG-CB 4.11Å; E12-D14 PolarHBondContact O-N 3.42Å; D14-G16 VanDerWaalsContact C-N 3.27Å; D14-G16 PolarHBondContact O-N 3.04Å; D14-G16 WeakPolarHBondContact OD1-CA 3.16Å; D14-G16 PolarHBondContact OD1-N 2.93Å; D14-V17 HydrophobicContact CB-CB 4.09Å; D14-V17 HydrophobicContact CB-CG2 3.82Å; D14-V17 WeakPolarHBondContact O-CB 3.32Å; D14-V17 PolarHBondContact O-N 3.43Å; D14-V17 VanDerWaalsContact O-N 3.12Å; D14-V17 PolarHBondContact OD1-N 3.45Å; D14-F18 WeakPolarHBondContact O-CD2 3.35Å; D14-F18 PolarHBondContact O-N 2.98Å; D14-R287 IonicContact OD1-CZ 3.14Å; D14-R287 IonicContact OD1-NH1 2.65Å; D14-R287 PolarHBondContact OD1-NH1 2.98Å; D14-R287 IonicContact OD1-NH2 3.75Å; D14-R287 IonicContact OD2-CZ 3.4Å; D14-R287 IonicContact OD2-NH1 3.49Å; D14-R287 IonicContact OD2-NH2 2.65Å; D14-R287 PolarHBondContact OD2-NH2 2.84Å
15	P	98.5	Very high	91.2	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-30.7	-178.3	24.9	-35.7	0	0	0	113.1	T19 V32 E34 M221 Y280	P15-T19 WeakPolarHBondContact O-CB 3.5Å; P15-T19 PolarHBondContact O-N 2.83Å; P15-T19 PolarHBondContact O-OG1 2.93Å; P15-V32 HydrophobicContact CB-CG1 4.38Å; P15-V32 WeakPolarHBondContact CB-O 3.25Å; P15-E34 HydrophobicContact CB-CB 4.4Å; P15-E34 HydrophobicContact CG-CB 3.99Å; P15-M221 HydrophobicContact CB-SD 4.47Å; P15-Y280 WeakPolarHBondContact CB-OH 3.49Å; P15-Y280 HydrophobicContact CG-CE1 4.31Å; P15-Y280 VanDerWaalsContact CG-OH 3.26Å; P15-Y280 WeakPolarHBondContact CG-OH 3.3Å
16	G	98.2	Very high	93.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-71.1	-31.5	174.8	0	0	0	0	0	113.3	D14 E20 Y280 N284	D14-G16 VanDerWaalsContact C-N 3.27Å; D14-G16 PolarHBondContact O-N 3.04Å; D14-G16 WeakPolarHBondContact OD1-CA 3.16Å; D14-G16 PolarHBondContact OD1-N 2.93Å; G16-E20 VanDerWaalsContact O-CB 3.29Å; G16-E20 WeakPolarHBondContact O-CB 3.21Å; G16-E20 PolarHBondContact O-N 3.02Å; G16-Y280 VanDerWaalsContact CA-CD2 3.46Å; G16-Y280 VanDerWaalsContact CA-CG 3.4Å; G16-N284 PolarHBondContact O-ND2 3.42Å; G16-N284 VanDerWaalsContact O-ND2 3.11Å
17	V	98.4	Very high	96	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-68.8	-52.7	170.5	171.9	0	0	0	0	110.3	M11 D14 T19 E20 L21 F143	M11-V17 HydrophobicContact CG-CG1 3.77Å; M11-V17 HydrophobicContact SD-CG1 3.29Å; M11-V17 WeakPolarHBondContact SD-CG1 3.18Å; D14-V17 HydrophobicContact CB-CB 4.09Å; D14-V17 HydrophobicContact CB-CG2 3.82Å; D14-V17 WeakPolarHBondContact O-CB 3.32Å; D14-V17 PolarHBondContact O-N 3.43Å; D14-V17 VanDerWaalsContact O-N 3.12Å; D14-V17 PolarHBondContact OD1-N 3.45Å; V17-T19 PolarHBondContact O-N 3.34Å; V17-E20 WeakPolarHBondContact O-CB 3.49Å; V17-E20 PolarHBondContact O-N 3.45Å; V17-E20 VanDerWaalsContact O-N 3.14Å; V17-L21 HydrophobicContact CG1-CD1 4.37Å; V17-L21 WeakPolarHBondContact O-CG 3.36Å; V17-L21 PolarHBondContact O-N 2.89Å; V17-F143 HydrophobicContact CB-CE1 4.15Å; V17-F143 HydrophobicContact CB-CZ 4.47Å; V17-F143 HydrophobicContact CG1-CD1 3.93Å; V17-F143 HydrophobicContact CG1-CD2 4.44Å; V17-F143 HydrophobicContact CG1-CE1 3.84Å; V17-F143 HydrophobicContact CG1-CE2 4.36Å; V17-F143 HydrophobicContact CG1-CG 4.23Å; V17-F143 HydrophobicContact CG1-CZ 4.05Å; V17-F143 HydrophobicContact CG2-CD1 4.14Å; V17-F143 HydrophobicContact CG2-CE1 3.82Å
18	F	98.7	Very high	97.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.8	-37.3	-177.5	-84.9	-113.1	0	0	0	112.6	M11 E12 D14 E20 L21 I22 V32 I53 A89 I93 F165 M221	M11-F18 HydrophobicContact CG-CE2 3.84Å; M11-F18 HydrophobicContact CG-CZ 4.37Å; E12-F18 WeakPolarHBondContact O-CE2 3.48Å; D14-F18 WeakPolarHBondContact O-CD2 3.35Å; D14-F18 PolarHBondContact O-N 2.98Å; F18-E20 VanDerWaalsContact C-N 3.31Å; F18-E20 PolarHBondContact O-N 3.19Å; F18-L21 PolarHBondContact O-N 2.85Å; F18-I22 WeakPolarHBondContact O-CG1 3.39Å; F18-I22 PolarHBondContact O-N 2.89Å; F18-V32 HydrophobicContact CB-CB 4.09Å; F18-V32 HydrophobicContact CB-CG1 4.07Å; F18-V32 HydrophobicContact CB-CG2 3.84Å; F18-I53 HydrophobicContact CD1-CD1 3.67Å; F18-I53 HydrophobicContact CE1-CD1 3.71Å; F18-I53 HydrophobicContact CE1-CG2 3.94Å; F18-A89 HydrophobicContact CE1-CB 4.19Å; F18-A89 HydrophobicContact CE2-CB 4.45Å; F18-A89 HydrophobicContact CZ-CB 3.67Å; F18-I93 HydrophobicContact CD1-CD1 3.59Å; F18-I93 HydrophobicContact CD1-CG1 3.69Å; F18-I93 HydrophobicContact CE1-CD1 3.99Å; F18-I93 HydrophobicContact CE1-CG1 3.99Å; F18-I93 HydrophobicContact CG-CD1 4.3Å; F18-F165 HydrophobicContact CE1-CE1 4.46Å; F18-F165 HydrophobicContact CE2-CE1 4.12Å; F18-F165 HydrophobicContact CE2-CE2 4.44Å; F18-F165 AromaticContact CE2-CZ 3.84Å; F18-F165 HydrophobicContact CE2-CZ 3.84Å; F18-F165 HydrophobicContact CZ-CD1 4.04Å; F18-F165 HydrophobicContact CZ-CD2 4.33Å; F18-F165 AromaticContact CZ-CE1 3.6Å; F18-F165 HydrophobicContact CZ-CE1 3.6Å; F18-F165 AromaticContact CZ-CE2 3.96Å; F18-F165 HydrophobicContact CZ-CE2 3.96Å; F18-F165 HydrophobicContact CZ-CG 4.37Å; F18-F165 AromaticContact CZ-CZ 3.56Å; F18-F165 HydrophobicContact CZ-CZ 3.56Å; F18-M221 HydrophobicContact CB-SD 4.25Å; F18-M221 HydrophobicContact CD1-CE 3.86Å; F18-M221 HydrophobicContact CD2-CE 3.52Å; F18-M221 HydrophobicContact CD2-SD 4.01Å; F18-M221 HydrophobicContact CE1-CE 3.89Å; F18-M221 HydrophobicContact CE2-CE 3.54Å; F18-M221 HydrophobicContact CG-CE 3.69Å; F18-M221 HydrophobicContact CG-SD 4.04Å; F18-M221 HydrophobicContact CZ-CE 3.72Å
19	T	98.7	Very high	97.5	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-41	171.7	-65.2	0	0	0	0	111.6	P15 V17 K23 Q31 V32	P15-T19 WeakPolarHBondContact O-CB 3.5Å; P15-T19 PolarHBondContact O-N 2.83Å; P15-T19 PolarHBondContact O-OG1 2.93Å; V17-T19 PolarHBondContact O-N 3.34Å; T19-K23 HydrophobicContact CG2-CD 4.25Å; T19-K23 WeakPolarHBondContact O-CG 3.36Å; T19-K23 PolarHBondContact O-N 2.75Å; T19-K23 VanDerWaalsContact O-N 3.11Å; T19-Q31 HydrophobicContact CG2-CB 4.14Å; T19-V32 PolarHBondContact OG1-N 3.12Å; T19-V32 PolarHBondContact OG1-O 3.49Å
20	E	98.6	Very high	97.8	Very high	77 Å²	77	32.7 Å²	32.7	36%	0.36	17%	0.171	S	C	.	.	H	α-helix	trans	-71	-35.2	178.3	-175.4	67.4	-164.5	0	0	112.1	G16 V17 F18 K23 G24 F143 N284	G16-E20 VanDerWaalsContact O-CB 3.29Å; G16-E20 WeakPolarHBondContact O-CB 3.21Å; G16-E20 PolarHBondContact O-N 3.02Å; V17-E20 WeakPolarHBondContact O-CB 3.49Å; V17-E20 PolarHBondContact O-N 3.45Å; V17-E20 VanDerWaalsContact O-N 3.14Å; F18-E20 VanDerWaalsContact C-N 3.31Å; F18-E20 PolarHBondContact O-N 3.19Å; E20-K23 PolarHBondContact O-N 3.4Å; E20-G24 PolarHBondContact O-N 2.9Å; E20-F143 HydrophobicContact CB-CZ 3.89Å; E20-F143 HydrophobicContact CG-CE2 4.31Å; E20-F143 HydrophobicContact CG-CZ 3.78Å; E20-N284 WeakPolarHBondContact CB-ND2 3.48Å
21	L	98.6	Very high	98.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-49.5	172.1	-71.5	174.2	0	0	0	111.4	M11 V17 F18 K23 G24 F25 I93 V139 F143	M11-L21 HydrophobicContact CE-CD1 3.92Å; M11-L21 HydrophobicContact CE-CD2 4.12Å; M11-L21 HydrophobicContact CG-CD1 4Å; M11-L21 HydrophobicContact SD-CD1 3.94Å; V17-L21 HydrophobicContact CG1-CD1 4.37Å; V17-L21 WeakPolarHBondContact O-CG 3.36Å; V17-L21 PolarHBondContact O-N 2.89Å; F18-L21 PolarHBondContact O-N 2.85Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.15Å; L21-G24 PolarHBondContact O-N 3.03Å; L21-G24 VanDerWaalsContact O-N 3.1Å; L21-F25 HydrophobicContact CB-CE2 4.04Å; L21-F25 HydrophobicContact CB-CZ 4.09Å; L21-F25 HydrophobicContact CD2-CZ 4.29Å; L21-F25 VanDerWaalsContact O-CD2 3.25Å; L21-F25 WeakPolarHBondContact O-CD2 3.35Å; L21-F25 WeakPolarHBondContact O-CG 3.28Å; L21-F25 PolarHBondContact O-N 2.67Å; L21-I93 HydrophobicContact CB-CD1 3.74Å; L21-I93 HydrophobicContact CD1-CD1 3.7Å; L21-I93 HydrophobicContact CG-CD1 4.39Å; L21-V139 HydrophobicContact CD2-CG1 3.81Å; L21-F143 HydrophobicContact CD2-CD2 3.76Å; L21-F143 HydrophobicContact CD2-CE2 3.68Å; L21-F143 HydrophobicContact CG-CD2 4.36Å; L21-F143 HydrophobicContact CG-CE2 3.99Å
22	I	98.8	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.8	-47.3	177.6	-69.7	178.6	0	0	0	110.7	F18 F25 C27 A30 V32 I93 L97 I223	F18-I22 WeakPolarHBondContact O-CG1 3.39Å; F18-I22 PolarHBondContact O-N 2.89Å; I22-F25 PolarHBondContact O-N 3.21Å; I22-C27 HydrophobicContact CG2-CB 3.66Å; I22-C27 WeakPolarHBondContact O-CB 3.26Å; I22-C27 PolarHBondContact O-N 2.64Å; I22-C27 VanDerWaalsContact O-N 3.17Å; I22-A30 HydrophobicContact CG2-CB 4.16Å; I22-V32 HydrophobicContact CD1-CG2 3.4Å; I22-V32 VanDerWaalsContact CD1-CG2 3.4Å; I22-I93 HydrophobicContact CD1-CG2 4.44Å; I22-I93 HydrophobicContact CG1-CD1 4.5Å; I22-I93 HydrophobicContact CG1-CG2 3.72Å; I22-L97 HydrophobicContact CG1-CD1 4.22Å; I22-L97 HydrophobicContact CG2-CD1 4.22Å; I22-I223 HydrophobicContact CD1-CD1 3.85Å; I22-I223 HydrophobicContact CD1-CG1 4.22Å; I22-I223 HydrophobicContact CD1-CG2 4.11Å
23	K	98.5	Very high	98.5	Very high	81 Å²	81	23.1 Å²	23.1	35%	0.352	12%	0.123	S	C	.	.	H	α-helix	trans	-61.9	-43.2	176	-73	172.7	-178.8	174.6	0	112	T19 E20 L21 F25 G26	T19-K23 HydrophobicContact CG2-CD 4.25Å; T19-K23 WeakPolarHBondContact O-CG 3.36Å; T19-K23 PolarHBondContact O-N 2.75Å; T19-K23 VanDerWaalsContact O-N 3.11Å; E20-K23 PolarHBondContact O-N 3.4Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.15Å; K23-F25 VanDerWaalsContact C-N 3.31Å; K23-F25 PolarHBondContact O-N 3.32Å; K23-G26 WeakPolarHBondContact O-CA 3.42Å; K23-G26 PolarHBondContact O-N 2.92Å
24	G	98.3	Very high	98.6	Very high	30 Å²	30	25.5 Å²	25.5	31%	0.309	13%	0.131	S	C	.	.	H	α-helix	trans	-63.9	-33.9	178.5	0	0	0	0	0	113.3	E20 L21 G26 V139	E20-G24 PolarHBondContact O-N 2.9Å; L21-G24 PolarHBondContact O-N 3.03Å; L21-G24 VanDerWaalsContact O-N 3.1Å; G24-G26 PolarHBondContact O-N 2.81Å; G24-V139 WeakPolarHBondContact O-CG2 3.42Å
25	F	98.6	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.5	172.2	-55.2	-32.6	0	0	0	113.4	L21 I22 K23 T90 I93 L111 I136 V139	L21-F25 HydrophobicContact CB-CE2 4.04Å; L21-F25 HydrophobicContact CB-CZ 4.09Å; L21-F25 HydrophobicContact CD2-CZ 4.29Å; L21-F25 VanDerWaalsContact O-CD2 3.25Å; L21-F25 WeakPolarHBondContact O-CD2 3.35Å; L21-F25 WeakPolarHBondContact O-CG 3.28Å; L21-F25 PolarHBondContact O-N 2.67Å; I22-F25 PolarHBondContact O-N 3.21Å; K23-F25 VanDerWaalsContact C-N 3.31Å; K23-F25 PolarHBondContact O-N 3.32Å; F25-T90 HydrophobicContact CE2-CG2 4.28Å; F25-T90 HydrophobicContact CZ-CG2 3.87Å; F25-I93 HydrophobicContact CD2-CG2 4Å; F25-I93 HydrophobicContact CE2-CB 4.28Å; F25-I93 HydrophobicContact CE2-CD1 4.07Å; F25-I93 HydrophobicContact CE2-CG2 3.82Å; F25-L111 HydrophobicContact CB-CD1 3.92Å; F25-L111 HydrophobicContact CB-CD2 4.16Å; F25-L111 HydrophobicContact CB-CG 3.98Å; F25-I136 HydrophobicContact CD1-CB 4.26Å; F25-I136 HydrophobicContact CD1-CG1 4.05Å; F25-I136 HydrophobicContact CD1-CG2 4.18Å; F25-I136 HydrophobicContact CE1-CB 4.18Å; F25-I136 HydrophobicContact CE1-CG1 4.42Å; F25-I136 HydrophobicContact CE1-CG2 3.7Å; F25-I136 HydrophobicContact CZ-CG2 4.18Å; F25-V139 HydrophobicContact CD1-CB 3.87Å; F25-V139 HydrophobicContact CD1-CG1 3.65Å; F25-V139 HydrophobicContact CD1-CG2 4.37Å; F25-V139 HydrophobicContact CE1-CB 3.7Å; F25-V139 HydrophobicContact CE1-CG1 3.46Å; F25-V139 VanDerWaalsContact CE1-CG1 3.46Å; F25-V139 HydrophobicContact CZ-CG1 4.25Å
26	G	98.5	Very high	98.4	Very high	26 Å²	26	33.8 Å²	33.8	27%	0.268	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-0.7	179.4	0	0	0	0	0	114.4	K23 G24 L107	K23-G26 WeakPolarHBondContact O-CA 3.42Å; K23-G26 PolarHBondContact O-N 2.92Å; G24-G26 PolarHBondContact O-N 2.81Å; G26-L107 CarbonylContact C-O 3.55Å
27	C	98.8	Very high	98.3	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	18%	0.175	C	C	.	.			trans	-72.8	135.4	179.1	-174.2	0	0	0	0	110.9	I22 L97 H106 L107 L111	I22-C27 HydrophobicContact CG2-CB 3.66Å; I22-C27 WeakPolarHBondContact O-CB 3.26Å; I22-C27 PolarHBondContact O-N 2.64Å; I22-C27 VanDerWaalsContact O-N 3.17Å; C27-L97 HydrophobicContact CB-CD1 4.06Å; C27-H106 CarbonylContact C-O 3.59Å; C27-H106 VanDerWaalsContact CA-O 3.32Å; C27-H106 WeakPolarHBondContact CA-O 3.48Å; C27-L107 WeakPolarHBondContact CA-O 3.45Å; C27-L107 PolarHBondContact N-O 3.39Å; C27-L111 HydrophobicContact CB-CD1 3.97Å
28	R	98.6	Very high	98.2	Very high	170 Å²	170	37.4 Å²	37.4	64%	0.642	18%	0.183	S	C	*	.	B	Isolated β-bridge	trans	-123	156.8	179	-61.4	-172.6	-66.3	-106.3	1.6	111.2	A30 H106	R28-A30 PolarHBondContact O-N 2.66Å; R28-H106 HydrophobicContact CB-CB 4.37Å; R28-H106 PolarHBondContact N-O 2.87Å; R28-H106 PolarHBondContact O-N 3.2Å
29	G	98.4	Very high	98	Very high	11 Å²	11	42.4 Å²	42.4	11%	0.113	21%	0.206	C	C	.	.	S	Bend	trans	74.1	7.2	178.9	0	0	0	0	0	114.6	D104 S225 D226	G29-D104 WeakPolarHBondContact CA-O 3.48Å; G29-S225 WeakPolarHBondContact O-CA 3.26Å; G29-D226 PolarHBondContact O-N 2.87Å
30	A	98.8	Very high	97.8	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.017	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.2	171.3	0	0	0	0	0	110.6	I22 R28 V105 I223 V224	I22-A30 HydrophobicContact CG2-CB 4.16Å; R28-A30 PolarHBondContact O-N 2.66Å; A30-V105 HydrophobicContact CB-CG1 4.43Å; A30-V105 HydrophobicContact CB-CG2 4.31Å; A30-I223 HydrophobicContact CB-CG2 4.21Å; A30-V224 WeakPolarHBondContact CA-O 3.49Å
31	Q	98.7	Very high	97.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	171.2	167.8	76.9	-176.4	56.8	0	0	110.6	T19 E33 I223 V224 R227 E273	T19-Q31 HydrophobicContact CG2-CB 4.14Å; Q31-E33 PolarHBondContact NE2-OE1 3.09Å; Q31-I223 WeakPolarHBondContact O-CA 3.2Å; Q31-V224 HydrophobicContact CG-CG2 3.76Å; Q31-V224 PolarHBondContact N-O 2.64Å; Q31-V224 PolarHBondContact O-N 3.31Å; Q31-R227 HydrophobicContact CG-CG 4.05Å; Q31-E273 PolarHBondContact NE2-OE2 3.14Å
32	V	98.8	Very high	97.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.3	178.7	-174	0	0	0	0	110.3	P15 F18 T19 I22 M221 A222 I223	P15-V32 HydrophobicContact CB-CG1 4.38Å; P15-V32 WeakPolarHBondContact CB-O 3.25Å; F18-V32 HydrophobicContact CB-CB 4.09Å; F18-V32 HydrophobicContact CB-CG1 4.07Å; F18-V32 HydrophobicContact CB-CG2 3.84Å; T19-V32 PolarHBondContact OG1-N 3.12Å; T19-V32 PolarHBondContact OG1-O 3.49Å; I22-V32 HydrophobicContact CD1-CG2 3.4Å; I22-V32 VanDerWaalsContact CD1-CG2 3.4Å; V32-M221 HydrophobicContact CG1-CB 3.59Å; V32-M221 HydrophobicContact CG1-CG 4.03Å; V32-M221 HydrophobicContact CG1-SD 3.92Å; V32-A222 CarbonylContact C-O 3.52Å; V32-A222 VanDerWaalsContact CA-O 3.29Å; V32-A222 WeakPolarHBondContact CA-O 3.25Å; V32-I223 HydrophobicContact CG2-CG1 4.08Å
33	E	98.6	Very high	97.3	Very high	24 Å²	24	48 Å²	48	11%	0.112	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.3	171.5	-66.9	-61.1	136.7	0	0	110.2	Q31 L46 M221 A222 V224 K276	Q31-E33 PolarHBondContact NE2-OE1 3.09Å; E33-L46 HydrophobicContact CB-CD1 3.91Å; E33-L46 HydrophobicContact CB-CD2 3.97Å; E33-L46 HydrophobicContact CG-CD2 3.68Å; E33-M221 CarbonylContact O-C 3.6Å; E33-M221 WeakPolarHBondContact O-CA 3.38Å; E33-A222 PolarHBondContact N-O 3.18Å; E33-A222 PolarHBondContact O-N 2.97Å; E33-V224 HydrophobicContact CG-CG2 3.9Å; E33-K276 IonicContact OE1-NZ 2.66Å; E33-K276 PolarHBondContact OE1-NZ 3.04Å; E33-K276 IonicContact OE2-NZ 3.36Å; E33-K276 PolarHBondContact OE2-NZ 3.01Å
34	E	98.4	Very high	97.2	Very high	74 Å²	74	49.7 Å²	49.7	35%	0.346	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.4	175.2	-175.4	172.2	-118.1	0	0	110.6	P15 W36 N219	P15-E34 HydrophobicContact CB-CB 4.4Å; P15-E34 HydrophobicContact CG-CB 3.99Å; E34-W36 WeakPolarHBondContact O-CZ3 3.47Å; E34-N219 PolarHBondContact OE1-ND2 3.27Å
35	I	98.1	Very high	97	Very high	12 Å²	12	55.4 Å²	55.4	6%	0.062	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111	175.2	-52.4	-62.3	0	0	0	108.3	S37 F43 L46 L220 A222	I35-S37 WeakPolarHBondContact CG2-O 3.49Å; I35-F43 HydrophobicContact CD1-CD1 4.01Å; I35-F43 HydrophobicContact CD1-CE1 3.97Å; I35-F43 HydrophobicContact CG1-CD1 4.46Å; I35-F43 HydrophobicContact CG1-CE1 3.93Å; I35-F43 HydrophobicContact CG2-CE1 3.94Å; I35-F43 HydrophobicContact CG2-CE2 4.3Å; I35-F43 HydrophobicContact CG2-CZ 3.71Å; I35-L46 HydrophobicContact CD1-CD1 3.37Å; I35-L220 HydrophobicContact CB-CB 4.11Å; I35-L220 HydrophobicContact CB-CD2 3.93Å; I35-L220 HydrophobicContact CB-CG 3.98Å; I35-L220 WeakPolarHBondContact CB-O 3.5Å; I35-L220 HydrophobicContact CG1-CD2 4.21Å; I35-L220 HydrophobicContact CG1-CG 4.12Å; I35-L220 HydrophobicContact CG2-CD2 3.92Å; I35-L220 PolarHBondContact N-O 3.44Å; I35-A222 HydrophobicContact CD1-CB 3.99Å; I35-A222 HydrophobicContact CG1-CB 4.1Å
36	W	94.8	Very high	96.9	Very high	193 Å²	193	56.3 Å²	56.3	73%	0.731	27%	0.268	S	S	*	.	S	Bend	trans	-91.6	-12.5	-180	58	84	0	0	0	113.7	E34 N42	E34-W36 WeakPolarHBondContact O-CZ3 3.47Å; W36-N42 VanDerWaalsContact CE2-OD1 3.24Å; W36-N42 WeakPolarHBondContact CZ2-OD1 3.46Å; W36-N42 PolarHBondContact NE1-OD1 3.43Å
37	S	95.8	Very high	96.8	Very high	45 Å²	45	57.4 Å²	57.4	32%	0.315	27%	0.265	S	S	.	.			trans	-151.6	142.8	176.6	168.6	0	0	0	0	110.6	I35 E39 N42	I35-S37 WeakPolarHBondContact CG2-O 3.49Å; S37-E39 PolarHBondContact O-N 3.23Å; S37-E39 WeakPolarHBondContact OG-CG 3.49Å; S37-E39 PolarHBondContact OG-N 3.35Å; S37-N42 WeakPolarHBondContact CB-ND2 3.32Å; S37-N42 PolarHBondContact O-ND2 2.71Å; S37-N42 VanDerWaalsContact O-ND2 3.14Å
38	L	96.1	Very high	96.8	Very high	33 Å²	33	59.2 Å²	59.2	17%	0.173	28%	0.277	C	S	.	.			trans	-77.4	5.6	177.1	-62.2	177	0	0	0	112.9	F43 R201 I204 E205 I208 L220	L38-F43 HydrophobicContact CD2-CE2 4.49Å; L38-F43 HydrophobicContact CD2-CZ 3.99Å; L38-R201 VanDerWaalsContact O-CZ 3.28Å; L38-R201 PolarHBondContact O-NE 3.37Å; L38-R201 PolarHBondContact O-NH2 2.96Å; L38-I204 HydrophobicContact CD1-CB 4.37Å; L38-I204 HydrophobicContact CD1-CG2 3.88Å; L38-I204 HydrophobicContact CD2-CD1 4.49Å; L38-I204 HydrophobicContact CD2-CG2 4.08Å; L38-E205 HydrophobicContact CD1-CG 3.63Å; L38-I208 HydrophobicContact CD1-CD1 4.21Å; L38-L220 HydrophobicContact CD2-CD2 3.51Å
39	E	95.5	Very high	96.8	Very high	105 Å²	105	51.6 Å²	51.6	49%	0.491	25%	0.249	S	C	.	.	S	Bend	trans	-64.2	141.7	174	-66.6	-62.1	166.1	0	0	111.8	S37 E41 N42	S37-E39 PolarHBondContact O-N 3.23Å; S37-E39 WeakPolarHBondContact OG-CG 3.49Å; S37-E39 PolarHBondContact OG-N 3.35Å; E39-E41 HydrophobicContact CB-CG 4.11Å; E39-E41 PolarHBondContact O-N 2.98Å; E39-E41 VanDerWaalsContact O-N 3.11Å; E39-N42 PolarHBondContact O-N 3.13Å; E39-N42 VanDerWaalsContact O-N 3.17Å; E39-N42 PolarHBondContact O-ND2 3.34Å
40	P	94.7	Very high	96.8	Very high	62 Å²	62	51.6 Å²	51.6	40%	0.403	25%	0.246	S	C	.	.	H	α-helix	trans	-54.2	-35.8	-172.6	-26.6	33.4	0	0	0	115	N42 F43 E44	P40-N42 PolarHBondContact O-N 2.73Å; P40-F43 PolarHBondContact O-N 3.21Å; P40-E44 PolarHBondContact O-N 3.18Å
41	E	94	Very high	96.8	Very high	126 Å²	126	51.5 Å²	51.5	59%	0.589	25%	0.246	S	C	*	.	H	α-helix	trans	-58.3	-28.5	-177.6	57.6	-172.7	-148.4	0	0	114.2	E39 F43	E39-E41 HydrophobicContact CB-CG 4.11Å; E39-E41 PolarHBondContact O-N 2.98Å; E39-E41 VanDerWaalsContact O-N 3.11Å; E41-F43 VanDerWaalsContact C-N 3.31Å
42	N	95.4	Very high	96.8	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.048	25%	0.245	C	C	.	.	H	α-helix	trans	-74.5	-26.6	178.6	-58.4	-60.5	0	0	0	111.7	W36 S37 E39 P40 L46	W36-N42 VanDerWaalsContact CE2-OD1 3.24Å; W36-N42 WeakPolarHBondContact CZ2-OD1 3.46Å; W36-N42 PolarHBondContact NE1-OD1 3.43Å; S37-N42 WeakPolarHBondContact CB-ND2 3.32Å; S37-N42 PolarHBondContact O-ND2 2.71Å; S37-N42 VanDerWaalsContact O-ND2 3.14Å; E39-N42 PolarHBondContact O-N 3.13Å; E39-N42 VanDerWaalsContact O-N 3.17Å; E39-N42 PolarHBondContact O-ND2 3.34Å; P40-N42 PolarHBondContact O-N 2.73Å; N42-L46 WeakPolarHBondContact O-CD1 3.36Å; N42-L46 WeakPolarHBondContact O-CG 3.42Å
43	F	96.5	Very high	96.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-92.1	-33.4	178	-58.9	-83.8	0	0	0	112.6	I35 L38 P40 E41 K45 L46 K47 L52 I197 R201 L220	I35-F43 HydrophobicContact CD1-CD1 4.01Å; I35-F43 HydrophobicContact CD1-CE1 3.97Å; I35-F43 HydrophobicContact CG1-CD1 4.46Å; I35-F43 HydrophobicContact CG1-CE1 3.93Å; I35-F43 HydrophobicContact CG2-CE1 3.94Å; I35-F43 HydrophobicContact CG2-CE2 4.3Å; I35-F43 HydrophobicContact CG2-CZ 3.71Å; L38-F43 HydrophobicContact CD2-CE2 4.49Å; L38-F43 HydrophobicContact CD2-CZ 3.99Å; P40-F43 PolarHBondContact O-N 3.21Å; E41-F43 VanDerWaalsContact C-N 3.31Å; F43-K45 VanDerWaalsContact C-N 3.28Å; F43-K45 PolarHBondContact O-N 2.96Å; F43-L46 WeakPolarHBondContact O-CA 3.5Å; F43-L46 WeakPolarHBondContact O-CB 3.5Å; F43-L46 PolarHBondContact O-N 3.39Å; F43-K47 PolarHBondContact O-N 2.89Å; F43-L52 HydrophobicContact CE1-CD1 4.14Å; F43-L52 HydrophobicContact CE1-CD2 4.14Å; F43-I197 HydrophobicContact CB-CB 4.36Å; F43-I197 HydrophobicContact CB-CG1 4.16Å; F43-I197 HydrophobicContact CB-CG2 3.59Å; F43-I197 HydrophobicContact CD1-CD1 3.96Å; F43-I197 HydrophobicContact CD1-CG1 4.3Å; F43-I197 HydrophobicContact CD1-CG2 3.68Å; F43-I197 HydrophobicContact CD2-CG2 3.58Å; F43-I197 HydrophobicContact CE1-CD1 4.47Å; F43-I197 HydrophobicContact CE1-CG2 4.17Å; F43-I197 HydrophobicContact CE2-CG2 4.07Å; F43-I197 HydrophobicContact CG-CB 4.47Å; F43-I197 HydrophobicContact CG-CG1 4.42Å; F43-I197 HydrophobicContact CG-CG2 3.35Å; F43-I197 HydrophobicContact CZ-CG2 4.34Å; F43-R201 HydrophobicContact CE2-CG 4.09Å; F43-R201 HydrophobicContact CZ-CG 4.48Å; F43-L220 HydrophobicContact CE1-CD2 4.28Å; F43-L220 HydrophobicContact CZ-CD2 4.1Å
44	E	96	Very high	96.8	Very high	116 Å²	116	50.4 Å²	50.4	54%	0.542	24%	0.241	S	C	.	.	H	α-helix	trans	-60.9	-39.9	-176.5	-163	59.8	-150.9	0	0	111.8	P40 L46 K47	P40-E44 PolarHBondContact O-N 3.18Å; E44-L46 PolarHBondContact O-N 3.19Å; E44-K47 IonicContact OE1-NZ 3.59Å; E44-K47 PolarHBondContact OE1-NZ 2.9Å; E44-K47 WeakPolarHBondContact OE2-CE 3.45Å; E44-K47 IonicContact OE2-NZ 3.68Å; E44-K47 PolarHBondContact OE2-NZ 3.05Å
45	K	93.9	Very high	96.8	Very high	151 Å²	151	47.9 Å²	47.9	66%	0.657	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.6	175.7	-65.2	175.5	-174.8	171.2	0	112.7	F43 R227	F43-K45 VanDerWaalsContact C-N 3.28Å; F43-K45 PolarHBondContact O-N 2.96Å; K45-R227 VanDerWaalsContact O-CZ 3.23Å; K45-R227 PolarHBondContact O-NH1 2.92Å; K45-R227 PolarHBondContact O-NH2 3.23Å
46	L	97.3	Very high	96.7	Very high	18 Å²	18	47.3 Å²	47.3	9%	0.094	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-11.8	-171.1	-68.2	-174.8	0	0	0	114.1	E33 I35 N42 F43 E44 P48 V49 A222 V224 R227	E33-L46 HydrophobicContact CB-CD1 3.91Å; E33-L46 HydrophobicContact CB-CD2 3.97Å; E33-L46 HydrophobicContact CG-CD2 3.68Å; I35-L46 HydrophobicContact CD1-CD1 3.37Å; N42-L46 WeakPolarHBondContact O-CD1 3.36Å; N42-L46 WeakPolarHBondContact O-CG 3.42Å; F43-L46 WeakPolarHBondContact O-CA 3.5Å; F43-L46 WeakPolarHBondContact O-CB 3.5Å; F43-L46 PolarHBondContact O-N 3.39Å; E44-L46 PolarHBondContact O-N 3.19Å; L46-P48 CarbonylContact O-C 3.23Å; L46-V49 HydrophobicContact CB-CG2 4.07Å; L46-A222 HydrophobicContact CD1-CB 4.29Å; L46-V224 HydrophobicContact CB-CG1 3.89Å; L46-V224 HydrophobicContact CD1-CG1 4.49Å; L46-R227 PolarHBondContact O-NH1 2.96Å
47	K	96.6	Very high	96.8	Very high	49 Å²	49	40 Å²	40	21%	0.213	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-55.4	142.6	176.8	-74.9	176.7	175	168.2	0	111.5	F43 E44 V49 D195	F43-K47 PolarHBondContact O-N 2.89Å; E44-K47 IonicContact OE1-NZ 3.59Å; E44-K47 PolarHBondContact OE1-NZ 2.9Å; E44-K47 WeakPolarHBondContact OE2-CE 3.45Å; E44-K47 IonicContact OE2-NZ 3.68Å; E44-K47 PolarHBondContact OE2-NZ 3.05Å; K47-V49 HydrophobicContact CG-CG2 4.41Å; K47-D195 VanDerWaalsContact CE-OD1 3.25Å; K47-D195 WeakPolarHBondContact CE-OD1 3.46Å; K47-D195 VanDerWaalsContact NZ-CG 3.3Å; K47-D195 IonicContact NZ-OD1 3.36Å; K47-D195 PolarHBondContact NZ-OD1 2.87Å; K47-D195 IonicContact NZ-OD2 3.21Å
48	P	97.6	Very high	96.8	Very high	41 Å²	41	42.7 Å²	42.7	27%	0.266	20%	0.203	S	C	.	.	S	Bend	cis	-73.1	133	-4.4	31.4	-34.8	0	0	0	112.2	L46 S225	L46-P48 CarbonylContact O-C 3.23Å; P48-S225 WeakPolarHBondContact CG-OG 3.47Å; P48-S225 PolarHBondContact O-N 3.09Å
49	V	98.3	Very high	96.6	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.055	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.8	175.6	-172.6	0	0	0	0	108.2	L46 K47 L52 W196 I197 A222 V224	L46-V49 HydrophobicContact CB-CG2 4.07Å; K47-V49 HydrophobicContact CG-CG2 4.41Å; V49-L52 HydrophobicContact CG1-CD2 4.03Å; V49-W196 HydrophobicContact CB-CZ2 4.22Å; V49-W196 HydrophobicContact CG1-CZ2 3.86Å; V49-W196 PolarHBondContact O-NE1 3.09Å; V49-I197 HydrophobicContact CB-CD1 4.09Å; V49-I197 HydrophobicContact CG1-CD1 4.08Å; V49-I197 HydrophobicContact CG2-CD1 4.25Å; V49-I197 HydrophobicContact CG2-CG1 4.44Å; V49-A222 HydrophobicContact CG1-CB 4.02Å; V49-V224 HydrophobicContact CG1-CG1 4.33Å; V49-V224 HydrophobicContact CG2-CG1 4.21Å
50	H	98.6	Very high	96.4	Very high	11 Å²	11	44 Å²	44	5%	0.051	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-25.6	-173.6	-55.3	-50.2	0	0	0	112.8	V96 H102 V105 I223 V224 S225	H50-V96 HydrophobicContact CB-CG1 4.46Å; H50-H102 AromaticContact CE1-CG 3.47Å; H50-H102 VanDerWaalsContact CE1-CG 3.47Å; H50-H102 AromaticContact CE1-ND1 3.56Å; H50-H102 AromaticContact ND1-CG 3.89Å; H50-V105 VanDerWaalsContact CD2-CG2 3.47Å; H50-V105 WeakPolarHBondContact CD2-CG2 3.49Å; H50-I223 HydrophobicContact CB-CG2 4.42Å; H50-I223 PolarHBondContact N-O 3.46Å; H50-V224 VanDerWaalsContact CD2-C 3.41Å; H50-S225 PolarHBondContact CD2-N 3.42Å; H50-S225 PolarHBondContact CE1-OG 3.26Å; H50-S225 PolarHBondContact NE2-N 3.28Å; H50-S225 VanDerWaalsContact NE2-N 3.11Å; H50-S225 PolarHBondContact NE2-OG 3.47Å
51	G	98.8	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	164.1	174.5	0	0	0	0	0	111	Y168 I223	G51-Y168 CarbonylContact C-O 3.58Å; G51-Y168 VanDerWaalsContact CA-O 3.29Å; G51-Y168 WeakPolarHBondContact CA-O 3.43Å; G51-I223 PolarHBondContact N-O 3.27Å; G51-I223 PolarHBondContact O-N 3.1Å
52	L	98.9	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144	173.2	-63.4	178	0	0	0	109.4	F43 V49 S167 Y168 W196 I197 V200 I204 L220 M221 A222	F43-L52 HydrophobicContact CE1-CD1 4.14Å; F43-L52 HydrophobicContact CE1-CD2 4.14Å; V49-L52 HydrophobicContact CG1-CD2 4.03Å; L52-S167 CarbonylContact O-C 3.54Å; L52-S167 VanDerWaalsContact O-CA 3.24Å; L52-S167 WeakPolarHBondContact O-CA 3.15Å; L52-Y168 HydrophobicContact CB-CD2 4.43Å; L52-Y168 PolarHBondContact N-O 2.99Å; L52-Y168 PolarHBondContact O-N 3.37Å; L52-W196 HydrophobicContact CB-CH2 4.33Å; L52-W196 HydrophobicContact CD1-CH2 4.24Å; L52-W196 HydrophobicContact CD1-CZ3 4.28Å; L52-W196 HydrophobicContact CG-CH2 3.71Å; L52-W196 HydrophobicContact CG-CZ3 4.24Å; L52-I197 HydrophobicContact CD1-CD1 4.32Å; L52-V200 HydrophobicContact CD1-CG1 3.55Å; L52-V200 HydrophobicContact CD1-CG2 4.27Å; L52-I204 HydrophobicContact CD1-CD1 3.9Å; L52-L220 HydrophobicContact CB-CD1 3.94Å; L52-L220 HydrophobicContact CD1-CD1 4.22Å; L52-L220 HydrophobicContact CD1-CD2 4.39Å; L52-L220 HydrophobicContact CG-CD1 4.46Å; L52-M221 CarbonylContact C-O 3.56Å; L52-M221 VanDerWaalsContact CA-O 3.28Å; L52-M221 WeakPolarHBondContact CA-O 3.49Å; L52-A222 HydrophobicContact CD2-CB 3.52Å
53	I	98.9	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.3	171.2	-64.8	-178.2	0	0	0	107.2	F18 A92 I93 F165 V166 M221 I223	F18-I53 HydrophobicContact CD1-CD1 3.67Å; F18-I53 HydrophobicContact CE1-CD1 3.71Å; F18-I53 HydrophobicContact CE1-CG2 3.94Å; I53-A92 HydrophobicContact CD1-CB 4.06Å; I53-A92 HydrophobicContact CG1-CB 4.1Å; I53-A92 HydrophobicContact CG2-CB 4.01Å; I53-I93 HydrophobicContact CD1-CG1 3.71Å; I53-F165 HydrophobicContact CG2-CB 4.32Å; I53-F165 HydrophobicContact CG2-CD1 3.56Å; I53-F165 HydrophobicContact CG2-CE1 4.25Å; I53-F165 HydrophobicContact CG2-CG 4.31Å; I53-V166 CarbonylContact C-O 3.51Å; I53-V166 WeakPolarHBondContact CA-O 3.44Å; I53-M221 HydrophobicContact CB-CB 4.45Å; I53-M221 HydrophobicContact CG2-CE 4.32Å; I53-M221 PolarHBondContact N-O 2.77Å; I53-M221 PolarHBondContact O-N 3Å; I53-I223 HydrophobicContact CD1-CD1 4Å; I53-I223 HydrophobicContact CD1-CG1 4.29Å
54	F	98.7	Very high	95.9	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.013	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.8	-178.2	-175.6	-125.5	0	0	0	110.5	F56 F165 V166 Y168 I204 R207 I208 F218 N219 L220	F54-F56 AromaticContact CD1-CD1 3.54Å; F54-F56 HydrophobicContact CD1-CD1 3.54Å; F54-F56 HydrophobicContact CD1-CE1 4.2Å; F54-F56 HydrophobicContact CD1-CG 4.48Å; F54-F56 HydrophobicContact CE1-CB 3.99Å; F54-F56 AromaticContact CE1-CD1 3.68Å; F54-F56 HydrophobicContact CE1-CD1 3.68Å; F54-F56 HydrophobicContact CE1-CG 4.22Å; F54-F56 HydrophobicContact CG-CD1 4.45Å; F54-F56 HydrophobicContact CZ-CB 4.35Å; F54-F165 WeakPolarHBondContact O-CA 3.5Å; F54-V166 HydrophobicContact CB-CG2 4.16Å; F54-V166 PolarHBondContact N-O 2.91Å; F54-V166 PolarHBondContact O-N 3.43Å; F54-Y168 HydrophobicContact CB-CD2 4.22Å; F54-Y168 HydrophobicContact CB-CE2 3.69Å; F54-Y168 HydrophobicContact CD1-CE2 4.18Å; F54-Y168 HydrophobicContact CG-CE2 4.2Å; F54-I204 HydrophobicContact CD2-CG2 4.28Å; F54-I204 HydrophobicContact CE1-CG2 4.5Å; F54-I204 HydrophobicContact CE2-CG2 3.93Å; F54-I204 HydrophobicContact CZ-CG2 4.05Å; F54-R207 HydrophobicContact CE1-CB 4.33Å; F54-R207 HydrophobicContact CE1-CG 3.78Å; F54-I208 HydrophobicContact CZ-CD1 4.44Å; F54-I208 HydrophobicContact CZ-CG1 4.02Å; F54-F218 HydrophobicContact CE1-CD1 4.4Å; F54-F218 HydrophobicContact CE2-CB 3.97Å; F54-F218 HydrophobicContact CE2-CD1 4.16Å; F54-F218 HydrophobicContact CE2-CG 4.39Å; F54-F218 HydrophobicContact CZ-CB 4.24Å; F54-F218 AromaticContact CZ-CD1 3.57Å; F54-F218 HydrophobicContact CZ-CD1 3.57Å; F54-F218 HydrophobicContact CZ-CE1 4.29Å; F54-F218 HydrophobicContact CZ-CG 4.17Å; F54-N219 WeakPolarHBondContact CD2-O 3.4Å; F54-L220 HydrophobicContact CB-CD1 3.88Å; F54-L220 HydrophobicContact CD2-CB 4.15Å; F54-L220 HydrophobicContact CD2-CD1 3.91Å; F54-L220 HydrophobicContact CG-CD1 4.31Å
55	L	98.4	Very high	95.7	Very high	20 Å²	20	45.7 Å²	45.7	11%	0.105	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.2	172.9	179.9	138.7	0	0	0	110.5	F163 H164 F165 F218 N219	L55-F163 HydrophobicContact CD1-CB 4.11Å; L55-F163 HydrophobicContact CD2-CB 4.33Å; L55-F163 HydrophobicContact CD2-CD1 3.74Å; L55-F163 HydrophobicContact CD2-CG 4.35Å; L55-F163 HydrophobicContact CG-CB 4.28Å; L55-F163 HydrophobicContact CG-CD1 4.49Å; L55-H164 VanDerWaalsContact CA-O 3.3Å; L55-H164 WeakPolarHBondContact CA-O 3.36Å; L55-F165 HydrophobicContact CB-CD1 3.74Å; L55-F165 HydrophobicContact CB-CE1 3.66Å; L55-F165 HydrophobicContact CB-CZ 4.43Å; L55-F165 HydrophobicContact CD1-CD1 3.92Å; L55-F165 HydrophobicContact CD1-CD2 4.23Å; L55-F165 HydrophobicContact CD1-CE1 3.4Å; L55-F165 VanDerWaalsContact CD1-CE1 3.4Å; L55-F165 HydrophobicContact CD1-CE2 3.72Å; L55-F165 HydrophobicContact CD1-CG 4.33Å; L55-F165 HydrophobicContact CD1-CZ 3.28Å; L55-F165 HydrophobicContact CG-CD1 4.36Å; L55-F165 HydrophobicContact CG-CE1 4.14Å; L55-F165 HydrophobicContact CG-CZ 4.45Å; L55-F218 VanDerWaalsContact O-CA 3.29Å; L55-F218 WeakPolarHBondContact O-CA 3.38Å; L55-N219 HydrophobicContact CB-CB 4.18Å; L55-N219 HydrophobicContact CD2-CB 4.44Å; L55-N219 PolarHBondContact N-O 3.3Å; L55-N219 PolarHBondContact O-N 2.87Å; L55-N219 VanDerWaalsContact O-N 3.12Å
56	F	97.1	Very high	95.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.5	175	55	-90.3	0	0	0	110.7	F54 W58 F163 H164 V166 Y211 F218	F54-F56 AromaticContact CD1-CD1 3.54Å; F54-F56 HydrophobicContact CD1-CD1 3.54Å; F54-F56 HydrophobicContact CD1-CE1 4.2Å; F54-F56 HydrophobicContact CD1-CG 4.48Å; F54-F56 HydrophobicContact CE1-CB 3.99Å; F54-F56 AromaticContact CE1-CD1 3.68Å; F54-F56 HydrophobicContact CE1-CD1 3.68Å; F54-F56 HydrophobicContact CE1-CG 4.22Å; F54-F56 HydrophobicContact CG-CD1 4.45Å; F54-F56 HydrophobicContact CZ-CB 4.35Å; F56-W58 PolarHBondContact O-N 3.42Å; F56-F163 WeakPolarHBondContact O-CA 3.45Å; F56-H164 HydrophobicContact CE2-CB 4.19Å; F56-H164 HydrophobicContact CZ-CB 4.27Å; F56-H164 AromaticContact CZ-CD2 3.88Å; F56-H164 PolarHBondContact N-O 2.99Å; F56-H164 VanDerWaalsContact N-O 3.17Å; F56-H164 PolarHBondContact O-N 2.66Å; F56-V166 HydrophobicContact CE1-CB 4.29Å; F56-V166 HydrophobicContact CE1-CG1 3.62Å; F56-V166 HydrophobicContact CE1-CG2 3.73Å; F56-V166 HydrophobicContact CZ-CG1 3.77Å; F56-Y211 WeakPolarHBondContact CD2-OH 3.43Å; F56-F218 HydrophobicContact CB-CD1 3.69Å; F56-F218 HydrophobicContact CB-CE1 3.82Å
57	K	96.2	Very high	95.8	Very high	40 Å²	40	42.7 Å²	42.7	17%	0.174	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	115.4	171	-171	176.6	96.2	76.5	0	110	D161 A162 F163 Y211 E215	K57-D161 HydrophobicContact CD-CB 4.28Å; K57-D161 WeakPolarHBondContact CD-OD1 3.32Å; K57-D161 HydrophobicContact CG-CB 4.34Å; K57-D161 IonicContact NZ-OD1 2.77Å; K57-D161 PolarHBondContact NZ-OD1 2.91Å; K57-A162 CarbonylContact C-O 3.52Å; K57-A162 WeakPolarHBondContact CA-O 3.37Å; K57-F163 HydrophobicContact CB-CD1 4.23Å; K57-F163 HydrophobicContact CB-CE1 3.95Å; K57-F163 HydrophobicContact CG-CE1 4.4Å; K57-Y211 HydrophobicContact CB-CE1 4.05Å; K57-Y211 WeakPolarHBondContact O-CE1 3.45Å; K57-Y211 PolarHBondContact O-OH 3.4Å; K57-E215 WeakPolarHBondContact CE-OE2 3.39Å
58	W	95.2	Very high	95.9	Very high	101 Å²	101	41.6 Å²	41.6	38%	0.383	25%	0.254	S	S	.	.			trans	-65.9	138.8	-176.2	-172.2	83.8	0	0	0	111.4	F56 P60 A162 H164	F56-W58 PolarHBondContact O-N 3.42Å; W58-P60 HydrophobicContact CH2-CB 3.65Å; W58-P60 HydrophobicContact CZ2-CB 4.47Å; W58-P60 HydrophobicContact CZ3-CB 3.78Å; W58-P60 HydrophobicContact CZ3-CG 4.17Å; W58-A162 HydrophobicContact CB-CB 4.26Å; W58-A162 PolarHBondContact N-O 2.98Å; W58-H164 HydrophobicContact CB-CB 4.03Å; W58-H164 HydrophobicContact CG-CB 4.36Å
59	Q	92.6	Very high	95.9	Very high	65 Å²	65	39.7 Å²	39.7	30%	0.304	24%	0.242	S	C	.	.			trans	-128.7	126	176.2	-65.1	-178.5	-4.9	0	0	109.2	Y211	Q59-Y211 HydrophobicContact CG-CE1 4.2Å
60	P	91.8	Very high	95.8	Very high	102 Å²	102	46.4 Å²	46.4	66%	0.662	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	146.5	175.9	27.4	-33.3	0	0	0	110.8	W58 E62	W58-P60 HydrophobicContact CH2-CB 3.65Å; W58-P60 HydrophobicContact CZ2-CB 4.47Å; W58-P60 HydrophobicContact CZ3-CB 3.78Å; W58-P60 HydrophobicContact CZ3-CG 4.17Å; P60-E62 VanDerWaalsContact C-N 3.31Å; P60-E62 PolarHBondContact O-N 2.96Å
61	G	91.4	Very high	95.7	Very high	81 Å²	81	49.2 Å²	49.2	84%	0.835	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	6	177	0	0	0	0	0	114.9	E63	G61-E63 PolarHBondContact O-N 3.47Å
62	E	90.9	Very high	95.6	Very high	22 Å²	22	53.4 Å²	53.4	10%	0.103	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-67.2	118.9	177.8	-163.5	-174.1	164.8	0	0	111.8	P60 R182 R207 K210	P60-E62 VanDerWaalsContact C-N 3.31Å; P60-E62 PolarHBondContact O-N 2.96Å; E62-R182 VanDerWaalsContact O-CZ 3.28Å; E62-R182 PolarHBondContact O-NH1 3.33Å; E62-R182 PolarHBondContact O-NH2 3.33Å; E62-R207 VanDerWaalsContact CD-NE 3.34Å; E62-R207 WeakPolarHBondContact OE1-CD 3.31Å; E62-R207 IonicContact OE1-CZ 3.57Å; E62-R207 IonicContact OE1-NE 2.73Å; E62-R207 PolarHBondContact OE1-NE 2.88Å; E62-R207 IonicContact OE1-NH1 3.71Å; E62-R207 IonicContact OE1-NH2 3.64Å; E62-R207 PolarHBondContact OE1-NH2 3.07Å; E62-R207 IonicContact OE2-CZ 2.74Å; E62-R207 IonicContact OE2-NE 2.71Å; E62-R207 PolarHBondContact OE2-NE 3.45Å; E62-R207 IonicContact OE2-NH2 3.69Å; E62-R207 PolarHBondContact OE2-NH2 3.28Å; E62-K210 HydrophobicContact CG-CD 4.12Å; E62-K210 WeakPolarHBondContact OE1-CD 3.39Å; E62-K210 WeakPolarHBondContact OE1-CE 3.48Å; E62-K210 IonicContact OE1-NZ 3.71Å; E62-K210 PolarHBondContact OE1-NZ 3.16Å
63	E	92.5	Very high	95.5	Very high	154 Å²	154	56.2 Å²	56.2	72%	0.72	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-62.8	144.5	175.8	-68	-172.4	173.6	0	0	111.9	G61 R182 K210	G61-E63 PolarHBondContact O-N 3.47Å; E63-R182 PolarHBondContact O-NH2 2.82Å; E63-K210 PolarHBondContact O-NZ 3.1Å
64	P	93.9	Very high	95.3	Very high	51 Å²	51	59.2 Å²	59.2	33%	0.331	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-59.2	145.7	176.4	26.9	-34.2	0	0	0	110.8	G66 I186	P64-G66 PolarHBondContact O-N 2.8Å; P64-I186 HydrophobicContact CB-CD1 3.65Å; P64-I186 HydrophobicContact CB-CG1 4.05Å; P64-I186 HydrophobicContact CB-CG2 4.39Å
65	A	91.8	Very high	95.1	Very high	41 Å²	41	64.8 Å²	64.8	34%	0.339	37%	0.373	S	S	.	.	S	Bend	trans	-70.4	-13.5	-177.7	0	0	0	0	0	113.8	E177 L188 V203	A65-E177 WeakPolarHBondContact CB-OE2 3.14Å; A65-L188 HydrophobicContact CB-CD2 3.83Å; A65-V203 HydrophobicContact CB-CG1 4.34Å
66	G	95.8	Very high	95	Very high	28 Å²	28	68 Å²	68	29%	0.289	39%	0.394	S	S	.	.	S	Bend	trans	-156.3	-159.4	-178.5	0	0	0	0	0	112.2	P64 I186 D187	P64-G66 PolarHBondContact O-N 2.8Å; G66-I186 VanDerWaalsContact N-CG2 3.32Å; G66-D187 WeakPolarHBondContact CA-O 3.18Å
67	S	97.4	Very high	95	Very high	79 Å²	79	68.2 Å²	68.2	55%	0.552	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.4	-179.6	-178.6	0	0	0	0	110.8	V69 I186 D187	S67-V69 PolarHBondContact O-N 2.9Å; S67-I186 CarbonylContact O-C 3.52Å; S67-D187 PolarHBondContact N-O 2.64Å; S67-D187 WeakPolarHBondContact O-CB 3.13Å; S67-D187 PolarHBondContact O-N 3.01Å
68	V	98.2	Very high	95.2	Very high	25 Å²	25	66.6 Å²	66.6	15%	0.152	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.1	168.3	179.8	0	0	0	0	109.4	Q70 E183 P185	V68-Q70 HydrophobicContact CG1-CG 4.36Å; V68-E183 HydrophobicContact CB-CG 4.32Å; V68-E183 HydrophobicContact CG1-CG 3.47Å; V68-E183 VanDerWaalsContact CG1-CG 3.47Å; V68-E183 WeakPolarHBondContact CG1-OE1 3.29Å; V68-E183 HydrophobicContact CG2-CG 4.12Å; V68-E183 WeakPolarHBondContact CG2-OE1 3.49Å; V68-P185 CarbonylContact C-O 3.5Å; V68-P185 WeakPolarHBondContact CA-O 3.31Å
69	V	98.2	Very high	95.3	Very high	2 Å²	2	62 Å²	62	1%	0.012	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-76.5	123.8	177	-176.4	0	0	0	0	109.7	S67 R73 L74 Y176 P185 D187	S67-V69 PolarHBondContact O-N 2.9Å; V69-R73 HydrophobicContact CG1-CB 3.82Å; V69-L74 HydrophobicContact CB-CD2 4.27Å; V69-L74 HydrophobicContact CG1-CD2 4.14Å; V69-L74 HydrophobicContact CG1-CG 4.01Å; V69-Y176 HydrophobicContact CG2-CD1 4.06Å; V69-Y176 HydrophobicContact CG2-CE1 3.77Å; V69-P185 HydrophobicContact CB-CB 4.14Å; V69-P185 HydrophobicContact CB-CG 4.47Å; V69-P185 HydrophobicContact CG2-CB 3.9Å; V69-P185 WeakPolarHBondContact CG2-O 3.36Å; V69-P185 PolarHBondContact N-O 3.32Å; V69-D187 HydrophobicContact CG2-CB 3.92Å
70	Q	96.2	Very high	95.6	Very high	149 Å²	149	59 Å²	59	70%	0.696	36%	0.357	S	S	*	.			trans	-133	9.6	178	-61	-178.5	10.2	0	0	112.6	V68	V68-Q70 HydrophobicContact CG1-CG 4.36Å
71	D	96.7	Very high	95.9	Very high	71 Å²	71	57.5 Å²	57.5	38%	0.38	34%	0.34	S	S	.	.	S	Bend	trans	-102.2	-172.2	178.4	63.6	36.1	0	0	0	111.7	R73 L74	D71-R73 VanDerWaalsContact CG-NE 3.26Å; D71-R73 PolarHBondContact O-N 2.92Å; D71-R73 WeakPolarHBondContact OD1-CB 3.41Å; D71-R73 WeakPolarHBondContact OD1-CG 3.07Å; D71-R73 IonicContact OD1-CZ 3.81Å; D71-R73 PolarHBondContact OD1-N 3.02Å; D71-R73 IonicContact OD1-NE 2.76Å; D71-R73 PolarHBondContact OD1-NE 3Å; D71-R73 IonicContact OD1-NH2 3.34Å; D71-R73 IonicContact OD2-CZ 2.67Å; D71-R73 IonicContact OD2-NE 3.55Å; D71-R73 PolarHBondContact OD2-NE 3.17Å; D71-R73 IonicContact OD2-NH2 3.52Å; D71-R73 PolarHBondContact OD2-NH2 3.45Å; D71-L74 WeakPolarHBondContact O-CB 3.44Å; D71-L74 PolarHBondContact O-N 3.44Å
72	S	96.1	Very high	96.1	Very high	88 Å²	88	55.2 Å²	55.2	62%	0.615	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-59.6	-10.9	-177.8	60.2	0	0	0	0	114.7	L74 D75	S72-L74 PolarHBondContact O-N 3.43Å; S72-D75 WeakPolarHBondContact O-CB 3.42Å; S72-D75 PolarHBondContact O-N 2.98Å
73	R	97.1	Very high	96.3	Very high	59 Å²	59	57.4 Å²	57.4	22%	0.223	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-62.4	-28.4	171.5	-66.4	174	-71.8	169.3	-4.6	111.5	V69 D71 D75 T76 I77 D187	V69-R73 HydrophobicContact CG1-CB 3.82Å; D71-R73 VanDerWaalsContact CG-NE 3.26Å; D71-R73 PolarHBondContact O-N 2.92Å; D71-R73 WeakPolarHBondContact OD1-CB 3.41Å; D71-R73 WeakPolarHBondContact OD1-CG 3.07Å; D71-R73 IonicContact OD1-CZ 3.81Å; D71-R73 PolarHBondContact OD1-N 3.02Å; D71-R73 IonicContact OD1-NE 2.76Å; D71-R73 PolarHBondContact OD1-NE 3Å; D71-R73 IonicContact OD1-NH2 3.34Å; D71-R73 IonicContact OD2-CZ 2.67Å; D71-R73 IonicContact OD2-NE 3.55Å; D71-R73 PolarHBondContact OD2-NE 3.17Å; D71-R73 IonicContact OD2-NH2 3.52Å; D71-R73 PolarHBondContact OD2-NH2 3.45Å; R73-D75 PolarHBondContact O-N 2.88Å; R73-T76 PolarHBondContact O-N 2.96Å; R73-T76 PolarHBondContact O-OG1 3.45Å; R73-I77 HydrophobicContact CB-CD1 4.09Å; R73-I77 WeakPolarHBondContact O-CG1 3.46Å; R73-I77 PolarHBondContact O-N 3.18Å; R73-D187 IonicContact CZ-OD2 3.48Å; R73-D187 IonicContact NH1-OD2 3.65Å; R73-D187 PolarHBondContact NH1-OD2 2.9Å; R73-D187 IonicContact NH2-OD2 2.75Å
74	L	95.8	Very high	96.2	Very high	62 Å²	62	50.8 Å²	50.8	33%	0.325	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-55.9	-28.4	173.9	-75.3	179.4	0	0	0	113.6	V69 D71 S72 T76 P185	V69-L74 HydrophobicContact CB-CD2 4.27Å; V69-L74 HydrophobicContact CG1-CD2 4.14Å; V69-L74 HydrophobicContact CG1-CG 4.01Å; D71-L74 WeakPolarHBondContact O-CB 3.44Å; D71-L74 PolarHBondContact O-N 3.44Å; S72-L74 PolarHBondContact O-N 3.43Å; L74-T76 VanDerWaalsContact C-N 3.26Å; L74-T76 PolarHBondContact O-N 3.41Å; L74-P185 VanDerWaalsContact CD2-CD 3.42Å; L74-P185 HydrophobicContact CD2-CG 3.96Å
75	D	94.5	Very high	96	Very high	120 Å²	120	53.3 Å²	53.3	64%	0.642	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-73.6	-22.6	179.4	-58.9	-42	0	0	0	112.2	S72 R73	S72-D75 WeakPolarHBondContact O-CB 3.42Å; S72-D75 PolarHBondContact O-N 2.98Å; R73-D75 PolarHBondContact O-N 2.88Å
76	T	95.4	Very high	96.1	Very high	89 Å²	89	53.5 Å²	53.5	55%	0.546	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-29	-174.6	56.3	0	0	0	0	113.3	R73 L74	R73-T76 PolarHBondContact O-N 2.96Å; R73-T76 PolarHBondContact O-OG1 3.45Å; L74-T76 VanDerWaalsContact C-N 3.26Å; L74-T76 PolarHBondContact O-N 3.41Å
77	I	98.3	Very high	96	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	29%	0.285	C	S	.	.	S	Bend	trans	-84.3	119.4	174.7	-61.8	168.6	0	0	0	108.2	R73 F79 N99 V171 Y176 L178 P185	R73-I77 HydrophobicContact CB-CD1 4.09Å; R73-I77 WeakPolarHBondContact O-CG1 3.46Å; R73-I77 PolarHBondContact O-N 3.18Å; I77-F79 PolarHBondContact O-N 3.42Å; I77-F79 VanDerWaalsContact O-N 3.12Å; I77-N99 WeakPolarHBondContact CA-OD1 3.35Å; I77-V171 HydrophobicContact CG1-CG1 4.19Å; I77-Y176 HydrophobicContact CD1-CD1 3.91Å; I77-Y176 HydrophobicContact CD1-CD2 4.22Å; I77-Y176 HydrophobicContact CD1-CE1 3.5Å; I77-Y176 VanDerWaalsContact CD1-CE1 3.5Å; I77-Y176 HydrophobicContact CD1-CE2 3.85Å; I77-Y176 HydrophobicContact CD1-CG 4.25Å; I77-Y176 VanDerWaalsContact CD1-CZ 3.45Å; I77-L178 HydrophobicContact CG2-CD2 4.14Å; I77-P185 HydrophobicContact CB-CG 4.47Å; I77-P185 HydrophobicContact CG2-CB 4.39Å; I77-P185 HydrophobicContact CG2-CG 3.84Å
78	F	98.6	Very high	96	Very high	6 Å²	6	49 Å²	49	3%	0.026	26%	0.261	C	S	.	.			trans	-71.3	108.6	170.8	-167.8	-80.4	0	0	0	109.4	A80 V94 L98 N99 F114 K115 S118 K126	F78-A80 HydrophobicContact CE1-CB 4.11Å; F78-V94 HydrophobicContact CE1-CG1 4.03Å; F78-L98 HydrophobicContact CB-CB 3.94Å; F78-L98 HydrophobicContact CD1-CB 3.91Å; F78-L98 HydrophobicContact CD1-CD1 3.69Å; F78-L98 HydrophobicContact CD1-CG 4.39Å; F78-L98 HydrophobicContact CD2-CB 4.32Å; F78-L98 HydrophobicContact CD2-CD1 3.99Å; F78-L98 HydrophobicContact CE1-CD1 3.51Å; F78-L98 HydrophobicContact CE2-CD1 3.79Å; F78-L98 HydrophobicContact CG-CB 3.77Å; F78-L98 HydrophobicContact CG-CD1 3.94Å; F78-L98 HydrophobicContact CZ-CD1 3.55Å; F78-N99 PolarHBondContact N-OD1 2.87Å; F78-N99 PolarHBondContact O-ND2 3.38Å; F78-F114 HydrophobicContact CE1-CE1 4.31Å; F78-F114 AromaticContact CZ-CE1 3.75Å; F78-F114 HydrophobicContact CZ-CE1 3.75Å; F78-F114 HydrophobicContact CZ-CZ 4.33Å; F78-K115 HydrophobicContact CD2-CG 4.12Å; F78-K115 HydrophobicContact CE2-CG 4.4Å; F78-S118 WeakPolarHBondContact CE2-OG 3.48Å; F78-S118 WeakPolarHBondContact CZ-OG 3.33Å; F78-K126 HydrophobicContact CE2-CD 4.18Å; F78-K126 HydrophobicContact CE2-CG 4.46Å; F78-K126 HydrophobicContact CZ-CB 4.4Å; F78-K126 HydrophobicContact CZ-CD 4.18Å; F78-K126 HydrophobicContact CZ-CG 4.22Å
79	F	98.6	Very high	96	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.022	25%	0.254	C	S	.	.			trans	-128.3	126.4	175.4	178.8	-100	0	0	0	110.7	I77 K81 A123 K126 L178 D179 P185	I77-F79 PolarHBondContact O-N 3.42Å; I77-F79 VanDerWaalsContact O-N 3.12Å; F79-K81 HydrophobicContact CE1-CG 3.97Å; F79-A123 HydrophobicContact CD1-CB 3.57Å; F79-A123 HydrophobicContact CE1-CB 3.85Å; F79-K126 WeakPolarHBondContact O-CD 3.34Å; F79-L178 HydrophobicContact CD2-CB 4.46Å; F79-L178 HydrophobicContact CD2-CD2 4.1Å; F79-D179 WeakPolarHBondContact CE2-O 3.37Å; F79-D179 WeakPolarHBondContact CZ-O 3.33Å; F79-P185 HydrophobicContact CB-CG 3.72Å; F79-P185 HydrophobicContact CD2-CG 4.01Å; F79-P185 HydrophobicContact CG-CG 3.84Å
80	A	98.3	Very high	96	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	25%	0.254	C	S	.	.			trans	-119.9	133.7	177.3	0	0	0	0	0	109.3	F78 Q91 K126	F78-A80 HydrophobicContact CE1-CB 4.11Å; A80-Q91 PolarHBondContact O-OE1 3.29Å; A80-K126 HydrophobicContact CB-CB 3.72Å
81	K	97.6	Very high	96	Very high	71 Å²	71	40.8 Å²	40.8	31%	0.309	22%	0.221	S	C	.	.			trans	-74.1	149.4	171.5	-79.1	-172.8	173.9	-177.4	0	110.5	F79 V83 Q91 A123 G127 G180 R182 E183	F79-K81 HydrophobicContact CE1-CG 3.97Å; K81-V83 HydrophobicContact CB-CG1 4.42Å; K81-V83 PolarHBondContact O-N 2.99Å; K81-V83 VanDerWaalsContact O-N 3.16Å; K81-Q91 PolarHBondContact O-NE2 3.26Å; K81-Q91 VanDerWaalsContact O-NE2 3.1Å; K81-A123 HydrophobicContact CD-CB 4.45Å; K81-A123 HydrophobicContact CG-CB 3.93Å; K81-A123 PolarHBondContact N-O 3.12Å; K81-G127 WeakPolarHBondContact O-CA 3.42Å; K81-G180 CarbonylContact C-O 3.54Å; K81-G180 WeakPolarHBondContact CA-O 3.3Å; K81-R182 VanDerWaalsContact CE-O 3.32Å; K81-R182 WeakPolarHBondContact CE-O 3.31Å; K81-E183 VanDerWaalsContact CE-O 3.23Å; K81-E183 WeakPolarHBondContact CE-O 3.46Å
82	Q	96.7	Very high	96.1	Very high	34 Å²	34	37.5 Å²	37.5	16%	0.159	20%	0.204	C	C	.	.			trans	-79.8	97	169.8	-178.1	171.7	-40.5	0	0	109.3	I84 A87 C88 Q91 G180 L181	Q82-I84 WeakPolarHBondContact CG-O 3.37Å; Q82-I84 PolarHBondContact NE2-O 3.42Å; Q82-A87 HydrophobicContact CG-CB 4.4Å; Q82-C88 VanDerWaalsContact OE1-CB 3.22Å; Q82-Q91 HydrophobicContact CB-CG 4.22Å; Q82-Q91 HydrophobicContact CG-CG 4.39Å; Q82-G180 PolarHBondContact N-O 3.42Å; Q82-L181 HydrophobicContact CB-CD2 4.14Å; Q82-L181 HydrophobicContact CG-CD2 4.34Å
83	V	93.9	Very high	96.2	Very high	68 Å²	68	33.3 Å²	33.3	41%	0.412	18%	0.175	S	C	.	.			trans	-93.4	-8.3	177.7	-56.3	0	0	0	0	113.5	K81 G127 L128	K81-V83 HydrophobicContact CB-CG1 4.42Å; K81-V83 PolarHBondContact O-N 2.99Å; K81-V83 VanDerWaalsContact O-N 3.16Å; V83-G127 WeakPolarHBondContact CG2-O 3.47Å; V83-L128 HydrophobicContact CG2-CB 4.3Å
84	I	90.6	Very high	96.3	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.077	17%	0.165	C	C	.	.	S	Bend	trans	-119.8	142.9	177	-35.6	165.7	0	0	0	109	W8 Q82 A87 S131	W8-I84 HydrophobicContact CD2-CD1 4.21Å; W8-I84 HydrophobicContact CG-CD1 4.48Å; W8-I84 HydrophobicContact CZ2-CD1 3.88Å; Q82-I84 WeakPolarHBondContact CG-O 3.37Å; Q82-I84 PolarHBondContact NE2-O 3.42Å; I84-A87 HydrophobicContact CB-CB 4.19Å; I84-A87 HydrophobicContact CD1-CB 4.46Å; I84-S131 VanDerWaalsContact CD1-CA 3.47Å
85	N	91.2	Very high	96.5	Very high	104 Å²	104	27.7 Å²	27.7	56%	0.556	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	146.5	169.3	-66.1	-11.3	0	0	0	111.3	A87	N85-A87 PolarHBondContact O-N 3.24Å
86	N	92.5	Very high	96.7	Very high	45 Å²	45	22 Å²	22	24%	0.241	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	5.7	176.5	-51	-24	0	0	0	116.1	W8 L10 C88	W8-N86 HydrophobicContact CB-CB 4.42Å; W8-N86 WeakPolarHBondContact O-CB 3.49Å; W8-N86 PolarHBondContact O-ND2 3.17Å; L10-N86 HydrophobicContact CD2-CB 4.05Å; L10-N86 WeakPolarHBondContact CD2-OD1 3.35Å; N86-C88 PolarHBondContact O-N 3.14Å
87	A	94.8	Very high	96.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.8	177.3	0	0	0	0	0	114	W8 Q82 I84 N85 A89 T90 Q91	W8-A87 HydrophobicContact CD2-CB 4.25Å; W8-A87 HydrophobicContact CE3-CB 3.83Å; W8-A87 HydrophobicContact CZ3-CB 4.2Å; Q82-A87 HydrophobicContact CG-CB 4.4Å; I84-A87 HydrophobicContact CB-CB 4.19Å; I84-A87 HydrophobicContact CD1-CB 4.46Å; N85-A87 PolarHBondContact O-N 3.24Å; A87-A89 VanDerWaalsContact C-N 3.26Å; A87-A89 PolarHBondContact O-N 3.01Å; A87-A89 VanDerWaalsContact O-N 3.12Å; A87-T90 PolarHBondContact O-N 3.11Å; A87-T90 VanDerWaalsContact O-N 3.07Å; A87-Q91 HydrophobicContact CB-CG 4.17Å; A87-Q91 VanDerWaalsContact O-CG 3.26Å; A87-Q91 WeakPolarHBondContact O-CG 3.3Å; A87-Q91 PolarHBondContact O-N 3.26Å
88	C	96.5	Very high	96.8	Very high	10 Å²	10	17.6 Å²	17.6	7%	0.068	9%	0.092	C	C	.	.	H	α-helix	trans	-51.4	-38.7	-172.8	53	0	0	0	0	113.8	Q82 N86 Q91 A92 F165	Q82-C88 VanDerWaalsContact OE1-CB 3.22Å; N86-C88 PolarHBondContact O-N 3.14Å; C88-Q91 PolarHBondContact O-N 3.18Å; C88-A92 WeakPolarHBondContact O-CB 3.3Å; C88-A92 PolarHBondContact O-N 2.99Å; C88-F165 HydrophobicContact CB-CB 4.14Å
89	A	97.5	Very high	96.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.8	-47.6	178.3	0	0	0	0	0	112.9	M11 F18 A87 A92 I93 F165	M11-A89 HydrophobicContact CB-CB 3.44Å; M11-A89 VanDerWaalsContact CB-CB 3.44Å; M11-A89 HydrophobicContact CG-CB 3.83Å; F18-A89 HydrophobicContact CE1-CB 4.19Å; F18-A89 HydrophobicContact CE2-CB 4.45Å; F18-A89 HydrophobicContact CZ-CB 3.67Å; A87-A89 VanDerWaalsContact C-N 3.26Å; A87-A89 PolarHBondContact O-N 3.01Å; A87-A89 VanDerWaalsContact O-N 3.12Å; A89-A92 PolarHBondContact O-N 3.18Å; A89-I93 WeakPolarHBondContact O-CG1 3.39Å; A89-I93 PolarHBondContact O-N 2.83Å; A89-I93 VanDerWaalsContact O-N 3.1Å; A89-F165 HydrophobicContact CB-CD2 3.87Å; A89-F165 HydrophobicContact CB-CE2 4.02Å
90	T	98.3	Very high	96.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-71.1	-39	176.2	-67.1	0	0	0	0	111.2	W8 F25 A87 A92 I93 V94 L130 I136 H140	W8-T90 HydrophobicContact CH2-CG2 4.26Å; W8-T90 HydrophobicContact CZ3-CG2 3.91Å; F25-T90 HydrophobicContact CE2-CG2 4.28Å; F25-T90 HydrophobicContact CZ-CG2 3.87Å; A87-T90 PolarHBondContact O-N 3.11Å; A87-T90 VanDerWaalsContact O-N 3.07Å; T90-A92 PolarHBondContact O-N 2.93Å; T90-I93 PolarHBondContact O-N 3.42Å; T90-V94 HydrophobicContact CG2-CG2 3.82Å; T90-V94 VanDerWaalsContact O-CB 3.31Å; T90-V94 WeakPolarHBondContact O-CB 3.41Å; T90-V94 VanDerWaalsContact O-CG2 3.29Å; T90-V94 WeakPolarHBondContact O-CG2 3.37Å; T90-V94 PolarHBondContact O-N 3.29Å; T90-L130 HydrophobicContact CG2-CD1 4.27Å; T90-L130 HydrophobicContact CG2-CD2 4.17Å; T90-L130 HydrophobicContact CG2-CG 4.48Å; T90-I136 HydrophobicContact CG2-CG2 3.45Å; T90-I136 VanDerWaalsContact CG2-CG2 3.45Å; T90-H140 PolarHBondContact OG1-ND1 2.95Å
91	Q	97.7	Very high	96.8	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-54.3	-45	174.7	-69.3	-75.4	-0.7	0	0	110.3	A80 K81 Q82 A87 C88 S95 L130	A80-Q91 PolarHBondContact O-OE1 3.29Å; K81-Q91 PolarHBondContact O-NE2 3.26Å; K81-Q91 VanDerWaalsContact O-NE2 3.1Å; Q82-Q91 HydrophobicContact CB-CG 4.22Å; Q82-Q91 HydrophobicContact CG-CG 4.39Å; A87-Q91 HydrophobicContact CB-CG 4.17Å; A87-Q91 VanDerWaalsContact O-CG 3.26Å; A87-Q91 WeakPolarHBondContact O-CG 3.3Å; A87-Q91 PolarHBondContact O-N 3.26Å; C88-Q91 PolarHBondContact O-N 3.18Å; Q91-S95 WeakPolarHBondContact O-CB 3.37Å; Q91-S95 PolarHBondContact O-N 3.13Å; Q91-S95 PolarHBondContact O-OG 3.07Å; Q91-L130 HydrophobicContact CG-CD2 4.23Å
92	A	98.6	Very high	96.8	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-62.7	-51	176.6	0	0	0	0	0	112.2	I53 C88 A89 T90 V94 S95 V96 F165 S167	I53-A92 HydrophobicContact CD1-CB 4.06Å; I53-A92 HydrophobicContact CG1-CB 4.1Å; I53-A92 HydrophobicContact CG2-CB 4.01Å; C88-A92 WeakPolarHBondContact O-CB 3.3Å; C88-A92 PolarHBondContact O-N 2.99Å; A89-A92 PolarHBondContact O-N 3.18Å; T90-A92 PolarHBondContact O-N 2.93Å; A92-V94 PolarHBondContact O-N 3.43Å; A92-S95 PolarHBondContact O-N 2.92Å; A92-V96 PolarHBondContact O-N 3.24Å; A92-V96 VanDerWaalsContact O-N 3.09Å; A92-F165 HydrophobicContact CB-CB 4.12Å; A92-S167 WeakPolarHBondContact CA-OG 3.36Å; A92-S167 VanDerWaalsContact CB-OG 3.28Å; A92-S167 WeakPolarHBondContact CB-OG 3.3Å; A92-S167 PolarHBondContact O-OG 3.09Å
93	I	98.8	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.8	-50.1	178.5	-67.6	167.3	0	0	0	111.3	F18 L21 I22 F25 I53 A89 T90 S95 V96 L97	F18-I93 HydrophobicContact CD1-CD1 3.59Å; F18-I93 HydrophobicContact CD1-CG1 3.69Å; F18-I93 HydrophobicContact CE1-CD1 3.99Å; F18-I93 HydrophobicContact CE1-CG1 3.99Å; F18-I93 HydrophobicContact CG-CD1 4.3Å; L21-I93 HydrophobicContact CB-CD1 3.74Å; L21-I93 HydrophobicContact CD1-CD1 3.7Å; L21-I93 HydrophobicContact CG-CD1 4.39Å; I22-I93 HydrophobicContact CD1-CG2 4.44Å; I22-I93 HydrophobicContact CG1-CD1 4.5Å; I22-I93 HydrophobicContact CG1-CG2 3.72Å; F25-I93 HydrophobicContact CD2-CG2 4Å; F25-I93 HydrophobicContact CE2-CB 4.28Å; F25-I93 HydrophobicContact CE2-CD1 4.07Å; F25-I93 HydrophobicContact CE2-CG2 3.82Å; I53-I93 HydrophobicContact CD1-CG1 3.71Å; A89-I93 WeakPolarHBondContact O-CG1 3.39Å; A89-I93 PolarHBondContact O-N 2.83Å; A89-I93 VanDerWaalsContact O-N 3.1Å; T90-I93 PolarHBondContact O-N 3.42Å; I93-S95 VanDerWaalsContact C-N 3.33Å; I93-S95 PolarHBondContact O-N 2.94Å; I93-V96 PolarHBondContact O-N 2.93Å; I93-L97 HydrophobicContact CG2-CD1 3.64Å; I93-L97 HydrophobicContact CG2-CG 4.13Å; I93-L97 WeakPolarHBondContact O-CG 3.29Å; I93-L97 PolarHBondContact O-N 2.68Å
94	V	98.6	Very high	97.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-40.6	-179.1	170.2	0	0	0	0	110.8	F78 T90 A92 V96 L97 L98 L111 F114 L130	F78-V94 HydrophobicContact CE1-CG1 4.03Å; T90-V94 HydrophobicContact CG2-CG2 3.82Å; T90-V94 VanDerWaalsContact O-CB 3.31Å; T90-V94 WeakPolarHBondContact O-CB 3.41Å; T90-V94 VanDerWaalsContact O-CG2 3.29Å; T90-V94 WeakPolarHBondContact O-CG2 3.37Å; T90-V94 PolarHBondContact O-N 3.29Å; A92-V94 PolarHBondContact O-N 3.43Å; V94-V96 VanDerWaalsContact C-N 3.27Å; V94-V96 PolarHBondContact O-N 3.32Å; V94-L97 PolarHBondContact O-N 3.3Å; V94-L98 HydrophobicContact CG1-CD1 3.46Å; V94-L98 VanDerWaalsContact CG1-CD1 3.46Å; V94-L98 HydrophobicContact CG1-CG 3.82Å; V94-L98 VanDerWaalsContact O-CB 3.3Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 WeakPolarHBondContact O-CG 3.2Å; V94-L98 PolarHBondContact O-N 2.71Å; V94-L111 HydrophobicContact CG2-CD2 4.4Å; V94-F114 HydrophobicContact CG1-CE1 4.23Å; V94-L130 HydrophobicContact CG1-CD1 4.43Å; V94-L130 HydrophobicContact CG2-CD1 4Å
95	S	98.7	Very high	97.5	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-36.2	176	-66.3	0	0	0	0	112.4	Q91 A92 I93 N99 L178	Q91-S95 WeakPolarHBondContact O-CB 3.37Å; Q91-S95 PolarHBondContact O-N 3.13Å; Q91-S95 PolarHBondContact O-OG 3.07Å; A92-S95 PolarHBondContact O-N 2.92Å; I93-S95 VanDerWaalsContact C-N 3.33Å; I93-S95 PolarHBondContact O-N 2.94Å; S95-N99 PolarHBondContact O-ND2 3.2Å; S95-L178 WeakPolarHBondContact O-CD1 2.94Å
96	V	98.9	Very high	97.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-75.1	-57	174	175.3	0	0	0	0	110.7	H50 A92 I93 V94 L98 N99 C100 I223	H50-V96 HydrophobicContact CB-CG1 4.46Å; A92-V96 PolarHBondContact O-N 3.24Å; A92-V96 VanDerWaalsContact O-N 3.09Å; I93-V96 PolarHBondContact O-N 2.93Å; V94-V96 VanDerWaalsContact C-N 3.27Å; V94-V96 PolarHBondContact O-N 3.32Å; V96-L98 PolarHBondContact O-N 3.22Å; V96-N99 CarbonylContact O-C 3.53Å; V96-N99 PolarHBondContact O-N 3.27Å; V96-N99 VanDerWaalsContact O-N 3.09Å; V96-C100 PolarHBondContact O-N 3.39Å; V96-I223 HydrophobicContact CB-CD1 3.83Å; V96-I223 HydrophobicContact CG1-CB 4.21Å; V96-I223 HydrophobicContact CG1-CD1 3.82Å; V96-I223 HydrophobicContact CG1-CG1 4.38Å; V96-I223 HydrophobicContact CG2-CD1 4.2Å
97	L	98.8	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-42.8	-169.7	-66.5	-177.6	0	0	0	111.9	I22 C27 I93 V94 N99 C100 V105 L107 L111 I223	I22-L97 HydrophobicContact CG1-CD1 4.22Å; I22-L97 HydrophobicContact CG2-CD1 4.22Å; C27-L97 HydrophobicContact CB-CD1 4.06Å; I93-L97 HydrophobicContact CG2-CD1 3.64Å; I93-L97 HydrophobicContact CG2-CG 4.13Å; I93-L97 WeakPolarHBondContact O-CG 3.29Å; I93-L97 PolarHBondContact O-N 2.68Å; V94-L97 PolarHBondContact O-N 3.3Å; L97-N99 PolarHBondContact O-N 2.79Å; L97-C100 WeakPolarHBondContact O-CB 3.45Å; L97-C100 PolarHBondContact O-N 2.98Å; L97-V105 HydrophobicContact CD2-CG1 4.13Å; L97-L107 HydrophobicContact CB-CD2 3.85Å; L97-L107 WeakPolarHBondContact O-CD2 3.3Å; L97-L111 HydrophobicContact CD1-CD1 3.75Å; L97-I223 HydrophobicContact CD2-CD1 4.47Å; L97-I223 HydrophobicContact CD2-CG2 4.15Å
98	L	98.7	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-8.2	-179.3	-58.2	-166.8	0	0	0	113.7	F78 V94 V96 L107 L111 F114 K115	F78-L98 HydrophobicContact CB-CB 3.94Å; F78-L98 HydrophobicContact CD1-CB 3.91Å; F78-L98 HydrophobicContact CD1-CD1 3.69Å; F78-L98 HydrophobicContact CD1-CG 4.39Å; F78-L98 HydrophobicContact CD2-CB 4.32Å; F78-L98 HydrophobicContact CD2-CD1 3.99Å; F78-L98 HydrophobicContact CE1-CD1 3.51Å; F78-L98 HydrophobicContact CE2-CD1 3.79Å; F78-L98 HydrophobicContact CG-CB 3.77Å; F78-L98 HydrophobicContact CG-CD1 3.94Å; F78-L98 HydrophobicContact CZ-CD1 3.55Å; V94-L98 HydrophobicContact CG1-CD1 3.46Å; V94-L98 VanDerWaalsContact CG1-CD1 3.46Å; V94-L98 HydrophobicContact CG1-CG 3.82Å; V94-L98 VanDerWaalsContact O-CB 3.3Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 WeakPolarHBondContact O-CG 3.2Å; V94-L98 PolarHBondContact O-N 2.71Å; V96-L98 PolarHBondContact O-N 3.22Å; L98-L107 HydrophobicContact CD2-CD1 3.97Å; L98-L107 HydrophobicContact CD2-CD2 4.4Å; L98-L111 HydrophobicContact CD2-CB 4.08Å; L98-L111 HydrophobicContact CD2-CD2 4.49Å; L98-F114 HydrophobicContact CD1-CD1 3.86Å; L98-F114 HydrophobicContact CD1-CE1 3.98Å; L98-K115 HydrophobicContact CB-CD 4.2Å; L98-K115 HydrophobicContact CD1-CB 4.1Å; L98-K115 HydrophobicContact CD1-CG 4.45Å; L98-K115 HydrophobicContact CD2-CB 4.03Å; L98-K115 HydrophobicContact CD2-CD 4.26Å; L98-K115 WeakPolarHBondContact O-CE 3.29Å; L98-K115 PolarHBondContact O-NZ 3.23Å
99	N	98.7	Very high	98.4	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.07	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-1.1	168.7	-71.3	-65.8	0	0	0	112.8	I77 F78 S95 V96 L97 V169 V171 L178	I77-N99 WeakPolarHBondContact CA-OD1 3.35Å; F78-N99 PolarHBondContact N-OD1 2.87Å; F78-N99 PolarHBondContact O-ND2 3.38Å; S95-N99 PolarHBondContact O-ND2 3.2Å; V96-N99 CarbonylContact O-C 3.53Å; V96-N99 PolarHBondContact O-N 3.27Å; V96-N99 VanDerWaalsContact O-N 3.09Å; L97-N99 PolarHBondContact O-N 2.79Å; N99-V169 HydrophobicContact CB-CG2 4.19Å; N99-V171 HydrophobicContact CB-CG2 3.85Å; N99-L178 WeakPolarHBondContact ND2-CD1 3.49Å
100	C	98.3	Very high	98.4	Very high	16 Å²	16	35.6 Å²	35.6	11%	0.108	19%	0.186	C	C	.	.			trans	-87.2	133.3	177.3	-173.8	0	0	0	0	111.1	V96 L97	V96-C100 PolarHBondContact O-N 3.39Å; L97-C100 WeakPolarHBondContact O-CB 3.45Å; L97-C100 PolarHBondContact O-N 2.98Å
101	T	97.3	Very high	98.4	Very high	131 Å²	131	35.6 Å²	35.6	80%	0.804	19%	0.186	S	C	*	.			trans	-125.9	12.2	175.8	53.5	0	0	0	0	112.3
102	H	98	Very high	98.4	Very high	67 Å²	67	37.9 Å²	37.9	31%	0.31	20%	0.203	S	C	.	.			trans	-67	137.4	178.9	-166.3	-86.9	0	0	0	110.7	H50 D104 V105	H50-H102 AromaticContact CE1-CG 3.47Å; H50-H102 VanDerWaalsContact CE1-CG 3.47Å; H50-H102 AromaticContact CE1-ND1 3.56Å; H50-H102 AromaticContact ND1-CG 3.89Å; H102-D104 IonicContact CE1-OD1 2.92Å; H102-D104 IonicContact CE1-OD2 2.77Å; H102-D104 PolarHBondContact CE1-OD2 3Å; H102-D104 WeakPolarHBondContact ND1-CB 3.4Å; H102-D104 PolarHBondContact ND1-N 3.24Å; H102-D104 IonicContact ND1-OD1 2.81Å; H102-D104 IonicContact ND1-OD2 3.89Å; H102-D104 PolarHBondContact ND1-OD2 3.19Å; H102-D104 PolarHBondContact O-N 3.49Å; H102-D104 VanDerWaalsContact O-N 3.08Å; H102-V105 PolarHBondContact O-N 3.21Å
103	Q	97.7	Very high	98.4	Very high	159 Å²	159	43 Å²	43	74%	0.743	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.5	-174	67.5	-175.7	9.6	0	0	114.5	V105 H106	Q103-V105 VanDerWaalsContact C-N 3.3Å; Q103-H106 PolarHBondContact O-CE1 2.95Å
104	D	98.2	Very high	98.4	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.07	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.3	179.2	-63.8	-9.9	0	0	0	112.1	G29 H102 H106 S225 M229	G29-D104 WeakPolarHBondContact CA-O 3.48Å; H102-D104 IonicContact CE1-OD1 2.92Å; H102-D104 IonicContact CE1-OD2 2.77Å; H102-D104 PolarHBondContact CE1-OD2 3Å; H102-D104 WeakPolarHBondContact ND1-CB 3.4Å; H102-D104 PolarHBondContact ND1-N 3.24Å; H102-D104 IonicContact ND1-OD1 2.81Å; H102-D104 IonicContact ND1-OD2 3.89Å; H102-D104 PolarHBondContact ND1-OD2 3.19Å; H102-D104 PolarHBondContact O-N 3.49Å; H102-D104 VanDerWaalsContact O-N 3.08Å; D104-H106 PolarHBondContact O-ND1 3.23Å; D104-S225 VanDerWaalsContact CB-OG 3.24Å; D104-S225 WeakPolarHBondContact CB-OG 3.45Å; D104-S225 VanDerWaalsContact OD2-CB 3.29Å; D104-S225 WeakPolarHBondContact OD2-CB 3.45Å; D104-S225 PolarHBondContact OD2-OG 3.21Å; D104-M229 HydrophobicContact CB-CE 3.86Å
105	V	98.7	Very high	98.4	Very high	17 Å²	17	46.1 Å²	46.1	10%	0.103	24%	0.24	C	C	.	.			trans	-93.8	113.3	-172.3	-177.9	0	0	0	0	110.2	A30 H50 L97 H102 Q103 L107	A30-V105 HydrophobicContact CB-CG1 4.43Å; A30-V105 HydrophobicContact CB-CG2 4.31Å; H50-V105 VanDerWaalsContact CD2-CG2 3.47Å; H50-V105 WeakPolarHBondContact CD2-CG2 3.49Å; L97-V105 HydrophobicContact CD2-CG1 4.13Å; H102-V105 PolarHBondContact O-N 3.21Å; Q103-V105 VanDerWaalsContact C-N 3.3Å; V105-L107 HydrophobicContact CG1-CD2 4.33Å
106	H	98.7	Very high	98.3	Very high	102 Å²	102	53.2 Å²	53.2	47%	0.472	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-110.6	102.3	179.1	-59.7	78.5	0	0	0	108.9	C27 R28 Q103 D104 G108	C27-H106 CarbonylContact C-O 3.59Å; C27-H106 VanDerWaalsContact CA-O 3.32Å; C27-H106 WeakPolarHBondContact CA-O 3.48Å; R28-H106 HydrophobicContact CB-CB 4.37Å; R28-H106 PolarHBondContact N-O 2.87Å; R28-H106 PolarHBondContact O-N 3.2Å; Q103-H106 PolarHBondContact O-CE1 2.95Å; D104-H106 PolarHBondContact O-ND1 3.23Å; H106-G108 PolarHBondContact O-N 2.9Å
107	L	98.7	Very high	98.3	Very high	25 Å²	25	59.5 Å²	59.5	13%	0.131	30%	0.3	C	S	.	.			trans	-56.5	-27.8	-173.2	-64.6	-177.4	0	0	0	114.4	G26 C27 L97 L98 V105 L111 S112	G26-L107 CarbonylContact C-O 3.55Å; C27-L107 WeakPolarHBondContact CA-O 3.45Å; C27-L107 PolarHBondContact N-O 3.39Å; L97-L107 HydrophobicContact CB-CD2 3.85Å; L97-L107 WeakPolarHBondContact O-CD2 3.3Å; L98-L107 HydrophobicContact CD2-CD1 3.97Å; L98-L107 HydrophobicContact CD2-CD2 4.4Å; V105-L107 HydrophobicContact CG1-CD2 4.33Å; L107-L111 HydrophobicContact CB-CB 3.99Å; L107-L111 HydrophobicContact CD2-CD1 4.45Å; L107-S112 WeakPolarHBondContact CB-OG 3.34Å
108	G	98.4	Very high	98.2	Very high	15 Å²	15	59.5 Å²	59.5	16%	0.155	30%	0.3	C	S	.	.	H	α-helix	trans	77.1	173.9	-172.4	0	0	0	0	0	112.2	H106 S112	H106-G108 PolarHBondContact O-N 2.9Å; G108-S112 VanDerWaalsContact O-CB 3.22Å; G108-S112 WeakPolarHBondContact O-CB 3.29Å; G108-S112 PolarHBondContact O-N 3.4Å; G108-S112 VanDerWaalsContact O-N 3.1Å; G108-S112 PolarHBondContact O-OG 3.03Å
109	E	98.4	Very high	98	Very high	144 Å²	144	64.8 Å²	64.8	67%	0.673	33%	0.325	S	S	*	.	H	α-helix	trans	-59.8	-55.9	-173.8	-173.8	175.8	-164.6	0	0	111.3	L111 S112 E113	E109-L111 PolarHBondContact O-N 3.22Å; E109-S112 PolarHBondContact O-N 2.89Å; E109-E113 HydrophobicContact CG-CG 4.32Å; E109-E113 WeakPolarHBondContact CG-OE1 3.48Å; E109-E113 WeakPolarHBondContact O-CB 3.38Å; E109-E113 WeakPolarHBondContact O-CG 3.5Å; E109-E113 PolarHBondContact O-N 3.24Å
110	T	98.1	Very high	97.7	Very high	36 Å²	36	69.2 Å²	69.2	22%	0.221	36%	0.358	C	S	.	.	H	α-helix	trans	-54.9	-49.9	-175.8	-55.4	0	0	0	0	113.7	F114 V135 I136	T110-F114 WeakPolarHBondContact O-CB 3.41Å; T110-F114 PolarHBondContact O-N 2.85Å; T110-V135 HydrophobicContact CG2-CB 3.87Å; T110-V135 HydrophobicContact CG2-CG1 3.95Å; T110-V135 HydrophobicContact CG2-CG2 4.39Å; T110-I136 HydrophobicContact CG2-CG1 4.27Å
111	L	98.6	Very high	97.7	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-74	-34.5	-178.8	-72.3	179.5	0	0	0	112.5	F25 C27 V94 L97 L98 L107 E109 K115 I136	F25-L111 HydrophobicContact CB-CD1 3.92Å; F25-L111 HydrophobicContact CB-CD2 4.16Å; F25-L111 HydrophobicContact CB-CG 3.98Å; C27-L111 HydrophobicContact CB-CD1 3.97Å; V94-L111 HydrophobicContact CG2-CD2 4.4Å; L97-L111 HydrophobicContact CD1-CD1 3.75Å; L98-L111 HydrophobicContact CD2-CB 4.08Å; L98-L111 HydrophobicContact CD2-CD2 4.49Å; L107-L111 HydrophobicContact CB-CB 3.99Å; L107-L111 HydrophobicContact CD2-CD1 4.45Å; E109-L111 PolarHBondContact O-N 3.22Å; L111-K115 VanDerWaalsContact O-CB 3.31Å; L111-K115 WeakPolarHBondContact O-CB 3.17Å; L111-K115 PolarHBondContact O-N 3.39Å; L111-I136 HydrophobicContact CD2-CD1 4.06Å
112	S	98.4	Very high	97.6	Very high	53 Å²	53	70.2 Å²	70.2	37%	0.371	35%	0.354	S	S	.	.	H	α-helix	trans	-67.7	-48.1	178.3	-54.8	0	0	0	0	111	L107 G108 E109 K115 E116	L107-S112 WeakPolarHBondContact CB-OG 3.34Å; G108-S112 VanDerWaalsContact O-CB 3.22Å; G108-S112 WeakPolarHBondContact O-CB 3.29Å; G108-S112 PolarHBondContact O-N 3.4Å; G108-S112 VanDerWaalsContact O-N 3.1Å; G108-S112 PolarHBondContact O-OG 3.03Å; E109-S112 PolarHBondContact O-N 2.89Å; S112-K115 WeakPolarHBondContact O-CB 3.16Å; S112-K115 PolarHBondContact O-N 2.79Å; S112-E116 PolarHBondContact O-N 2.91Å
113	E	98.3	Very high	97.6	Very high	109 Å²	109	68.1 Å²	68.1	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-63.7	-42.3	176.3	-69.8	179	168.7	0	0	111.4	E109 K115 E116 F117	E109-E113 HydrophobicContact CG-CG 4.32Å; E109-E113 WeakPolarHBondContact CG-OE1 3.48Å; E109-E113 WeakPolarHBondContact O-CB 3.38Å; E109-E113 WeakPolarHBondContact O-CG 3.5Å; E109-E113 PolarHBondContact O-N 3.24Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.45Å; E113-E116 PolarHBondContact O-N 3.43Å; E113-F117 WeakPolarHBondContact O-CB 3.02Å; E113-F117 PolarHBondContact O-N 3.48Å
114	F	98.3	Very high	97.6	Very high	14 Å²	14	62.3 Å²	62.3	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-42.4	175.7	173.9	-103.9	0	0	0	111.8	F78 V94 L98 T110 S118 A129 L130 I136	F78-F114 HydrophobicContact CE1-CE1 4.31Å; F78-F114 AromaticContact CZ-CE1 3.75Å; F78-F114 HydrophobicContact CZ-CE1 3.75Å; F78-F114 HydrophobicContact CZ-CZ 4.33Å; V94-F114 HydrophobicContact CG1-CE1 4.23Å; L98-F114 HydrophobicContact CD1-CD1 3.86Å; L98-F114 HydrophobicContact CD1-CE1 3.98Å; T110-F114 WeakPolarHBondContact O-CB 3.41Å; T110-F114 PolarHBondContact O-N 2.85Å; F114-S118 WeakPolarHBondContact O-CB 3.36Å; F114-S118 PolarHBondContact O-N 2.83Å; F114-S118 PolarHBondContact O-OG 3.32Å; F114-A129 HydrophobicContact CE2-CB 3.75Å; F114-A129 HydrophobicContact CZ-CB 4.35Å; F114-L130 HydrophobicContact CE1-CD1 3.87Å; F114-L130 HydrophobicContact CE2-CB 4.38Å; F114-L130 HydrophobicContact CE2-CD1 4.42Å; F114-L130 HydrophobicContact CZ-CB 3.84Å; F114-L130 HydrophobicContact CZ-CD1 3.77Å; F114-L130 HydrophobicContact CZ-CG 4.42Å; F114-I136 HydrophobicContact CD1-CD1 4.46Å; F114-I136 HydrophobicContact CG-CD1 4.4Å
115	K	98.2	Very high	97.5	Very high	53 Å²	53	65.9 Å²	65.9	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-60.5	-50.4	175.8	-177.4	174.6	175.3	171.2	0	110.6	F78 L98 L111 S112 E113 S118 Q119	F78-K115 HydrophobicContact CD2-CG 4.12Å; F78-K115 HydrophobicContact CE2-CG 4.4Å; L98-K115 HydrophobicContact CB-CD 4.2Å; L98-K115 HydrophobicContact CD1-CB 4.1Å; L98-K115 HydrophobicContact CD1-CG 4.45Å; L98-K115 HydrophobicContact CD2-CB 4.03Å; L98-K115 HydrophobicContact CD2-CD 4.26Å; L98-K115 WeakPolarHBondContact O-CE 3.29Å; L98-K115 PolarHBondContact O-NZ 3.23Å; L111-K115 VanDerWaalsContact O-CB 3.31Å; L111-K115 WeakPolarHBondContact O-CB 3.17Å; L111-K115 PolarHBondContact O-N 3.39Å; S112-K115 WeakPolarHBondContact O-CB 3.16Å; S112-K115 PolarHBondContact O-N 2.79Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.45Å; K115-S118 PolarHBondContact O-N 2.57Å; K115-Q119 WeakPolarHBondContact O-CA 3.5Å; K115-Q119 VanDerWaalsContact O-CB 3.3Å; K115-Q119 WeakPolarHBondContact O-CB 3.36Å; K115-Q119 PolarHBondContact O-N 3.11Å
116	E	97.9	Very high	97.5	Very high	150 Å²	150	65.8 Å²	65.8	70%	0.701	34%	0.342	S	S	*	.	H	α-helix	trans	-61	-48	179.3	-175.7	175.1	-177.3	0	0	111.9	S112 E113 S118 Q119	S112-E116 PolarHBondContact O-N 2.91Å; E113-E116 PolarHBondContact O-N 3.43Å; E116-S118 VanDerWaalsContact C-N 3.3Å; E116-S118 PolarHBondContact O-N 2.88Å; E116-Q119 PolarHBondContact O-N 3.05Å
117	F	97	Very high	97.4	Very high	132 Å²	132	60.9 Å²	60.9	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-57	-42.6	179.1	170.6	-109.6	0	0	0	112.6	E113 F121 A129	E113-F117 WeakPolarHBondContact O-CB 3.02Å; E113-F117 PolarHBondContact O-N 3.48Å; F117-F121 HydrophobicContact CD1-CE2 4.19Å; F117-F121 AromaticContact CE1-CE2 3.71Å; F117-F121 HydrophobicContact CE1-CE2 3.71Å; F117-F121 HydrophobicContact CE1-CZ 4.15Å; F117-F121 HydrophobicContact CE2-CZ 4.21Å; F117-F121 AromaticContact CZ-CE2 3.93Å; F117-F121 HydrophobicContact CZ-CE2 3.93Å; F117-F121 AromaticContact CZ-CZ 3.91Å; F117-F121 HydrophobicContact CZ-CZ 3.91Å; F117-A129 HydrophobicContact CD1-CB 4.47Å; F117-A129 HydrophobicContact CE1-CB 4.06Å
118	S	97.2	Very high	97.3	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-99.6	-0.5	-173.1	65.4	0	0	0	0	114.1	F78 F114 K115 E116 S120 F121 K126	F78-S118 WeakPolarHBondContact CE2-OG 3.48Å; F78-S118 WeakPolarHBondContact CZ-OG 3.33Å; F114-S118 WeakPolarHBondContact O-CB 3.36Å; F114-S118 PolarHBondContact O-N 2.83Å; F114-S118 PolarHBondContact O-OG 3.32Å; K115-S118 PolarHBondContact O-N 2.57Å; E116-S118 VanDerWaalsContact C-N 3.3Å; E116-S118 PolarHBondContact O-N 2.88Å; S118-S120 VanDerWaalsContact C-N 3.27Å; S118-S120 PolarHBondContact O-N 3.07Å; S118-F121 WeakPolarHBondContact O-CB 3.49Å; S118-F121 PolarHBondContact O-N 3.18Å; S118-F121 VanDerWaalsContact O-N 3.07Å; S118-K126 WeakPolarHBondContact O-CE 3.36Å; S118-K126 WeakPolarHBondContact O-CG 3.28Å
119	Q	94.6	Very high	97.2	Very high	111 Å²	111	63 Å²	63	52%	0.519	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-38.5	-174.1	-173.1	169.5	-29.5	0	0	112.8	K115 E116 F121 K126	K115-Q119 WeakPolarHBondContact O-CA 3.5Å; K115-Q119 VanDerWaalsContact O-CB 3.3Å; K115-Q119 WeakPolarHBondContact O-CB 3.36Å; K115-Q119 PolarHBondContact O-N 3.11Å; E116-Q119 PolarHBondContact O-N 3.05Å; Q119-F121 VanDerWaalsContact C-N 3.27Å; Q119-F121 PolarHBondContact O-N 3.03Å; Q119-K126 WeakPolarHBondContact O-CE 3.48Å; Q119-K126 PolarHBondContact O-NZ 3.17Å
120	S	93.4	Very high	97.1	Very high	107 Å²	107	56.2 Å²	56.2	75%	0.748	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.6	-178.9	60.2	0	0	0	0	114.2	S118	S118-S120 VanDerWaalsContact C-N 3.27Å; S118-S120 PolarHBondContact O-N 3.07Å
121	F	97	Very high	96.8	Very high	67 Å²	67	55.1 Å²	55.1	29%	0.294	29%	0.291	S	S	.	.	S	Bend	trans	-84.7	154.4	-178.1	-64.6	-10.2	0	0	0	112.1	F117 S118 Q119 M125 K126 A129	F117-F121 HydrophobicContact CD1-CE2 4.19Å; F117-F121 AromaticContact CE1-CE2 3.71Å; F117-F121 HydrophobicContact CE1-CE2 3.71Å; F117-F121 HydrophobicContact CE1-CZ 4.15Å; F117-F121 HydrophobicContact CE2-CZ 4.21Å; F117-F121 AromaticContact CZ-CE2 3.93Å; F117-F121 HydrophobicContact CZ-CE2 3.93Å; F117-F121 AromaticContact CZ-CZ 3.91Å; F117-F121 HydrophobicContact CZ-CZ 3.91Å; S118-F121 WeakPolarHBondContact O-CB 3.49Å; S118-F121 PolarHBondContact O-N 3.18Å; S118-F121 VanDerWaalsContact O-N 3.07Å; Q119-F121 VanDerWaalsContact C-N 3.27Å; Q119-F121 PolarHBondContact O-N 3.03Å; F121-M125 HydrophobicContact CB-CB 3.71Å; F121-M125 HydrophobicContact CD2-CB 4.12Å; F121-M125 HydrophobicContact CG-CB 4Å; F121-K126 HydrophobicContact CB-CG 3.93Å; F121-K126 WeakPolarHBondContact O-CE 3Å; F121-K126 PolarHBondContact O-NZ 2.78Å; F121-K126 VanDerWaalsContact O-NZ 3.13Å; F121-A129 HydrophobicContact CD2-CB 4.31Å; F121-A129 HydrophobicContact CE2-CB 4.24Å
122	D	96.7	Very high	96.5	Very high	101 Å²	101	59.8 Å²	59.8	54%	0.54	32%	0.316	S	S	.	.			trans	-67.4	170.3	164.9	74.1	28.6	0	0	0	111.3	A124 M125 K126	D122-A124 VanDerWaalsContact C-N 3.28Å; D122-A124 PolarHBondContact O-N 3.29Å; D122-A124 WeakPolarHBondContact OD1-CA 3.31Å; D122-A124 WeakPolarHBondContact OD1-CB 3.43Å; D122-A124 PolarHBondContact OD1-N 3.15Å; D122-M125 PolarHBondContact O-N 3.08Å; D122-M125 WeakPolarHBondContact OD1-CB 3.39Å; D122-M125 PolarHBondContact OD1-N 3.19Å; D122-K126 WeakPolarHBondContact O-CG 3.36Å; D122-K126 PolarHBondContact O-N 2.99Å
123	A	97.8	Very high	96.4	Very high	23 Å²	23	58.2 Å²	58.2	19%	0.19	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-34.4	-176.4	0	0	0	0	0	113.4	F79 K81 G127	F79-A123 HydrophobicContact CD1-CB 3.57Å; F79-A123 HydrophobicContact CE1-CB 3.85Å; K81-A123 HydrophobicContact CD-CB 4.45Å; K81-A123 HydrophobicContact CG-CB 3.93Å; K81-A123 PolarHBondContact N-O 3.12Å; A123-G127 PolarHBondContact O-N 2.8Å; A123-G127 VanDerWaalsContact O-N 3.11Å
124	A	97	Very high	96.3	Very high	36 Å²	36	58 Å²	58	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-71.1	-44.1	179.9	0	0	0	0	0	111	D122 G127 L128	D122-A124 VanDerWaalsContact C-N 3.28Å; D122-A124 PolarHBondContact O-N 3.29Å; D122-A124 WeakPolarHBondContact OD1-CA 3.31Å; D122-A124 WeakPolarHBondContact OD1-CB 3.43Å; D122-A124 PolarHBondContact OD1-N 3.15Å; A124-G127 PolarHBondContact O-N 2.88Å; A124-L128 PolarHBondContact O-N 3Å
125	M	97.1	Very high	96.2	Very high	88 Å²	88	60.2 Å²	60.2	43%	0.433	32%	0.322	S	S	.	.	H	α-helix	trans	-68	-35.3	176.3	-72.9	-58.3	102.7	0	0	112.1	F121 D122 G127 L128 A129	F121-M125 HydrophobicContact CB-CB 3.71Å; F121-M125 HydrophobicContact CD2-CB 4.12Å; F121-M125 HydrophobicContact CG-CB 4Å; D122-M125 PolarHBondContact O-N 3.08Å; D122-M125 WeakPolarHBondContact OD1-CB 3.39Å; D122-M125 PolarHBondContact OD1-N 3.19Å; M125-G127 VanDerWaalsContact C-N 3.31Å; M125-G127 PolarHBondContact O-N 3.19Å; M125-L128 HydrophobicContact CE-CB 4.49Å; M125-L128 HydrophobicContact CE-CD2 3.88Å; M125-L128 PolarHBondContact O-N 3Å; M125-L128 HydrophobicContact SD-CD2 4.15Å; M125-A129 VanDerWaalsContact O-CB 3.3Å; M125-A129 WeakPolarHBondContact O-CB 3.38Å; M125-A129 PolarHBondContact O-N 3.09Å
126	K	98.1	Very high	96.2	Very high	15 Å²	15	57.7 Å²	57.7	7%	0.065	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-43.6	168.5	-75.6	172.6	173.6	153.6	0	111.5	F78 F79 A80 S118 Q119 F121 D122 A129 L130	F78-K126 HydrophobicContact CE2-CD 4.18Å; F78-K126 HydrophobicContact CE2-CG 4.46Å; F78-K126 HydrophobicContact CZ-CB 4.4Å; F78-K126 HydrophobicContact CZ-CD 4.18Å; F78-K126 HydrophobicContact CZ-CG 4.22Å; F79-K126 WeakPolarHBondContact O-CD 3.34Å; A80-K126 HydrophobicContact CB-CB 3.72Å; S118-K126 WeakPolarHBondContact O-CE 3.36Å; S118-K126 WeakPolarHBondContact O-CG 3.28Å; Q119-K126 WeakPolarHBondContact O-CE 3.48Å; Q119-K126 PolarHBondContact O-NZ 3.17Å; F121-K126 HydrophobicContact CB-CG 3.93Å; F121-K126 WeakPolarHBondContact O-CE 3Å; F121-K126 PolarHBondContact O-NZ 2.78Å; F121-K126 VanDerWaalsContact O-NZ 3.13Å; D122-K126 WeakPolarHBondContact O-CG 3.36Å; D122-K126 PolarHBondContact O-N 2.99Å; K126-A129 PolarHBondContact O-N 3.16Å; K126-L130 PolarHBondContact O-N 2.94Å
127	G	96.7	Very high	96.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-43.8	174.8	0	0	0	0	0	113.7	K81 V83 A123 A124 M125 L130 S131	K81-G127 WeakPolarHBondContact O-CA 3.42Å; V83-G127 WeakPolarHBondContact CG2-O 3.47Å; A123-G127 PolarHBondContact O-N 2.8Å; A123-G127 VanDerWaalsContact O-N 3.11Å; A124-G127 PolarHBondContact O-N 2.88Å; M125-G127 VanDerWaalsContact C-N 3.31Å; M125-G127 PolarHBondContact O-N 3.19Å; G127-L130 WeakPolarHBondContact O-CB 3.4Å; G127-L130 PolarHBondContact O-N 3.4Å; G127-S131 PolarHBondContact O-N 3.33Å; G127-S131 VanDerWaalsContact O-N 3.17Å
128	L	95.9	Very high	96.1	Very high	73 Å²	73	55 Å²	55	38%	0.382	30%	0.297	S	S	.	.	H	α-helix	trans	-70.6	-36.6	177.7	-175.1	66.3	0	0	0	112	V83 A124 M125 L130 S131 N132	V83-L128 HydrophobicContact CG2-CB 4.3Å; A124-L128 PolarHBondContact O-N 3Å; M125-L128 HydrophobicContact CE-CB 4.49Å; M125-L128 HydrophobicContact CE-CD2 3.88Å; M125-L128 PolarHBondContact O-N 3Å; M125-L128 HydrophobicContact SD-CD2 4.15Å; L128-L130 PolarHBondContact O-N 3.03Å; L128-S131 PolarHBondContact O-N 2.9Å; L128-S131 PolarHBondContact O-OG 3.06Å; L128-N132 PolarHBondContact O-N 3.4Å; L128-N132 PolarHBondContact O-ND2 2.94Å
129	A	96.6	Very high	96.1	Very high	11 Å²	11	56.1 Å²	56.1	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-60.4	-40.1	171.6	0	0	0	0	0	110.3	F114 F117 F121 M125 K126 S131 N132 S133	F114-A129 HydrophobicContact CE2-CB 3.75Å; F114-A129 HydrophobicContact CZ-CB 4.35Å; F117-A129 HydrophobicContact CD1-CB 4.47Å; F117-A129 HydrophobicContact CE1-CB 4.06Å; F121-A129 HydrophobicContact CD2-CB 4.31Å; F121-A129 HydrophobicContact CE2-CB 4.24Å; M125-A129 VanDerWaalsContact O-CB 3.3Å; M125-A129 WeakPolarHBondContact O-CB 3.38Å; M125-A129 PolarHBondContact O-N 3.09Å; K126-A129 PolarHBondContact O-N 3.16Å; A129-S131 VanDerWaalsContact C-N 3.33Å; A129-S131 PolarHBondContact O-N 3.4Å; A129-N132 CarbonylContact O-C 3.6Å; A129-N132 PolarHBondContact O-N 3.35Å; A129-N132 VanDerWaalsContact O-N 3.14Å; A129-S133 PolarHBondContact O-N 3.19Å; A129-S133 VanDerWaalsContact O-N 3.11Å
130	L	96.1	Very high	96.2	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-38.6	177.2	-169.8	66.3	0	0	0	112.2	T90 Q91 V94 F114 K126 G127 L128 N132 S133 I136	T90-L130 HydrophobicContact CG2-CD1 4.27Å; T90-L130 HydrophobicContact CG2-CD2 4.17Å; T90-L130 HydrophobicContact CG2-CG 4.48Å; Q91-L130 HydrophobicContact CG-CD2 4.23Å; V94-L130 HydrophobicContact CG1-CD1 4.43Å; V94-L130 HydrophobicContact CG2-CD1 4Å; F114-L130 HydrophobicContact CE1-CD1 3.87Å; F114-L130 HydrophobicContact CE2-CB 4.38Å; F114-L130 HydrophobicContact CE2-CD1 4.42Å; F114-L130 HydrophobicContact CZ-CB 3.84Å; F114-L130 HydrophobicContact CZ-CD1 3.77Å; F114-L130 HydrophobicContact CZ-CG 4.42Å; K126-L130 PolarHBondContact O-N 2.94Å; G127-L130 WeakPolarHBondContact O-CB 3.4Å; G127-L130 PolarHBondContact O-N 3.4Å; L128-L130 PolarHBondContact O-N 3.03Å; L130-N132 PolarHBondContact O-N 3.26Å; L130-S133 PolarHBondContact O-N 3.44Å; L130-I136 HydrophobicContact CD1-CD1 3.69Å; L130-I136 HydrophobicContact CD1-CG2 3.95Å
131	S	91.3	Very high	96.3	Very high	13 Å²	13	47.8 Å²	47.8	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-31.9	175.5	76.1	0	0	0	0	113.5	I84 G127 L128 A129 R137	I84-S131 VanDerWaalsContact CD1-CA 3.47Å; G127-S131 PolarHBondContact O-N 3.33Å; G127-S131 VanDerWaalsContact O-N 3.17Å; L128-S131 PolarHBondContact O-N 2.9Å; L128-S131 PolarHBondContact O-OG 3.06Å; A129-S131 VanDerWaalsContact C-N 3.33Å; A129-S131 PolarHBondContact O-N 3.4Å; S131-R137 PolarHBondContact O-NH1 3.04Å
132	N	92.5	Very high	96.2	Very high	99 Å²	99	46.7 Å²	46.7	53%	0.529	26%	0.255	S	S	.	.	H	α-helix	trans	-91.9	-5.6	-175	-66.8	-24.4	0	0	0	112.9	L128 A129 L130 D134	L128-N132 PolarHBondContact O-N 3.4Å; L128-N132 PolarHBondContact O-ND2 2.94Å; A129-N132 CarbonylContact O-C 3.6Å; A129-N132 PolarHBondContact O-N 3.35Å; A129-N132 VanDerWaalsContact O-N 3.14Å; L130-N132 PolarHBondContact O-N 3.26Å; N132-D134 PolarHBondContact O-N 2.87Å; N132-D134 VanDerWaalsContact O-N 3.15Å
133	S	96.2	Very high	96.1	Very high	20 Å²	20	42.7 Å²	42.7	14%	0.14	23%	0.233	C	C	.	.			trans	-71.9	107.2	171.7	177.9	0	0	0	0	110.2	A129 L130 V135 I136 R137	A129-S133 PolarHBondContact O-N 3.19Å; A129-S133 VanDerWaalsContact O-N 3.11Å; L130-S133 PolarHBondContact O-N 3.44Å; S133-V135 PolarHBondContact O-N 3.5Å; S133-I136 PolarHBondContact O-N 2.8Å; S133-I136 WeakPolarHBondContact OG-CB 3.28Å; S133-I136 WeakPolarHBondContact OG-CD1 3.24Å; S133-I136 VanDerWaalsContact OG-CG1 3.27Å; S133-I136 WeakPolarHBondContact OG-CG1 3.06Å; S133-R137 WeakPolarHBondContact O-CB 3.45Å; S133-R137 PolarHBondContact O-N 2.77Å
134	D	95.8	Very high	95.9	Very high	104 Å²	104	43.6 Å²	43.6	56%	0.556	24%	0.241	S	C	*	.	H	α-helix	trans	-59.6	-46.1	-176.5	-70.8	-32.9	0	0	0	112.4	N132 R137 Q138	N132-D134 PolarHBondContact O-N 2.87Å; N132-D134 VanDerWaalsContact O-N 3.15Å; D134-R137 PolarHBondContact O-N 2.84Å; D134-R137 IonicContact OD1-CZ 2.65Å; D134-R137 IonicContact OD1-NH1 3.12Å; D134-R137 PolarHBondContact OD1-NH1 3.49Å; D134-R137 IonicContact OD1-NH2 2.71Å; D134-R137 PolarHBondContact OD1-NH2 3.29Å; D134-Q138 VanDerWaalsContact O-CB 3.25Å; D134-Q138 WeakPolarHBondContact O-CB 3.33Å; D134-Q138 PolarHBondContact O-N 2.98Å
135	V	97.7	Very high	95.2	Very high	61 Å²	61	50.9 Å²	50.9	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-50.3	179.8	177.8	0	0	0	0	110.4	T110 S133 R137 Q138 V139	T110-V135 HydrophobicContact CG2-CB 3.87Å; T110-V135 HydrophobicContact CG2-CG1 3.95Å; T110-V135 HydrophobicContact CG2-CG2 4.39Å; S133-V135 PolarHBondContact O-N 3.5Å; V135-R137 PolarHBondContact O-N 2.76Å; V135-Q138 PolarHBondContact O-N 2.65Å; V135-V139 HydrophobicContact CG1-CG2 4.31Å; V135-V139 WeakPolarHBondContact O-CB 3.47Å; V135-V139 WeakPolarHBondContact O-CG2 3.33Å; V135-V139 PolarHBondContact O-N 3.32Å
136	I	97.5	Very high	94.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-45.6	-178.3	-64.2	175.9	0	0	0	110.1	W8 F25 T90 T110 L111 F114 L130 S133 Q138 V139 H140	W8-I136 HydrophobicContact CH2-CG2 3.96Å; F25-I136 HydrophobicContact CD1-CB 4.26Å; F25-I136 HydrophobicContact CD1-CG1 4.05Å; F25-I136 HydrophobicContact CD1-CG2 4.18Å; F25-I136 HydrophobicContact CE1-CB 4.18Å; F25-I136 HydrophobicContact CE1-CG1 4.42Å; F25-I136 HydrophobicContact CE1-CG2 3.7Å; F25-I136 HydrophobicContact CZ-CG2 4.18Å; T90-I136 HydrophobicContact CG2-CG2 3.45Å; T90-I136 VanDerWaalsContact CG2-CG2 3.45Å; T110-I136 HydrophobicContact CG2-CG1 4.27Å; L111-I136 HydrophobicContact CD2-CD1 4.06Å; F114-I136 HydrophobicContact CD1-CD1 4.46Å; F114-I136 HydrophobicContact CG-CD1 4.4Å; L130-I136 HydrophobicContact CD1-CD1 3.69Å; L130-I136 HydrophobicContact CD1-CG2 3.95Å; S133-I136 PolarHBondContact O-N 2.8Å; S133-I136 WeakPolarHBondContact OG-CB 3.28Å; S133-I136 WeakPolarHBondContact OG-CD1 3.24Å; S133-I136 VanDerWaalsContact OG-CG1 3.27Å; S133-I136 WeakPolarHBondContact OG-CG1 3.06Å; I136-Q138 PolarHBondContact O-N 2.96Å; I136-V139 PolarHBondContact O-N 2.88Å; I136-H140 WeakPolarHBondContact O-CB 3.31Å; I136-H140 PolarHBondContact O-N 2.77Å
137	R	96.2	Very high	92.6	Very high	77 Å²	77	60.1 Å²	60.1	29%	0.291	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-44.4	177.7	-175.8	175.5	70.8	-128.4	-5.2	111.4	W8 S131 S133 D134 V135 N141	W8-R137 HydrophobicContact CZ2-CB 3.85Å; W8-R137 HydrophobicContact CZ2-CG 4.01Å; S131-R137 PolarHBondContact O-NH1 3.04Å; S133-R137 WeakPolarHBondContact O-CB 3.45Å; S133-R137 PolarHBondContact O-N 2.77Å; D134-R137 PolarHBondContact O-N 2.84Å; D134-R137 IonicContact OD1-CZ 2.65Å; D134-R137 IonicContact OD1-NH1 3.12Å; D134-R137 PolarHBondContact OD1-NH1 3.49Å; D134-R137 IonicContact OD1-NH2 2.71Å; D134-R137 PolarHBondContact OD1-NH2 3.29Å; V135-R137 PolarHBondContact O-N 2.76Å; R137-N141 WeakPolarHBondContact CG-ND2 3.35Å; R137-N141 WeakPolarHBondContact O-CB 3.4Å; R137-N141 PolarHBondContact O-N 2.67Å; R137-N141 PolarHBondContact O-ND2 2.87Å
138	Q	96.1	Very high	90.9	Very high	148 Å²	148	64.6 Å²	64.6	69%	0.692	33%	0.325	S	S	*	.	H	α-helix	trans	-65.2	-44.7	179	-177.5	-179.1	-6.4	0	0	111.6	D134 V135 I136 N141 S142	D134-Q138 VanDerWaalsContact O-CB 3.25Å; D134-Q138 WeakPolarHBondContact O-CB 3.33Å; D134-Q138 PolarHBondContact O-N 2.98Å; V135-Q138 PolarHBondContact O-N 2.65Å; I136-Q138 PolarHBondContact O-N 2.96Å; Q138-N141 PolarHBondContact O-N 3.43Å; Q138-S142 WeakPolarHBondContact O-CB 3.47Å; Q138-S142 PolarHBondContact O-N 2.89Å
139	V	97.5	Very high	89.2	Confident	23 Å²	23	67.3 Å²	67.3	14%	0.139	33%	0.334	C	S	.	.	H	α-helix	trans	-63.1	-46.9	-179.9	168.4	0	0	0	0	110.8	L21 G24 F25 V135 I136 S142	L21-V139 HydrophobicContact CD2-CG1 3.81Å; G24-V139 WeakPolarHBondContact O-CG2 3.42Å; F25-V139 HydrophobicContact CD1-CB 3.87Å; F25-V139 HydrophobicContact CD1-CG1 3.65Å; F25-V139 HydrophobicContact CD1-CG2 4.37Å; F25-V139 HydrophobicContact CE1-CB 3.7Å; F25-V139 HydrophobicContact CE1-CG1 3.46Å; F25-V139 VanDerWaalsContact CE1-CG1 3.46Å; F25-V139 HydrophobicContact CZ-CG1 4.25Å; V135-V139 HydrophobicContact CG1-CG2 4.31Å; V135-V139 WeakPolarHBondContact O-CB 3.47Å; V135-V139 WeakPolarHBondContact O-CG2 3.33Å; V135-V139 PolarHBondContact O-N 3.32Å; I136-V139 PolarHBondContact O-N 2.88Å; V139-S142 WeakPolarHBondContact O-CB 3.24Å; V139-S142 PolarHBondContact O-N 3.33Å; V139-S142 PolarHBondContact O-OG 3.05Å
140	H	97.4	Very high	87.2	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-58.4	-55.6	175.3	-177.2	104.6	0	0	0	111	W8 C9 M11 T90 I136 S142 F143	W8-H140 AromaticContact CD2-CD2 3.96Å; W8-H140 HydrophobicContact CE3-CB 3.84Å; W8-H140 AromaticContact CE3-CD2 3.44Å; W8-H140 VanDerWaalsContact CE3-CD2 3.44Å; W8-H140 AromaticContact CE3-CE1 3.67Å; W8-H140 AromaticContact CE3-CG 3.31Å; W8-H140 AromaticContact CE3-ND1 3.47Å; W8-H140 AromaticContact CE3-NE2 3.67Å; W8-H140 HydrophobicContact CZ3-CB 3.8Å; W8-H140 AromaticContact CZ3-CG 3.66Å; W8-H140 AromaticContact CZ3-ND1 3.71Å; C9-H140 PolarHBondContact O-NE2 3.45Å; M11-H140 WeakPolarHBondContact CE-O 3.32Å; T90-H140 PolarHBondContact OG1-ND1 2.95Å; I136-H140 WeakPolarHBondContact O-CB 3.31Å; I136-H140 PolarHBondContact O-N 2.77Å; H140-S142 PolarHBondContact O-N 2.83Å; H140-S142 VanDerWaalsContact O-N 3.1Å; H140-F143 PolarHBondContact O-N 3.11Å
141	N	95.6	Very high	84.9	Confident	44 Å²	44	83.4 Å²	83.4	24%	0.235	41%	0.405	C	S	.	.	H	α-helix	trans	-73.3	-5	-175.6	-67.7	-63.1	0	0	0	113.9	W8 C9 R137 Q138 F143 A144	W8-N141 VanDerWaalsContact CA-OD1 3.27Å; W8-N141 WeakPolarHBondContact CA-OD1 3.22Å; C9-N141 PolarHBondContact N-OD1 3.23Å; R137-N141 WeakPolarHBondContact CG-ND2 3.35Å; R137-N141 WeakPolarHBondContact O-CB 3.4Å; R137-N141 PolarHBondContact O-N 2.67Å; R137-N141 PolarHBondContact O-ND2 2.87Å; Q138-N141 PolarHBondContact O-N 3.43Å; N141-F143 PolarHBondContact O-N 3.48Å; N141-A144 WeakPolarHBondContact O-CB 3.46Å; N141-A144 PolarHBondContact O-N 2.93Å
142	S	95.1	Very high	82.4	Confident	44 Å²	44	89.5 Å²	89.5	31%	0.308	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.4	170.1	78	0	0	0	0	112.9	Q138 V139 H140 K288	Q138-S142 WeakPolarHBondContact O-CB 3.47Å; Q138-S142 PolarHBondContact O-N 2.89Å; V139-S142 WeakPolarHBondContact O-CB 3.24Å; V139-S142 PolarHBondContact O-N 3.33Å; V139-S142 PolarHBondContact O-OG 3.05Å; H140-S142 PolarHBondContact O-N 2.83Å; H140-S142 VanDerWaalsContact O-N 3.1Å; S142-K288 VanDerWaalsContact O-CD 3.26Å; S142-K288 WeakPolarHBondContact O-CD 3.46Å; S142-K288 WeakPolarHBondContact O-CE 3.19Å; S142-K288 VanDerWaalsContact O-CG 3.26Å; S142-K288 WeakPolarHBondContact O-CG 3.29Å; S142-K288 PolarHBondContact OG-NZ 3.36Å
143	F	94.9	Very high	80.1	Confident	16 Å²	16	91 Å²	91	7%	0.07	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	2.9	174.6	-70.9	-87	0	0	0	113.7	M11 V17 E20 L21 H140 N141 R145 K288	M11-F143 HydrophobicContact CE-CB 3.93Å; M11-F143 HydrophobicContact CE-CD2 4.23Å; M11-F143 HydrophobicContact CE-CG 4.35Å; M11-F143 HydrophobicContact SD-CB 3.66Å; M11-F143 HydrophobicContact SD-CD2 4.06Å; M11-F143 HydrophobicContact SD-CG 3.83Å; V17-F143 HydrophobicContact CB-CE1 4.15Å; V17-F143 HydrophobicContact CB-CZ 4.47Å; V17-F143 HydrophobicContact CG1-CD1 3.93Å; V17-F143 HydrophobicContact CG1-CD2 4.44Å; V17-F143 HydrophobicContact CG1-CE1 3.84Å; V17-F143 HydrophobicContact CG1-CE2 4.36Å; V17-F143 HydrophobicContact CG1-CG 4.23Å; V17-F143 HydrophobicContact CG1-CZ 4.05Å; V17-F143 HydrophobicContact CG2-CD1 4.14Å; V17-F143 HydrophobicContact CG2-CE1 3.82Å; E20-F143 HydrophobicContact CB-CZ 3.89Å; E20-F143 HydrophobicContact CG-CE2 4.31Å; E20-F143 HydrophobicContact CG-CZ 3.78Å; L21-F143 HydrophobicContact CD2-CD2 3.76Å; L21-F143 HydrophobicContact CD2-CE2 3.68Å; L21-F143 HydrophobicContact CG-CD2 4.36Å; L21-F143 HydrophobicContact CG-CE2 3.99Å; H140-F143 PolarHBondContact O-N 3.11Å; N141-F143 PolarHBondContact O-N 3.48Å; F143-R145 PolarHBondContact O-N 2.88Å; F143-R145 VanDerWaalsContact O-N 3.17Å; F143-K288 HydrophobicContact CD1-CG 4.44Å; F143-K288 VanDerWaalsContact CE2-NZ 3.33Å
144	A	92.3	Very high	77.4	Confident	43 Å²	43	98.9 Å²	98.9	36%	0.355	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-60.9	120	175.4	0	0	0	0	0	110.1	C9 N141 Q146	C9-A144 HydrophobicContact CB-CB 3.65Å; N141-A144 WeakPolarHBondContact O-CB 3.46Å; N141-A144 PolarHBondContact O-N 2.93Å; A144-Q146 PolarHBondContact O-N 3.44Å
145	R	82	Confident	74.9	Confident	188 Å²	188	99.5 Å²	99.5	71%	0.709	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-68.6	130	172.7	-68.3	-174.2	-177.6	-176.7	1.7	108.7	F143 Q147	F143-R145 PolarHBondContact O-N 2.88Å; F143-R145 VanDerWaalsContact O-N 3.17Å; R145-Q147 PolarHBondContact O-N 2.94Å
146	Q	74.8	Confident	72.2	Confident	130 Å²	130	101.7 Å²	101.7	61%	0.607	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-67.9	119.5	172.8	-62.4	-140.7	-25.3	0	0	109.1	A144 M148 N290	A144-Q146 PolarHBondContact O-N 3.44Å; Q146-M148 PolarHBondContact O-N 3.41Å; Q146-N290 HydrophobicContact CG-CB 4.44Å; Q146-N290 PolarHBondContact OE1-ND2 3.28Å
147	Q	67	Low	69.7	Low	168 Å²	168	106 Å²	106	79%	0.785	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-69.3	126.6	170.1	-71.6	-175.7	-23.9	0	0	108.1	R145 F149	R145-Q147 PolarHBondContact O-N 2.94Å; Q147-F149 PolarHBondContact O-N 2.95Å
148	M	61	Low	67.4	Low	94 Å²	94	111 Å²	111	46%	0.463	57%	0.566	S	S	.	*	S	Bend	trans	-65.4	-20.8	-177.1	-66.1	-169.2	-175.5	0	0	112.6	Q146 I295	Q146-M148 PolarHBondContact O-N 3.41Å; M148-I295 HydrophobicContact CE-CD1 3.32Å; M148-I295 HydrophobicContact SD-CD1 3.59Å; M148-I295 VanDerWaalsContact SD-CD1 3.59Å
149	F	59.4	Low	65.5	Low	130 Å²	130	113.5 Å²	113.5	57%	0.57	58%	0.578	S	S	*	*	S	Bend	trans	-151.5	138.1	-179.7	-55.9	-79.5	0	0	0	109	Q147 F151	Q147-F149 PolarHBondContact O-N 2.95Å; F149-F151 HydrophobicContact CB-CD2 3.42Å; F149-F151 VanDerWaalsContact CB-CD2 3.42Å; F149-F151 HydrophobicContact CB-CE2 3.44Å; F149-F151 VanDerWaalsContact CB-CE2 3.44Å; F149-F151 HydrophobicContact CB-CG 4.35Å; F149-F151 HydrophobicContact CB-CZ 4.39Å; F149-F151 HydrophobicContact CD2-CD2 4.3Å; F149-F151 AromaticContact CD2-CE2 3.63Å; F149-F151 HydrophobicContact CD2-CE2 3.63Å; F149-F151 HydrophobicContact CG-CD2 4.13Å; F149-F151 AromaticContact CG-CE2 3.61Å; F149-F151 HydrophobicContact CG-CE2 3.61Å; F149-F151 HydrophobicContact CG-CZ 4.41Å; F149-F151 PolarHBondContact O-N 3.41Å
150	E	54.3	Low	64.3	Low	195 Å²	195	120.8 Å²	120.8	91%	0.911	61%	0.611	S	S	*	*			trans	-72.4	77.4	160.5	-71.5	-177.9	171.5	0	0	107.7	D152	E150-D152 PolarHBondContact O-N 2.95Å
151	F	47.3	Very low	63.8	Low	155 Å²	155	124.2 Å²	124.2	68%	0.68	63%	0.629	S	S	*	*			trans	-73.8	121	168.2	-85.8	-75.7	0	0	0	108.1	F149 T153	F149-F151 HydrophobicContact CB-CD2 3.42Å; F149-F151 VanDerWaalsContact CB-CD2 3.42Å; F149-F151 HydrophobicContact CB-CE2 3.44Å; F149-F151 VanDerWaalsContact CB-CE2 3.44Å; F149-F151 HydrophobicContact CB-CG 4.35Å; F149-F151 HydrophobicContact CB-CZ 4.39Å; F149-F151 HydrophobicContact CD2-CD2 4.3Å; F149-F151 AromaticContact CD2-CE2 3.63Å; F149-F151 HydrophobicContact CD2-CE2 3.63Å; F149-F151 HydrophobicContact CG-CD2 4.13Å; F149-F151 AromaticContact CG-CE2 3.61Å; F149-F151 HydrophobicContact CG-CE2 3.61Å; F149-F151 HydrophobicContact CG-CZ 4.41Å; F149-F151 PolarHBondContact O-N 3.41Å; F151-T153 VanDerWaalsContact C-N 3.34Å; F151-T153 PolarHBondContact O-N 2.93Å
152	D	40.7	Very low	63.6	Low	141 Å²	141	124.7 Å²	124.7	75%	0.754	64%	0.639	S	S	*	*			trans	-51.8	99	163.7	-109.9	-11.9	0	0	0	107.7	E150 K154	E150-D152 PolarHBondContact O-N 2.95Å; D152-K154 PolarHBondContact O-N 3.49Å
153	T	42.3	Very low	63.6	Low	129 Å²	129	126.3 Å²	126.3	79%	0.791	64%	0.641	S	S	*	*			trans	-72.8	72.2	-179.4	13.9	0	0	0	0	109.6	F151	F151-T153 VanDerWaalsContact C-N 3.34Å; F151-T153 PolarHBondContact O-N 2.93Å
154	K	41.4	Very low	63.8	Low	187 Å²	187	125.9 Å²	125.9	81%	0.813	64%	0.639	S	S	*	*			trans	-94.9	-2	163	-71.6	-173.6	-180	173	0	112.5	D152 S156	D152-K154 PolarHBondContact O-N 3.49Å; K154-S156 PolarHBondContact O-N 2.96Å; K154-S156 VanDerWaalsContact O-N 3.14Å
155	T	42.1	Very low	64.1	Low	117 Å²	117	124.3 Å²	124.3	72%	0.718	62%	0.624	S	S	*	*	S	Bend	trans	-76.8	99.5	169.1	14.9	0	0	0	0	109	A157	T155-A157 PolarHBondContact O-N 3.12Å
156	S	41.6	Very low	64.8	Low	106 Å²	106	115.3 Å²	115.3	74%	0.741	59%	0.59	S	S	*	*			trans	-2.2	94.2	164.3	58.5	0	0	0	0	113.4	K154 K158	K154-S156 PolarHBondContact O-N 2.96Å; K154-S156 VanDerWaalsContact O-N 3.14Å; S156-K158 VanDerWaalsContact C-N 3.26Å; S156-K158 PolarHBondContact O-N 2.67Å
157	A	44.5	Very low	66	Low	92 Å²	92	109.1 Å²	109.1	76%	0.76	56%	0.561	S	S	*	*			trans	-57.5	100.3	164.7	0	0	0	0	0	105.9	T155 E159	T155-A157 PolarHBondContact O-N 3.12Å; A157-E159 PolarHBondContact O-N 3.35Å
158	K	47.5	Very low	67.5	Low	181 Å²	181	101.1 Å²	101.1	79%	0.787	52%	0.524	S	S	*	.			trans	-47.2	136.1	154.1	-77.6	-179.9	172.4	-179.9	0	105.1	S156 E160	S156-K158 VanDerWaalsContact C-N 3.26Å; S156-K158 PolarHBondContact O-N 2.67Å; K158-E160 PolarHBondContact O-N 3.09Å
159	E	57.1	Low	69.3	Low	200 Å²	200	96.7 Å²	96.7	94%	0.935	50%	0.502	S	S	*	.			trans	-45.8	96.6	173.3	-74.1	179	153.6	0	0	108.2	A157 D161	A157-E159 PolarHBondContact O-N 3.35Å; E159-D161 PolarHBondContact O-N 2.76Å
160	E	72.4	Confident	71.2	Confident	177 Å²	177	90.8 Å²	90.8	83%	0.827	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-74.4	129.7	-177.6	-110.2	-179.5	169.9	0	0	105.3	K158 A162	K158-E160 PolarHBondContact O-N 3.09Å; E160-A162 PolarHBondContact O-N 3.19Å
161	D	86.3	Confident	73.3	Confident	72 Å²	72	82 Å²	82	39%	0.385	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-58.5	117.2	179.2	-79.2	-53.6	0	0	0	109.1	K57 E159 F163 R217	K57-D161 HydrophobicContact CD-CB 4.28Å; K57-D161 WeakPolarHBondContact CD-OD1 3.32Å; K57-D161 HydrophobicContact CG-CB 4.34Å; K57-D161 IonicContact NZ-OD1 2.77Å; K57-D161 PolarHBondContact NZ-OD1 2.91Å; E159-D161 PolarHBondContact O-N 2.76Å; D161-F163 HydrophobicContact CB-CE2 3.77Å; D161-F163 HydrophobicContact CB-CZ 4.12Å; D161-F163 WeakPolarHBondContact O-CD2 3.35Å; D161-R217 IonicContact OD2-CZ 3.75Å; D161-R217 IonicContact OD2-NH1 3.95Å; D161-R217 PolarHBondContact OD2-NH1 3Å; D161-R217 IonicContact OD2-NH2 3.77Å
162	A	92	Very high	75.6	Confident	54 Å²	54	81 Å²	81	45%	0.446	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-78.6	126.6	174.2	0	0	0	0	0	109	K57 W58 E160	K57-A162 CarbonylContact C-O 3.52Å; K57-A162 WeakPolarHBondContact CA-O 3.37Å; W58-A162 HydrophobicContact CB-CB 4.26Å; W58-A162 PolarHBondContact N-O 2.98Å; E160-A162 PolarHBondContact O-N 3.19Å
163	F	95.4	Very high	78.3	Confident	78 Å²	78	75.5 Å²	75.5	34%	0.342	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144.3	173	-67.8	-85.7	0	0	0	110.1	L55 F56 K57 D161 R217	L55-F163 HydrophobicContact CD1-CB 4.11Å; L55-F163 HydrophobicContact CD2-CB 4.33Å; L55-F163 HydrophobicContact CD2-CD1 3.74Å; L55-F163 HydrophobicContact CD2-CG 4.35Å; L55-F163 HydrophobicContact CG-CB 4.28Å; L55-F163 HydrophobicContact CG-CD1 4.49Å; F56-F163 WeakPolarHBondContact O-CA 3.45Å; K57-F163 HydrophobicContact CB-CD1 4.23Å; K57-F163 HydrophobicContact CB-CE1 3.95Å; K57-F163 HydrophobicContact CG-CE1 4.4Å; D161-F163 HydrophobicContact CB-CE2 3.77Å; D161-F163 HydrophobicContact CB-CZ 4.12Å; D161-F163 WeakPolarHBondContact O-CD2 3.35Å; F163-R217 HydrophobicContact CE1-CB 3.73Å; F163-R217 HydrophobicContact CZ-CB 4.15Å
164	H	97.5	Very high	80.9	Confident	7 Å²	7	73.2 Å²	73.2	3%	0.032	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.7	-173.9	-168.9	52.8	0	0	0	112.1	L55 F56 W58 D179 L181	L55-H164 VanDerWaalsContact CA-O 3.3Å; L55-H164 WeakPolarHBondContact CA-O 3.36Å; F56-H164 HydrophobicContact CE2-CB 4.19Å; F56-H164 HydrophobicContact CZ-CB 4.27Å; F56-H164 AromaticContact CZ-CD2 3.88Å; F56-H164 PolarHBondContact N-O 2.99Å; F56-H164 VanDerWaalsContact N-O 3.17Å; F56-H164 PolarHBondContact O-N 2.66Å; W58-H164 HydrophobicContact CB-CB 4.03Å; W58-H164 HydrophobicContact CG-CB 4.36Å; H164-D179 IonicContact CD2-OD1 3.74Å; H164-D179 IonicContact CE1-OD1 4Å; H164-D179 IonicContact NE2-OD1 3.63Å; H164-D179 PolarHBondContact NE2-OD1 2.93Å; H164-D179 IonicContact NE2-OD2 3.7Å; H164-L181 VanDerWaalsContact CE1-CD1 3.47Å; H164-L181 WeakPolarHBondContact CE1-CD1 3.33Å
165	F	98.5	Very high	83.7	Confident	9 Å²	9	64.4 Å²	64.4	4%	0.039	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.8	175	-71.1	-74.7	0	0	0	110.2	M11 F18 I53 F54 L55 C88 A89 A92 M221	M11-F165 HydrophobicContact CB-CE2 4.39Å; F18-F165 HydrophobicContact CE1-CE1 4.46Å; F18-F165 HydrophobicContact CE2-CE1 4.12Å; F18-F165 HydrophobicContact CE2-CE2 4.44Å; F18-F165 AromaticContact CE2-CZ 3.84Å; F18-F165 HydrophobicContact CE2-CZ 3.84Å; F18-F165 HydrophobicContact CZ-CD1 4.04Å; F18-F165 HydrophobicContact CZ-CD2 4.33Å; F18-F165 AromaticContact CZ-CE1 3.6Å; F18-F165 HydrophobicContact CZ-CE1 3.6Å; F18-F165 AromaticContact CZ-CE2 3.96Å; F18-F165 HydrophobicContact CZ-CE2 3.96Å; F18-F165 HydrophobicContact CZ-CG 4.37Å; F18-F165 AromaticContact CZ-CZ 3.56Å; F18-F165 HydrophobicContact CZ-CZ 3.56Å; I53-F165 HydrophobicContact CG2-CB 4.32Å; I53-F165 HydrophobicContact CG2-CD1 3.56Å; I53-F165 HydrophobicContact CG2-CE1 4.25Å; I53-F165 HydrophobicContact CG2-CG 4.31Å; F54-F165 WeakPolarHBondContact O-CA 3.5Å; L55-F165 HydrophobicContact CB-CD1 3.74Å; L55-F165 HydrophobicContact CB-CE1 3.66Å; L55-F165 HydrophobicContact CB-CZ 4.43Å; L55-F165 HydrophobicContact CD1-CD1 3.92Å; L55-F165 HydrophobicContact CD1-CD2 4.23Å; L55-F165 HydrophobicContact CD1-CE1 3.4Å; L55-F165 VanDerWaalsContact CD1-CE1 3.4Å; L55-F165 HydrophobicContact CD1-CE2 3.72Å; L55-F165 HydrophobicContact CD1-CG 4.33Å; L55-F165 HydrophobicContact CD1-CZ 3.28Å; L55-F165 HydrophobicContact CG-CD1 4.36Å; L55-F165 HydrophobicContact CG-CE1 4.14Å; L55-F165 HydrophobicContact CG-CZ 4.45Å; C88-F165 HydrophobicContact CB-CB 4.14Å; A89-F165 HydrophobicContact CB-CD2 3.87Å; A89-F165 HydrophobicContact CB-CE2 4.02Å; A92-F165 HydrophobicContact CB-CB 4.12Å; F165-M221 HydrophobicContact CE1-CE 4Å
166	V	98.6	Very high	86.4	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.2	170.5	-55.1	0	0	0	0	110.1	I53 F54 F56 Y168 D179	I53-V166 CarbonylContact C-O 3.51Å; I53-V166 WeakPolarHBondContact CA-O 3.44Å; F54-V166 HydrophobicContact CB-CG2 4.16Å; F54-V166 PolarHBondContact N-O 2.91Å; F54-V166 PolarHBondContact O-N 3.43Å; F56-V166 HydrophobicContact CE1-CB 4.29Å; F56-V166 HydrophobicContact CE1-CG1 3.62Å; F56-V166 HydrophobicContact CE1-CG2 3.73Å; F56-V166 HydrophobicContact CZ-CG1 3.77Å; V166-Y168 HydrophobicContact CG2-CE2 4.25Å; V166-D179 HydrophobicContact CB-CB 4.21Å; V166-D179 HydrophobicContact CG1-CB 3.62Å
167	S	98.9	Very high	89.1	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.5	176.7	-70.2	0	0	0	0	112.5	L52 A92 E177 L178	L52-S167 CarbonylContact O-C 3.54Å; L52-S167 VanDerWaalsContact O-CA 3.24Å; L52-S167 WeakPolarHBondContact O-CA 3.15Å; A92-S167 WeakPolarHBondContact CA-OG 3.36Å; A92-S167 VanDerWaalsContact CB-OG 3.28Å; A92-S167 WeakPolarHBondContact CB-OG 3.3Å; A92-S167 PolarHBondContact O-OG 3.09Å; S167-E177 CarbonylContact O-C 3.6Å; S167-E177 WeakPolarHBondContact O-CA 3.37Å; S167-L178 PolarHBondContact N-O 3.24Å; S167-L178 PolarHBondContact O-N 3.07Å
168	Y	98.9	Very high	91.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.6	163.3	-59.3	-76	0	0	0	109.3	G51 L52 F54 V166 Y176 E177 L188 W196 V200 V203 I204	G51-Y168 CarbonylContact C-O 3.58Å; G51-Y168 VanDerWaalsContact CA-O 3.29Å; G51-Y168 WeakPolarHBondContact CA-O 3.43Å; L52-Y168 HydrophobicContact CB-CD2 4.43Å; L52-Y168 PolarHBondContact N-O 2.99Å; L52-Y168 PolarHBondContact O-N 3.37Å; F54-Y168 HydrophobicContact CB-CD2 4.22Å; F54-Y168 HydrophobicContact CB-CE2 3.69Å; F54-Y168 HydrophobicContact CD1-CE2 4.18Å; F54-Y168 HydrophobicContact CG-CE2 4.2Å; V166-Y168 HydrophobicContact CG2-CE2 4.25Å; Y168-Y176 VanDerWaalsContact CA-O 3.3Å; Y168-Y176 WeakPolarHBondContact CA-O 3.16Å; Y168-E177 HydrophobicContact CD1-CB 3.91Å; Y168-E177 HydrophobicContact CD1-CG 4.5Å; Y168-E177 HydrophobicContact CE1-CB 3.72Å; Y168-E177 HydrophobicContact CE1-CG 4.01Å; Y168-L188 HydrophobicContact CD1-CD1 3.66Å; Y168-L188 HydrophobicContact CE1-CD1 3.84Å; Y168-W196 WeakPolarHBondContact O-CH2 3.3Å; Y168-V200 HydrophobicContact CD1-CG2 3.91Å; Y168-V200 HydrophobicContact CD2-CG2 3.95Å; Y168-V200 HydrophobicContact CG-CG2 3.55Å; Y168-V203 HydrophobicContact CE1-CG1 3.78Å; Y168-I204 HydrophobicContact CD2-CD1 4.16Å; Y168-I204 HydrophobicContact CD2-CG1 4.18Å; Y168-I204 HydrophobicContact CE2-CD1 4.1Å; Y168-I204 HydrophobicContact CE2-CG1 3.68Å
169	V	98.7	Very high	94.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.9	-175.5	61.2	0	0	0	0	111.3	N99 V171 Y176 L178	N99-V169 HydrophobicContact CB-CG2 4.19Å; V169-V171 HydrophobicContact CG1-CG2 4.27Å; V169-V171 HydrophobicContact CG2-CG2 4.29Å; V169-Y176 PolarHBondContact N-O 3.13Å; V169-Y176 PolarHBondContact O-N 2.88Å; V169-L178 HydrophobicContact CG1-CD1 3.43Å; V169-L178 VanDerWaalsContact CG1-CD1 3.43Å; V169-L178 HydrophobicContact CG1-CG 3.86Å
170	P	98.5	Very high	96	Very high	5 Å²	5	32 Å²	32	3%	0.032	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	128.8	171.1	35.5	-38.2	0	0	0	110.5	R174 Q193 W196	P170-R174 CarbonylContact C-O 3.24Å; P170-R174 WeakPolarHBondContact CA-O 3.35Å; P170-Q193 PolarHBondContact O-NE2 2.65Å; P170-W196 HydrophobicContact CB-CB 3.99Å; P170-W196 HydrophobicContact CB-CD2 4.16Å; P170-W196 HydrophobicContact CB-CG 3.81Å; P170-W196 HydrophobicContact CG-CB 4.39Å; P170-W196 HydrophobicContact CG-CD2 3.79Å; P170-W196 HydrophobicContact CG-CG 3.68Å; P170-W196 HydrophobicContact CG-CZ2 4.28Å
171	V	98.2	Very high	97.2	Very high	12 Å²	12	27.5 Å²	27.5	7%	0.073	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	120.8	173.6	-174	0	0	0	0	109.1	I77 N99 V169 G173 R174 Y176	I77-V171 HydrophobicContact CG1-CG1 4.19Å; N99-V171 HydrophobicContact CB-CG2 3.85Å; V169-V171 HydrophobicContact CG1-CG2 4.27Å; V169-V171 HydrophobicContact CG2-CG2 4.29Å; V171-G173 VanDerWaalsContact C-N 3.32Å; V171-G173 PolarHBondContact O-N 2.83Å; V171-R174 PolarHBondContact N-O 3.32Å; V171-R174 PolarHBondContact O-N 3.23Å; V171-R174 VanDerWaalsContact O-N 3.15Å; V171-Y176 HydrophobicContact CB-CD2 3.96Å; V171-Y176 HydrophobicContact CB-CE2 3.75Å; V171-Y176 HydrophobicContact CG2-CD2 4.12Å; V171-Y176 HydrophobicContact CG2-CE2 4.41Å
172	N	96.5	Very high	97.7	Very high	133 Å²	133	26.2 Å²	26.2	71%	0.711	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	45.4	177.7	-59.5	-33.4	0	0	0	113.3	R174	N172-R174 VanDerWaalsContact C-N 3.3Å; N172-R174 PolarHBondContact O-N 2.69Å
173	G	97	Very high	97.9	Very high	26 Å²	26	29.2 Å²	29.2	27%	0.268	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	19	177.9	0	0	0	0	0	114.7	V171 C191	V171-G173 VanDerWaalsContact C-N 3.32Å; V171-G173 PolarHBondContact O-N 2.83Å; G173-C191 CarbonylContact C-O 3.58Å; G173-C191 VanDerWaalsContact C-O 3.24Å; G173-C191 VanDerWaalsContact CA-O 3.32Å; G173-C191 WeakPolarHBondContact CA-O 3.43Å; G173-C191 PolarHBondContact O-N 2.86Å
174	R	98.4	Very high	98	Very high	80 Å²	80	25.6 Å²	25.6	30%	0.302	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.3	174.3	-59.8	-170.6	69.2	82.5	-0.2	110.6	P170 V171 N172 Y176 D187 G189	P170-R174 CarbonylContact C-O 3.24Å; P170-R174 WeakPolarHBondContact CA-O 3.35Å; V171-R174 PolarHBondContact N-O 3.32Å; V171-R174 PolarHBondContact O-N 3.23Å; V171-R174 VanDerWaalsContact O-N 3.15Å; N172-R174 VanDerWaalsContact C-N 3.3Å; N172-R174 PolarHBondContact O-N 2.69Å; R174-Y176 HydrophobicContact CB-CE2 3.67Å; R174-Y176 WeakPolarHBondContact CB-OH 3.23Å; R174-Y176 WeakPolarHBondContact O-CD2 3.34Å; R174-Y176 WeakPolarHBondContact O-CE2 3.4Å; R174-D187 IonicContact CZ-OD1 3.69Å; R174-D187 IonicContact CZ-OD2 2.62Å; R174-D187 IonicContact NE-OD1 2.74Å; R174-D187 PolarHBondContact NE-OD1 3.29Å; R174-D187 IonicContact NE-OD2 3.31Å; R174-D187 PolarHBondContact NE-OD2 3.17Å; R174-D187 IonicContact NH2-OD1 3.63Å; R174-D187 PolarHBondContact NH2-OD1 2.75Å; R174-D187 IonicContact NH2-OD2 2.89Å; R174-D187 PolarHBondContact NH2-OD2 3.28Å; R174-G189 CarbonylContact C-O 3.6Å; R174-G189 VanDerWaalsContact CA-O 3.32Å; R174-G189 WeakPolarHBondContact CA-O 3.21Å
175	L	98.8	Very high	98.1	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.3	-179	-178.3	63.5	0	0	0	110.4	L188 G189 C191 W196 A199 V200	L175-L188 HydrophobicContact CB-CB 4.11Å; L175-L188 HydrophobicContact CD2-CB 4.07Å; L175-L188 HydrophobicContact CD2-CD1 3.98Å; L175-L188 HydrophobicContact CG-CB 4.01Å; L175-L188 HydrophobicContact CG-CD1 3.89Å; L175-L188 WeakPolarHBondContact O-CB 3.41Å; L175-L188 PolarHBondContact O-N 3.12Å; L175-G189 PolarHBondContact N-O 2.78Å; L175-C191 HydrophobicContact CB-CB 4.23Å; L175-W196 HydrophobicContact CD1-CE3 3.6Å; L175-W196 HydrophobicContact CD1-CZ3 3.8Å; L175-A199 HydrophobicContact CD2-CB 4.23Å; L175-V200 HydrophobicContact CD1-CB 4.41Å; L175-V200 HydrophobicContact CD1-CG2 4.49Å; L175-V200 HydrophobicContact CD2-CB 3.72Å; L175-V200 HydrophobicContact CD2-CG2 4.03Å
176	Y	98.9	Very high	98.1	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.02	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.8	178.5	-58.1	-87	0	0	0	112.2	V69 I77 Y168 V169 V171 R174 P185 I186 D187	V69-Y176 HydrophobicContact CG2-CD1 4.06Å; V69-Y176 HydrophobicContact CG2-CE1 3.77Å; I77-Y176 HydrophobicContact CD1-CD1 3.91Å; I77-Y176 HydrophobicContact CD1-CD2 4.22Å; I77-Y176 HydrophobicContact CD1-CE1 3.5Å; I77-Y176 VanDerWaalsContact CD1-CE1 3.5Å; I77-Y176 HydrophobicContact CD1-CE2 3.85Å; I77-Y176 HydrophobicContact CD1-CG 4.25Å; I77-Y176 VanDerWaalsContact CD1-CZ 3.45Å; Y168-Y176 VanDerWaalsContact CA-O 3.3Å; Y168-Y176 WeakPolarHBondContact CA-O 3.16Å; V169-Y176 PolarHBondContact N-O 3.13Å; V169-Y176 PolarHBondContact O-N 2.88Å; V171-Y176 HydrophobicContact CB-CD2 3.96Å; V171-Y176 HydrophobicContact CB-CE2 3.75Å; V171-Y176 HydrophobicContact CG2-CD2 4.12Å; V171-Y176 HydrophobicContact CG2-CE2 4.41Å; R174-Y176 HydrophobicContact CB-CE2 3.67Å; R174-Y176 WeakPolarHBondContact CB-OH 3.23Å; R174-Y176 WeakPolarHBondContact O-CD2 3.34Å; R174-Y176 WeakPolarHBondContact O-CE2 3.4Å; Y176-P185 HydrophobicContact CD1-CB 4.2Å; Y176-I186 CarbonylContact C-O 3.58Å; Y176-I186 WeakPolarHBondContact CA-O 3.47Å; Y176-D187 HydrophobicContact CD1-CB 4.28Å; Y176-D187 HydrophobicContact CE1-CB 4.07Å
177	E	98.8	Very high	98.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.7	158.6	171.2	-176.1	169.2	0	0	108	A65 S167 Y168 D179 I186 L188 R207	A65-E177 WeakPolarHBondContact CB-OE2 3.14Å; S167-E177 CarbonylContact O-C 3.6Å; S167-E177 WeakPolarHBondContact O-CA 3.37Å; Y168-E177 HydrophobicContact CD1-CB 3.91Å; Y168-E177 HydrophobicContact CD1-CG 4.5Å; Y168-E177 HydrophobicContact CE1-CB 3.72Å; Y168-E177 HydrophobicContact CE1-CG 4.01Å; E177-D179 HydrophobicContact CG-CB 4.5Å; E177-I186 HydrophobicContact CB-CB 4.06Å; E177-I186 HydrophobicContact CB-CD1 4.44Å; E177-I186 HydrophobicContact CG-CD1 4.15Å; E177-I186 PolarHBondContact N-O 2.88Å; E177-I186 PolarHBondContact O-N 3.21Å; E177-L188 HydrophobicContact CB-CD1 3.94Å; E177-L188 HydrophobicContact CB-CG 4.44Å; E177-R207 IonicContact OE1-NH1 3.82Å; E177-R207 PolarHBondContact OE1-NH1 3.44Å; E177-R207 IonicContact OE2-NH1 3.39Å
178	L	98.7	Very high	98.1	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	96.7	176.4	-55.5	-173.6	0	0	0	108.4	I77 F79 S95 N99 S167 V169 P185	I77-L178 HydrophobicContact CG2-CD2 4.14Å; F79-L178 HydrophobicContact CD2-CB 4.46Å; F79-L178 HydrophobicContact CD2-CD2 4.1Å; S95-L178 WeakPolarHBondContact O-CD1 2.94Å; N99-L178 WeakPolarHBondContact ND2-CD1 3.49Å; S167-L178 PolarHBondContact N-O 3.24Å; S167-L178 PolarHBondContact O-N 3.07Å; V169-L178 HydrophobicContact CG1-CD1 3.43Å; V169-L178 VanDerWaalsContact CG1-CD1 3.43Å; V169-L178 HydrophobicContact CG1-CG 3.86Å; L178-P185 HydrophobicContact CD2-CB 3.55Å; L178-P185 HydrophobicContact CD2-CG 3.94Å
179	D	98.3	Very high	98	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	15%	0.151	C	C	.	.			trans	-113.9	117.7	176.7	173.5	1.9	0	0	0	108.9	F79 H164 V166 E177 L181 R182	F79-D179 WeakPolarHBondContact CE2-O 3.37Å; F79-D179 WeakPolarHBondContact CZ-O 3.33Å; H164-D179 IonicContact CD2-OD1 3.74Å; H164-D179 IonicContact CE1-OD1 4Å; H164-D179 IonicContact NE2-OD1 3.63Å; H164-D179 PolarHBondContact NE2-OD1 2.93Å; H164-D179 IonicContact NE2-OD2 3.7Å; V166-D179 HydrophobicContact CB-CB 4.21Å; V166-D179 HydrophobicContact CG1-CB 3.62Å; E177-D179 HydrophobicContact CG-CB 4.5Å; D179-L181 PolarHBondContact O-N 3.42Å; D179-L181 VanDerWaalsContact O-N 3.12Å; D179-L181 WeakPolarHBondContact OD1-CB 3.47Å; D179-L181 PolarHBondContact OD1-N 3.42Å; D179-R182 HydrophobicContact CB-CB 4.37Å; D179-R182 HydrophobicContact CB-CG 3.63Å; D179-R182 WeakPolarHBondContact O-CB 3.49Å; D179-R182 PolarHBondContact O-N 3.32Å; D179-R182 IonicContact OD2-NE 3.43Å
180	G	97.3	Very high	98	Very high	5 Å²	5	32 Å²	32	5%	0.052	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.9	-179.2	0	0	0	0	0	114.4	K81 Q82 R182	K81-G180 CarbonylContact C-O 3.54Å; K81-G180 WeakPolarHBondContact CA-O 3.3Å; Q82-G180 PolarHBondContact N-O 3.42Å; G180-R182 VanDerWaalsContact C-N 3.32Å
181	L	96.6	Very high	98	Very high	83 Å²	83	32.6 Å²	32.6	44%	0.435	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.3	174.6	-59.6	-179.6	0	0	0	112.9	Q82 H164 D179	Q82-L181 HydrophobicContact CB-CD2 4.14Å; Q82-L181 HydrophobicContact CG-CD2 4.34Å; H164-L181 VanDerWaalsContact CE1-CD1 3.47Å; H164-L181 WeakPolarHBondContact CE1-CD1 3.33Å; D179-L181 PolarHBondContact O-N 3.42Å; D179-L181 VanDerWaalsContact O-N 3.12Å; D179-L181 WeakPolarHBondContact OD1-CB 3.47Å; D179-L181 PolarHBondContact OD1-N 3.42Å
182	R	97.3	Very high	97.9	Very high	45 Å²	45	36.6 Å²	36.6	17%	0.17	21%	0.207	C	C	.	.	S	Bend	trans	-83.4	164.8	177.6	-61.7	-69	-173	176.9	2.3	111.3	E62 E63 K81 D179 G180 G184 I186	E62-R182 VanDerWaalsContact O-CZ 3.28Å; E62-R182 PolarHBondContact O-NH1 3.33Å; E62-R182 PolarHBondContact O-NH2 3.33Å; E63-R182 PolarHBondContact O-NH2 2.82Å; K81-R182 VanDerWaalsContact CE-O 3.32Å; K81-R182 WeakPolarHBondContact CE-O 3.31Å; D179-R182 HydrophobicContact CB-CB 4.37Å; D179-R182 HydrophobicContact CB-CG 3.63Å; D179-R182 WeakPolarHBondContact O-CB 3.49Å; D179-R182 PolarHBondContact O-N 3.32Å; D179-R182 IonicContact OD2-NE 3.43Å; G180-R182 VanDerWaalsContact C-N 3.32Å; R182-G184 VanDerWaalsContact C-N 3.29Å; R182-G184 PolarHBondContact O-N 3.47Å; R182-I186 HydrophobicContact CG-CD1 3.81Å; R182-I186 HydrophobicContact CG-CG1 4.47Å
183	E	96.5	Very high	97.6	Very high	117 Å²	117	34 Å²	34	55%	0.547	19%	0.19	S	C	.	.	S	Bend	trans	-71.7	-26.2	179.1	70.6	-178.7	171.8	0	0	113.3	V68 K81	V68-E183 HydrophobicContact CB-CG 4.32Å; V68-E183 HydrophobicContact CG1-CG 3.47Å; V68-E183 VanDerWaalsContact CG1-CG 3.47Å; V68-E183 WeakPolarHBondContact CG1-OE1 3.29Å; V68-E183 HydrophobicContact CG2-CG 4.12Å; V68-E183 WeakPolarHBondContact CG2-OE1 3.49Å; K81-E183 VanDerWaalsContact CE-O 3.23Å; K81-E183 WeakPolarHBondContact CE-O 3.46Å
184	G	98.1	Very high	97.3	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.031	21%	0.213	C	C	.	.	S	Bend	trans	-166.2	178.9	-177.6	0	0	0	0	0	111.3	R182	R182-G184 VanDerWaalsContact C-N 3.29Å; R182-G184 PolarHBondContact O-N 3.47Å
185	P	98.7	Very high	97.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-53.2	141.4	168.3	-24	35.1	0	0	0	111.4	V68 V69 L74 I77 F79 Y176 L178	V68-P185 CarbonylContact C-O 3.5Å; V68-P185 WeakPolarHBondContact CA-O 3.31Å; V69-P185 HydrophobicContact CB-CB 4.14Å; V69-P185 HydrophobicContact CB-CG 4.47Å; V69-P185 HydrophobicContact CG2-CB 3.9Å; V69-P185 WeakPolarHBondContact CG2-O 3.36Å; V69-P185 PolarHBondContact N-O 3.32Å; L74-P185 VanDerWaalsContact CD2-CD 3.42Å; L74-P185 HydrophobicContact CD2-CG 3.96Å; I77-P185 HydrophobicContact CB-CG 4.47Å; I77-P185 HydrophobicContact CG2-CB 4.39Å; I77-P185 HydrophobicContact CG2-CG 3.84Å; F79-P185 HydrophobicContact CB-CG 3.72Å; F79-P185 HydrophobicContact CD2-CG 4.01Å; F79-P185 HydrophobicContact CG-CG 3.84Å; Y176-P185 HydrophobicContact CD1-CB 4.2Å; L178-P185 HydrophobicContact CD2-CB 3.55Å; L178-P185 HydrophobicContact CD2-CG 3.94Å
186	I	98.7	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.6	171.8	-61.1	167.4	0	0	0	107.8	P64 G66 S67 Y176 E177 R182 L188	P64-I186 HydrophobicContact CB-CD1 3.65Å; P64-I186 HydrophobicContact CB-CG1 4.05Å; P64-I186 HydrophobicContact CB-CG2 4.39Å; G66-I186 VanDerWaalsContact N-CG2 3.32Å; S67-I186 CarbonylContact O-C 3.52Å; Y176-I186 CarbonylContact C-O 3.58Å; Y176-I186 WeakPolarHBondContact CA-O 3.47Å; E177-I186 HydrophobicContact CB-CB 4.06Å; E177-I186 HydrophobicContact CB-CD1 4.44Å; E177-I186 HydrophobicContact CG-CD1 4.15Å; E177-I186 PolarHBondContact N-O 2.88Å; E177-I186 PolarHBondContact O-N 3.21Å; R182-I186 HydrophobicContact CG-CD1 3.81Å; R182-I186 HydrophobicContact CG-CG1 4.47Å; I186-L188 HydrophobicContact CG2-CD2 4.06Å
187	D	98.7	Very high	96.9	Very high	15 Å²	15	38.9 Å²	38.9	8%	0.08	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	121.5	174.1	-176.4	-5	0	0	0	110.6	G66 S67 V69 R73 R174 Y176 G189	G66-D187 WeakPolarHBondContact CA-O 3.18Å; S67-D187 PolarHBondContact N-O 2.64Å; S67-D187 WeakPolarHBondContact O-CB 3.13Å; S67-D187 PolarHBondContact O-N 3.01Å; V69-D187 HydrophobicContact CG2-CB 3.92Å; R73-D187 IonicContact CZ-OD2 3.48Å; R73-D187 IonicContact NH1-OD2 3.65Å; R73-D187 PolarHBondContact NH1-OD2 2.9Å; R73-D187 IonicContact NH2-OD2 2.75Å; R174-D187 IonicContact CZ-OD1 3.69Å; R174-D187 IonicContact CZ-OD2 2.62Å; R174-D187 IonicContact NE-OD1 2.74Å; R174-D187 PolarHBondContact NE-OD1 3.29Å; R174-D187 IonicContact NE-OD2 3.31Å; R174-D187 PolarHBondContact NE-OD2 3.17Å; R174-D187 IonicContact NH2-OD1 3.63Å; R174-D187 PolarHBondContact NH2-OD1 2.75Å; R174-D187 IonicContact NH2-OD2 2.89Å; R174-D187 PolarHBondContact NH2-OD2 3.28Å; Y176-D187 HydrophobicContact CD1-CB 4.28Å; Y176-D187 HydrophobicContact CE1-CB 4.07Å; D187-G189 PolarHBondContact OD1-N 3.32Å
188	L	98.5	Very high	96.8	Very high	36 Å²	36	42.3 Å²	42.3	19%	0.188	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	4.7	-178.3	-61	173.3	0	0	0	112.8	A65 Y168 L175 E177 I186 V203	A65-L188 HydrophobicContact CB-CD2 3.83Å; Y168-L188 HydrophobicContact CD1-CD1 3.66Å; Y168-L188 HydrophobicContact CE1-CD1 3.84Å; L175-L188 HydrophobicContact CB-CB 4.11Å; L175-L188 HydrophobicContact CD2-CB 4.07Å; L175-L188 HydrophobicContact CD2-CD1 3.98Å; L175-L188 HydrophobicContact CG-CB 4.01Å; L175-L188 HydrophobicContact CG-CD1 3.89Å; L175-L188 WeakPolarHBondContact O-CB 3.41Å; L175-L188 PolarHBondContact O-N 3.12Å; E177-L188 HydrophobicContact CB-CD1 3.94Å; E177-L188 HydrophobicContact CB-CG 4.44Å; I186-L188 HydrophobicContact CG2-CD2 4.06Å; L188-V203 HydrophobicContact CD1-CG1 3.96Å; L188-V203 HydrophobicContact CD1-CG2 4.24Å; L188-V203 HydrophobicContact CD2-CG1 4.07Å; L188-V203 HydrophobicContact CD2-CG2 4.4Å
189	G	97.9	Very high	96.7	Very high	22 Å²	22	43.8 Å²	43.8	23%	0.227	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.5	-172.8	177.8	0	0	0	0	0	114	R174 L175 D187	R174-G189 CarbonylContact C-O 3.6Å; R174-G189 VanDerWaalsContact CA-O 3.32Å; R174-G189 WeakPolarHBondContact CA-O 3.21Å; L175-G189 PolarHBondContact N-O 2.78Å; D187-G189 PolarHBondContact OD1-N 3.32Å
190	A	98	Very high	96.7	Very high	78 Å²	78	43.6 Å²	43.6	65%	0.645	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	145.9	179.8	0	0	0	0	0	111.3
191	C	97.7	Very high	96.7	Very high	18 Å²	18	46 Å²	46	12%	0.122	26%	0.259	C	S	.	.			trans	-144.6	155.2	172.4	65.9	0	0	0	0	110.5	G173 L175 Q193 W196 A199	G173-C191 CarbonylContact C-O 3.58Å; G173-C191 VanDerWaalsContact C-O 3.24Å; G173-C191 VanDerWaalsContact CA-O 3.32Å; G173-C191 WeakPolarHBondContact CA-O 3.43Å; G173-C191 PolarHBondContact O-N 2.86Å; L175-C191 HydrophobicContact CB-CB 4.23Å; C191-Q193 PolarHBondContact O-N 2.93Å; C191-W196 HydrophobicContact CB-CB 3.88Å; C191-A199 HydrophobicContact CB-CB 3.77Å
192	N	96.2	Very high	96.7	Very high	95 Å²	95	45.5 Å²	45.5	51%	0.508	26%	0.261	S	S	.	.			trans	-74.1	123	166.7	-176.7	-11.1	0	0	0	108.5	D194 D195 W196	N192-D194 PolarHBondContact O-N 2.79Å; N192-D194 PolarHBondContact OD1-N 3.12Å; N192-D195 HydrophobicContact CB-CB 4.42Å; N192-D195 CarbonylContact O-C 3.55Å; N192-D195 VanDerWaalsContact O-C 3.23Å; N192-D195 PolarHBondContact O-N 2.65Å; N192-W196 VanDerWaalsContact O-CA 3.26Å; N192-W196 WeakPolarHBondContact O-CA 3.41Å; N192-W196 VanDerWaalsContact O-CB 3.24Å; N192-W196 WeakPolarHBondContact O-CB 3.26Å; N192-W196 PolarHBondContact O-N 3.11Å
193	Q	91.4	Very high	96.8	Very high	78 Å²	78	44.4 Å²	44.4	36%	0.364	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.9	-179.9	-165.2	71.9	31.1	0	0	112.3	P170 C191	P170-Q193 PolarHBondContact O-NE2 2.65Å; C191-Q193 PolarHBondContact O-N 2.93Å
194	D	90.4	Very high	96.8	Very high	139 Å²	139	38.9 Å²	38.9	74%	0.743	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-18.2	-179.5	-58.9	-32.1	0	0	0	112.9	N192	N192-D194 PolarHBondContact O-N 2.79Å; N192-D194 PolarHBondContact OD1-N 3.12Å
195	D	92.8	Very high	96.8	Very high	63 Å²	63	42.4 Å²	42.4	34%	0.337	25%	0.249	S	C	.	.	S	Bend	trans	-145.7	53.2	-176.8	-168.5	21.7	0	0	0	113	K47 N192 I197 S198	K47-D195 VanDerWaalsContact CE-OD1 3.25Å; K47-D195 WeakPolarHBondContact CE-OD1 3.46Å; K47-D195 VanDerWaalsContact NZ-CG 3.3Å; K47-D195 IonicContact NZ-OD1 3.36Å; K47-D195 PolarHBondContact NZ-OD1 2.87Å; K47-D195 IonicContact NZ-OD2 3.21Å; N192-D195 HydrophobicContact CB-CB 4.42Å; N192-D195 CarbonylContact O-C 3.55Å; N192-D195 VanDerWaalsContact O-C 3.23Å; N192-D195 PolarHBondContact O-N 2.65Å; D195-I197 VanDerWaalsContact C-N 3.32Å; D195-S198 PolarHBondContact O-OG 3Å
196	W	97.6	Very high	96.6	Very high	6 Å²	6	48.7 Å²	48.7	2%	0.023	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-10.6	-174.6	62.7	-84.4	0	0	0	113.5	V49 L52 Y168 P170 L175 C191 N192 S198 A199 V200	V49-W196 HydrophobicContact CB-CZ2 4.22Å; V49-W196 HydrophobicContact CG1-CZ2 3.86Å; V49-W196 PolarHBondContact O-NE1 3.09Å; L52-W196 HydrophobicContact CB-CH2 4.33Å; L52-W196 HydrophobicContact CD1-CH2 4.24Å; L52-W196 HydrophobicContact CD1-CZ3 4.28Å; L52-W196 HydrophobicContact CG-CH2 3.71Å; L52-W196 HydrophobicContact CG-CZ3 4.24Å; Y168-W196 WeakPolarHBondContact O-CH2 3.3Å; P170-W196 HydrophobicContact CB-CB 3.99Å; P170-W196 HydrophobicContact CB-CD2 4.16Å; P170-W196 HydrophobicContact CB-CG 3.81Å; P170-W196 HydrophobicContact CG-CB 4.39Å; P170-W196 HydrophobicContact CG-CD2 3.79Å; P170-W196 HydrophobicContact CG-CG 3.68Å; P170-W196 HydrophobicContact CG-CZ2 4.28Å; L175-W196 HydrophobicContact CD1-CE3 3.6Å; L175-W196 HydrophobicContact CD1-CZ3 3.8Å; C191-W196 HydrophobicContact CB-CB 3.88Å; N192-W196 VanDerWaalsContact O-CA 3.26Å; N192-W196 WeakPolarHBondContact O-CA 3.41Å; N192-W196 VanDerWaalsContact O-CB 3.24Å; N192-W196 WeakPolarHBondContact O-CB 3.26Å; N192-W196 PolarHBondContact O-N 3.11Å; W196-S198 PolarHBondContact O-N 3.39Å; W196-A199 WeakPolarHBondContact O-CA 3.29Å; W196-A199 WeakPolarHBondContact O-CB 3.4Å; W196-A199 PolarHBondContact O-N 2.99Å; W196-V200 HydrophobicContact CE3-CB 4.06Å; W196-V200 HydrophobicContact CE3-CG1 4.04Å; W196-V200 HydrophobicContact CZ3-CB 3.94Å; W196-V200 HydrophobicContact CZ3-CG1 3.84Å; W196-V200 HydrophobicContact CZ3-CG2 4.2Å; W196-V200 PolarHBondContact O-N 2.96Å
197	I	97.4	Very high	96.5	Very high	8 Å²	8	49 Å²	49	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-37.6	180	-62.1	-58.6	0	0	0	111.2	F43 V49 L52 D195 A199 V200 R201	F43-I197 HydrophobicContact CB-CB 4.36Å; F43-I197 HydrophobicContact CB-CG1 4.16Å; F43-I197 HydrophobicContact CB-CG2 3.59Å; F43-I197 HydrophobicContact CD1-CD1 3.96Å; F43-I197 HydrophobicContact CD1-CG1 4.3Å; F43-I197 HydrophobicContact CD1-CG2 3.68Å; F43-I197 HydrophobicContact CD2-CG2 3.58Å; F43-I197 HydrophobicContact CE1-CD1 4.47Å; F43-I197 HydrophobicContact CE1-CG2 4.17Å; F43-I197 HydrophobicContact CE2-CG2 4.07Å; F43-I197 HydrophobicContact CG-CB 4.47Å; F43-I197 HydrophobicContact CG-CG1 4.42Å; F43-I197 HydrophobicContact CG-CG2 3.35Å; F43-I197 HydrophobicContact CZ-CG2 4.34Å; V49-I197 HydrophobicContact CB-CD1 4.09Å; V49-I197 HydrophobicContact CG1-CD1 4.08Å; V49-I197 HydrophobicContact CG2-CD1 4.25Å; V49-I197 HydrophobicContact CG2-CG1 4.44Å; L52-I197 HydrophobicContact CD1-CD1 4.32Å; D195-I197 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 3.41Å; I197-V200 HydrophobicContact CD1-CG1 4.37Å; I197-V200 WeakPolarHBondContact O-CG1 3.33Å; I197-V200 PolarHBondContact O-N 3.32Å; I197-R201 HydrophobicContact CG2-CG 4.13Å; I197-R201 WeakPolarHBondContact O-CG 3.43Å; I197-R201 PolarHBondContact O-N 2.92Å; I197-R201 VanDerWaalsContact O-N 3.13Å
198	S	95.9	Very high	96.4	Very high	73 Å²	73	51 Å²	51	51%	0.51	29%	0.287	S	S	.	.	H	α-helix	trans	-57.3	-29.3	174.1	61.2	0	0	0	0	112.8	D195 W196 P202	D195-S198 PolarHBondContact O-OG 3Å; W196-S198 PolarHBondContact O-N 3.39Å; S198-P202 WeakPolarHBondContact O-CD 3.33Å
199	A	97.4	Very high	96.2	Very high	32 Å²	32	56.4 Å²	56.4	26%	0.264	31%	0.312	S	S	.	.	H	α-helix	trans	-84.6	-32	178.3	0	0	0	0	0	113.5	L175 C191 W196 I197	L175-A199 HydrophobicContact CD2-CB 4.23Å; C191-A199 HydrophobicContact CB-CB 3.77Å; W196-A199 WeakPolarHBondContact O-CA 3.29Å; W196-A199 WeakPolarHBondContact O-CB 3.4Å; W196-A199 PolarHBondContact O-N 2.99Å; I197-A199 PolarHBondContact O-N 3.41Å
200	V	98	Very high	96	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-83.2	-30.1	-177.8	76.5	0	0	0	0	113.4	L52 Y168 L175 W196 I197 V203 I204	L52-V200 HydrophobicContact CD1-CG1 3.55Å; L52-V200 HydrophobicContact CD1-CG2 4.27Å; Y168-V200 HydrophobicContact CD1-CG2 3.91Å; Y168-V200 HydrophobicContact CD2-CG2 3.95Å; Y168-V200 HydrophobicContact CG-CG2 3.55Å; L175-V200 HydrophobicContact CD1-CB 4.41Å; L175-V200 HydrophobicContact CD1-CG2 4.49Å; L175-V200 HydrophobicContact CD2-CB 3.72Å; L175-V200 HydrophobicContact CD2-CG2 4.03Å; W196-V200 HydrophobicContact CE3-CB 4.06Å; W196-V200 HydrophobicContact CE3-CG1 4.04Å; W196-V200 HydrophobicContact CZ3-CB 3.94Å; W196-V200 HydrophobicContact CZ3-CG1 3.84Å; W196-V200 HydrophobicContact CZ3-CG2 4.2Å; W196-V200 PolarHBondContact O-N 2.96Å; I197-V200 HydrophobicContact CD1-CG1 4.37Å; I197-V200 WeakPolarHBondContact O-CG1 3.33Å; I197-V200 PolarHBondContact O-N 3.32Å; V200-V203 WeakPolarHBondContact O-CA 3.4Å; V200-V203 WeakPolarHBondContact O-CB 3.47Å; V200-V203 PolarHBondContact O-N 2.67Å; V200-I204 HydrophobicContact CG1-CD1 4.46Å; V200-I204 HydrophobicContact CG2-CD1 3.99Å; V200-I204 HydrophobicContact CG2-CG1 4.17Å; V200-I204 PolarHBondContact O-N 3.13Å
201	R	97.6	Very high	95.8	Very high	55 Å²	55	56.4 Å²	56.4	21%	0.208	29%	0.291	C	S	.	.	H	α-helix	trans	-52.9	-49.5	-179.3	-73.6	170.7	65.6	-141.1	1	113	L38 F43 I197 V203 I204 E205	L38-R201 VanDerWaalsContact O-CZ 3.28Å; L38-R201 PolarHBondContact O-NE 3.37Å; L38-R201 PolarHBondContact O-NH2 2.96Å; F43-R201 HydrophobicContact CE2-CG 4.09Å; F43-R201 HydrophobicContact CZ-CG 4.48Å; I197-R201 HydrophobicContact CG2-CG 4.13Å; I197-R201 WeakPolarHBondContact O-CG 3.43Å; I197-R201 PolarHBondContact O-N 2.92Å; I197-R201 VanDerWaalsContact O-N 3.13Å; R201-V203 PolarHBondContact O-N 3.01Å; R201-I204 PolarHBondContact O-N 3.13Å; R201-E205 WeakPolarHBondContact O-CG 3.38Å; R201-E205 PolarHBondContact O-N 2.71Å
202	P	96.9	Very high	95.6	Very high	72 Å²	72	59.7 Å²	59.7	47%	0.468	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-30.7	177.3	-23.2	34.6	0	0	0	113.6	S198 K206	S198-P202 WeakPolarHBondContact O-CD 3.33Å; P202-K206 WeakPolarHBondContact O-CB 3.29Å; P202-K206 PolarHBondContact O-N 2.74Å
203	V	97.6	Very high	95.3	Very high	23 Å²	23	65.2 Å²	65.2	14%	0.139	34%	0.337	C	S	.	.	H	α-helix	trans	-68.7	-46.3	178.1	-179.3	0	0	0	0	110.3	A65 Y168 L188 V200 R201 K206 R207	A65-V203 HydrophobicContact CB-CG1 4.34Å; Y168-V203 HydrophobicContact CE1-CG1 3.78Å; L188-V203 HydrophobicContact CD1-CG1 3.96Å; L188-V203 HydrophobicContact CD1-CG2 4.24Å; L188-V203 HydrophobicContact CD2-CG1 4.07Å; L188-V203 HydrophobicContact CD2-CG2 4.4Å; V200-V203 WeakPolarHBondContact O-CA 3.4Å; V200-V203 WeakPolarHBondContact O-CB 3.47Å; V200-V203 PolarHBondContact O-N 2.67Å; R201-V203 PolarHBondContact O-N 3.01Å; V203-K206 PolarHBondContact O-N 2.62Å; V203-R207 WeakPolarHBondContact O-CB 3.28Å; V203-R207 PolarHBondContact O-N 3.39Å
204	I	97.7	Very high	95.4	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-45.1	179.1	-62.2	172.7	0	0	0	110.6	L38 L52 F54 Y168 V200 R201 K206 R207 I208 L220	L38-I204 HydrophobicContact CD1-CB 4.37Å; L38-I204 HydrophobicContact CD1-CG2 3.88Å; L38-I204 HydrophobicContact CD2-CD1 4.49Å; L38-I204 HydrophobicContact CD2-CG2 4.08Å; L52-I204 HydrophobicContact CD1-CD1 3.9Å; F54-I204 HydrophobicContact CD2-CG2 4.28Å; F54-I204 HydrophobicContact CE1-CG2 4.5Å; F54-I204 HydrophobicContact CE2-CG2 3.93Å; F54-I204 HydrophobicContact CZ-CG2 4.05Å; Y168-I204 HydrophobicContact CD2-CD1 4.16Å; Y168-I204 HydrophobicContact CD2-CG1 4.18Å; Y168-I204 HydrophobicContact CE2-CD1 4.1Å; Y168-I204 HydrophobicContact CE2-CG1 3.68Å; V200-I204 HydrophobicContact CG1-CD1 4.46Å; V200-I204 HydrophobicContact CG2-CD1 3.99Å; V200-I204 HydrophobicContact CG2-CG1 4.17Å; V200-I204 PolarHBondContact O-N 3.13Å; R201-I204 PolarHBondContact O-N 3.13Å; I204-K206 VanDerWaalsContact C-N 3.33Å; I204-K206 PolarHBondContact O-N 2.79Å; I204-R207 WeakPolarHBondContact O-CB 3.35Å; I204-R207 PolarHBondContact O-N 3.29Å; I204-R207 VanDerWaalsContact O-N 3.13Å; I204-I208 HydrophobicContact CG2-CD1 4.04Å; I204-I208 WeakPolarHBondContact O-CG1 3.4Å; I204-I208 PolarHBondContact O-N 2.83Å; I204-L220 HydrophobicContact CD1-CD1 3.88Å; I204-L220 HydrophobicContact CD1-CD2 3.81Å
205	E	96.8	Very high	95.7	Very high	77 Å²	77	59 Å²	59	36%	0.36	32%	0.32	S	S	.	.	H	α-helix	trans	-57.5	-46.4	175.6	-71.4	171.3	170.2	0	0	111.3	L38 R201 R207 I208 Q209	L38-E205 HydrophobicContact CD1-CG 3.63Å; R201-E205 WeakPolarHBondContact O-CG 3.38Å; R201-E205 PolarHBondContact O-N 2.71Å; E205-R207 VanDerWaalsContact C-N 3.32Å; E205-R207 PolarHBondContact O-N 2.86Å; E205-I208 PolarHBondContact O-N 2.87Å; E205-Q209 VanDerWaalsContact O-CG 3.31Å; E205-Q209 WeakPolarHBondContact O-CG 3.4Å; E205-Q209 PolarHBondContact O-N 3.23Å
206	K	96.2	Very high	95.8	Very high	131 Å²	131	62.8 Å²	62.8	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-64.1	-34.9	176.6	-173.4	179.8	179.8	-174.9	0	112.5	P202 V203 I204 Q209	P202-K206 WeakPolarHBondContact O-CB 3.29Å; P202-K206 PolarHBondContact O-N 2.74Å; V203-K206 PolarHBondContact O-N 2.62Å; I204-K206 VanDerWaalsContact C-N 3.33Å; I204-K206 PolarHBondContact O-N 2.79Å; K206-Q209 PolarHBondContact O-N 3.33Å
207	R	95.9	Very high	95.7	Very high	7 Å²	7	67.3 Å²	67.3	3%	0.026	36%	0.356	C	S	.	.	H	α-helix	trans	-65	-45.1	174.8	-172.9	65	169.7	-122.2	15.5	110.6	F54 E62 E177 V203 I204 E205 Q209 K210 Y211	F54-R207 HydrophobicContact CE1-CB 4.33Å; F54-R207 HydrophobicContact CE1-CG 3.78Å; E62-R207 VanDerWaalsContact CD-NE 3.34Å; E62-R207 WeakPolarHBondContact OE1-CD 3.31Å; E62-R207 IonicContact OE1-CZ 3.57Å; E62-R207 IonicContact OE1-NE 2.73Å; E62-R207 PolarHBondContact OE1-NE 2.88Å; E62-R207 IonicContact OE1-NH1 3.71Å; E62-R207 IonicContact OE1-NH2 3.64Å; E62-R207 PolarHBondContact OE1-NH2 3.07Å; E62-R207 IonicContact OE2-CZ 2.74Å; E62-R207 IonicContact OE2-NE 2.71Å; E62-R207 PolarHBondContact OE2-NE 3.45Å; E62-R207 IonicContact OE2-NH2 3.69Å; E62-R207 PolarHBondContact OE2-NH2 3.28Å; E177-R207 IonicContact OE1-NH1 3.82Å; E177-R207 PolarHBondContact OE1-NH1 3.44Å; E177-R207 IonicContact OE2-NH1 3.39Å; V203-R207 WeakPolarHBondContact O-CB 3.28Å; V203-R207 PolarHBondContact O-N 3.39Å; I204-R207 WeakPolarHBondContact O-CB 3.35Å; I204-R207 PolarHBondContact O-N 3.29Å; I204-R207 VanDerWaalsContact O-N 3.13Å; E205-R207 VanDerWaalsContact C-N 3.32Å; E205-R207 PolarHBondContact O-N 2.86Å; R207-Q209 VanDerWaalsContact C-N 3.31Å; R207-Q209 PolarHBondContact O-N 3.33Å; R207-K210 WeakPolarHBondContact O-CB 3.08Å; R207-K210 PolarHBondContact O-N 2.83Å; R207-K210 VanDerWaalsContact O-N 3.16Å; R207-Y211 VanDerWaalsContact O-CD2 3.29Å; R207-Y211 WeakPolarHBondContact O-CD2 3.48Å; R207-Y211 WeakPolarHBondContact O-CE2 3.3Å
208	I	95.8	Very high	95.7	Very high	56 Å²	56	69 Å²	69	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-39	176.3	-67.2	168.1	0	0	0	111	L38 F54 I204 E205 K210 Y211 F218	L38-I208 HydrophobicContact CD1-CD1 4.21Å; F54-I208 HydrophobicContact CZ-CD1 4.44Å; F54-I208 HydrophobicContact CZ-CG1 4.02Å; I204-I208 HydrophobicContact CG2-CD1 4.04Å; I204-I208 WeakPolarHBondContact O-CG1 3.4Å; I204-I208 PolarHBondContact O-N 2.83Å; E205-I208 PolarHBondContact O-N 2.87Å; I208-K210 PolarHBondContact O-N 3.11Å; I208-K210 VanDerWaalsContact O-N 3.09Å; I208-Y211 WeakPolarHBondContact O-CB 3.32Å; I208-Y211 WeakPolarHBondContact O-CD2 3.48Å; I208-Y211 PolarHBondContact O-N 3.05Å; I208-F218 HydrophobicContact CB-CZ 4.42Å; I208-F218 HydrophobicContact CG1-CD1 4.31Å; I208-F218 HydrophobicContact CG1-CD2 4.3Å; I208-F218 HydrophobicContact CG1-CE1 4.24Å; I208-F218 HydrophobicContact CG1-CE2 4.23Å; I208-F218 HydrophobicContact CG1-CG 4.34Å; I208-F218 HydrophobicContact CG1-CZ 4.2Å; I208-F218 HydrophobicContact CG2-CE2 3.94Å; I208-F218 HydrophobicContact CG2-CZ 4.21Å
209	Q	94.3	Very high	95.8	Very high	150 Å²	150	66.9 Å²	66.9	70%	0.701	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-14.9	176.7	-73.1	170.4	2.6	0	0	114.7	E205 K206 R207 Y211	E205-Q209 VanDerWaalsContact O-CG 3.31Å; E205-Q209 WeakPolarHBondContact O-CG 3.4Å; E205-Q209 PolarHBondContact O-N 3.23Å; K206-Q209 PolarHBondContact O-N 3.33Å; R207-Q209 VanDerWaalsContact C-N 3.31Å; R207-Q209 PolarHBondContact O-N 3.33Å; Q209-Y211 PolarHBondContact O-N 2.91Å
210	K	93.6	Very high	95.9	Very high	82 Å²	82	65.8 Å²	65.8	36%	0.357	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.2	173.3	-64	-177.3	-179.6	-177.3	0	113	E62 E63 R207 I208	E62-K210 HydrophobicContact CG-CD 4.12Å; E62-K210 WeakPolarHBondContact OE1-CD 3.39Å; E62-K210 WeakPolarHBondContact OE1-CE 3.48Å; E62-K210 IonicContact OE1-NZ 3.71Å; E62-K210 PolarHBondContact OE1-NZ 3.16Å; E63-K210 PolarHBondContact O-NZ 3.1Å; R207-K210 WeakPolarHBondContact O-CB 3.08Å; R207-K210 PolarHBondContact O-N 2.83Å; R207-K210 VanDerWaalsContact O-N 3.16Å; I208-K210 PolarHBondContact O-N 3.11Å; I208-K210 VanDerWaalsContact O-N 3.09Å
211	Y	94.9	Very high	95.9	Very high	19 Å²	19	65.8 Å²	65.8	8%	0.075	34%	0.336	C	S	.	.	S	Bend	trans	-98	165.8	179.1	-61.3	-99.3	0	0	0	110.8	F56 K57 Q59 R207 I208 Q209 E215 F218	F56-Y211 WeakPolarHBondContact CD2-OH 3.43Å; K57-Y211 HydrophobicContact CB-CE1 4.05Å; K57-Y211 WeakPolarHBondContact O-CE1 3.45Å; K57-Y211 PolarHBondContact O-OH 3.4Å; Q59-Y211 HydrophobicContact CG-CE1 4.2Å; R207-Y211 VanDerWaalsContact O-CD2 3.29Å; R207-Y211 WeakPolarHBondContact O-CD2 3.48Å; R207-Y211 WeakPolarHBondContact O-CE2 3.3Å; I208-Y211 WeakPolarHBondContact O-CB 3.32Å; I208-Y211 WeakPolarHBondContact O-CD2 3.48Å; I208-Y211 PolarHBondContact O-N 3.05Å; Q209-Y211 PolarHBondContact O-N 2.91Å; Y211-E215 HydrophobicContact CD1-CG 3.84Å; Y211-E215 HydrophobicContact CG-CG 4.07Å; Y211-F218 HydrophobicContact CD1-CE1 4.45Å; Y211-F218 HydrophobicContact CD1-CZ 4.15Å; Y211-F218 AromaticContact CD2-CE1 3.71Å; Y211-F218 HydrophobicContact CD2-CE1 3.71Å; Y211-F218 AromaticContact CD2-CZ 3.5Å; Y211-F218 HydrophobicContact CD2-CZ 3.5Å; Y211-F218 VanDerWaalsContact CD2-CZ 3.5Å; Y211-F218 HydrophobicContact CE1-CE1 4.4Å; Y211-F218 AromaticContact CE2-CE1 3.67Å; Y211-F218 HydrophobicContact CE2-CE1 3.67Å; Y211-F218 AromaticContact CE2-CZ 3.97Å; Y211-F218 HydrophobicContact CE2-CZ 3.97Å; Y211-F218 HydrophobicContact CG-CE1 4.13Å; Y211-F218 AromaticContact CG-CZ 3.61Å; Y211-F218 HydrophobicContact CG-CZ 3.61Å
212	S	93.1	Very high	96	Very high	87 Å²	87	63.2 Å²	63.2	61%	0.608	33%	0.326	S	S	*	.			trans	-64.1	151.9	174.3	55	0	0	0	0	110.8	G214 E215	S212-G214 PolarHBondContact O-N 2.82Å; S212-E215 WeakPolarHBondContact O-CB 3.43Å; S212-E215 PolarHBondContact O-N 2.77Å
213	E	90.5	Very high	96.1	Very high	210 Å²	210	59.8 Å²	59.8	98%	0.981	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.3	-178.2	-65.6	-178.1	173.8	0	0	114.1
214	G	93.5	Very high	96.1	Very high	63 Å²	63	58.7 Å²	58.7	65%	0.649	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.8	176.7	0	0	0	0	0	115	S212 I216	S212-G214 PolarHBondContact O-N 2.82Å; G214-I216 PolarHBondContact O-N 2.94Å
215	E	95.4	Very high	96.2	Very high	25 Å²	25	58.6 Å²	58.6	12%	0.117	30%	0.297	C	S	.	.			trans	-76.2	122.7	176.4	-176.4	60.5	-94.2	0	0	109.8	K57 Y211 S212 R217 F218	K57-E215 WeakPolarHBondContact CE-OE2 3.39Å; Y211-E215 HydrophobicContact CD1-CG 3.84Å; Y211-E215 HydrophobicContact CG-CG 4.07Å; S212-E215 WeakPolarHBondContact O-CB 3.43Å; S212-E215 PolarHBondContact O-N 2.77Å; E215-R217 WeakPolarHBondContact OE1-CB 3.22Å; E215-R217 VanDerWaalsContact OE1-CG 3.25Å; E215-R217 WeakPolarHBondContact OE1-CG 3.33Å; E215-R217 IonicContact OE1-CZ 2.71Å; E215-R217 PolarHBondContact OE1-N 3.19Å; E215-R217 IonicContact OE1-NE 3.19Å; E215-R217 PolarHBondContact OE1-NE 2.96Å; E215-R217 IonicContact OE1-NH2 3.43Å; E215-R217 IonicContact OE2-CZ 2.83Å; E215-R217 IonicContact OE2-NE 2.78Å; E215-R217 PolarHBondContact OE2-NE 3.47Å; E215-R217 IonicContact OE2-NH2 3.11Å; E215-R217 PolarHBondContact OE2-NH2 3.42Å; E215-F218 HydrophobicContact CB-CE2 4.45Å; E215-F218 HydrophobicContact CG-CE2 3.9Å; E215-F218 HydrophobicContact CG-CZ 3.85Å; E215-F218 WeakPolarHBondContact O-CE2 3.12Å
216	I	94.7	Very high	96.2	Very high	141 Å²	141	56.3 Å²	56.3	72%	0.723	29%	0.287	S	S	*	.			trans	-126	0.3	-177.8	62.3	168.4	0	0	0	112.2	G214 F218	G214-I216 PolarHBondContact O-N 2.94Å; I216-F218 PolarHBondContact O-N 2.79Å
217	R	96.3	Very high	96.4	Very high	101 Å²	101	50.8 Å²	50.8	38%	0.381	26%	0.262	S	S	.	.			trans	-84.2	67.2	-172	-59.4	173.2	-68.2	176.6	-2.3	110.9	D161 F163 E215	D161-R217 IonicContact OD2-CZ 3.75Å; D161-R217 IonicContact OD2-NH1 3.95Å; D161-R217 PolarHBondContact OD2-NH1 3Å; D161-R217 IonicContact OD2-NH2 3.77Å; F163-R217 HydrophobicContact CE1-CB 3.73Å; F163-R217 HydrophobicContact CZ-CB 4.15Å; E215-R217 WeakPolarHBondContact OE1-CB 3.22Å; E215-R217 VanDerWaalsContact OE1-CG 3.25Å; E215-R217 WeakPolarHBondContact OE1-CG 3.33Å; E215-R217 IonicContact OE1-CZ 2.71Å; E215-R217 PolarHBondContact OE1-N 3.19Å; E215-R217 IonicContact OE1-NE 3.19Å; E215-R217 PolarHBondContact OE1-NE 2.96Å; E215-R217 IonicContact OE1-NH2 3.43Å; E215-R217 IonicContact OE2-CZ 2.83Å; E215-R217 IonicContact OE2-NE 2.78Å; E215-R217 PolarHBondContact OE2-NE 3.47Å; E215-R217 IonicContact OE2-NH2 3.11Å; E215-R217 PolarHBondContact OE2-NH2 3.42Å
218	F	97.4	Very high	96.5	Very high	43 Å²	43	53.2 Å²	53.2	19%	0.189	27%	0.273	C	S	.	.			trans	-122.1	156.1	173	-53.9	-78.6	0	0	0	109.6	F54 L55 F56 I208 Y211 E215 I216	F54-F218 HydrophobicContact CE1-CD1 4.4Å; F54-F218 HydrophobicContact CE2-CB 3.97Å; F54-F218 HydrophobicContact CE2-CD1 4.16Å; F54-F218 HydrophobicContact CE2-CG 4.39Å; F54-F218 HydrophobicContact CZ-CB 4.24Å; F54-F218 AromaticContact CZ-CD1 3.57Å; F54-F218 HydrophobicContact CZ-CD1 3.57Å; F54-F218 HydrophobicContact CZ-CE1 4.29Å; F54-F218 HydrophobicContact CZ-CG 4.17Å; L55-F218 VanDerWaalsContact O-CA 3.29Å; L55-F218 WeakPolarHBondContact O-CA 3.38Å; F56-F218 HydrophobicContact CB-CD1 3.69Å; F56-F218 HydrophobicContact CB-CE1 3.82Å; I208-F218 HydrophobicContact CB-CZ 4.42Å; I208-F218 HydrophobicContact CG1-CD1 4.31Å; I208-F218 HydrophobicContact CG1-CD2 4.3Å; I208-F218 HydrophobicContact CG1-CE1 4.24Å; I208-F218 HydrophobicContact CG1-CE2 4.23Å; I208-F218 HydrophobicContact CG1-CG 4.34Å; I208-F218 HydrophobicContact CG1-CZ 4.2Å; I208-F218 HydrophobicContact CG2-CE2 3.94Å; I208-F218 HydrophobicContact CG2-CZ 4.21Å; Y211-F218 HydrophobicContact CD1-CE1 4.45Å; Y211-F218 HydrophobicContact CD1-CZ 4.15Å; Y211-F218 AromaticContact CD2-CE1 3.71Å; Y211-F218 HydrophobicContact CD2-CE1 3.71Å; Y211-F218 AromaticContact CD2-CZ 3.5Å; Y211-F218 HydrophobicContact CD2-CZ 3.5Å; Y211-F218 VanDerWaalsContact CD2-CZ 3.5Å; Y211-F218 HydrophobicContact CE1-CE1 4.4Å; Y211-F218 AromaticContact CE2-CE1 3.67Å; Y211-F218 HydrophobicContact CE2-CE1 3.67Å; Y211-F218 AromaticContact CE2-CZ 3.97Å; Y211-F218 HydrophobicContact CE2-CZ 3.97Å; Y211-F218 HydrophobicContact CG-CE1 4.13Å; Y211-F218 AromaticContact CG-CZ 3.61Å; Y211-F218 HydrophobicContact CG-CZ 3.61Å; E215-F218 HydrophobicContact CB-CE2 4.45Å; E215-F218 HydrophobicContact CG-CE2 3.9Å; E215-F218 HydrophobicContact CG-CZ 3.85Å; E215-F218 WeakPolarHBondContact O-CE2 3.12Å; I216-F218 PolarHBondContact O-N 2.79Å
219	N	98.3	Very high	96.6	Very high	29 Å²	29	52.6 Å²	52.6	16%	0.155	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	140	165.6	-171.9	-54.1	0	0	0	108.1	S13 E34 F54 L55	S13-N219 PolarHBondContact O-ND2 2.7Å; S13-N219 WeakPolarHBondContact OG-CB 3.19Å; S13-N219 PolarHBondContact OG-ND2 3.05Å; S13-N219 PolarHBondContact OG-OD1 2.93Å; E34-N219 PolarHBondContact OE1-ND2 3.27Å; F54-N219 WeakPolarHBondContact CD2-O 3.4Å; L55-N219 HydrophobicContact CB-CB 4.18Å; L55-N219 HydrophobicContact CD2-CB 4.44Å; L55-N219 PolarHBondContact N-O 3.3Å; L55-N219 PolarHBondContact O-N 2.87Å; L55-N219 VanDerWaalsContact O-N 3.12Å
220	L	98.7	Very high	96.8	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.3	175.6	-178.4	65.6	0	0	0	108.5	I35 L38 F43 L52 F54 I204	I35-L220 HydrophobicContact CB-CB 4.11Å; I35-L220 HydrophobicContact CB-CD2 3.93Å; I35-L220 HydrophobicContact CB-CG 3.98Å; I35-L220 WeakPolarHBondContact CB-O 3.5Å; I35-L220 HydrophobicContact CG1-CD2 4.21Å; I35-L220 HydrophobicContact CG1-CG 4.12Å; I35-L220 HydrophobicContact CG2-CD2 3.92Å; I35-L220 PolarHBondContact N-O 3.44Å; L38-L220 HydrophobicContact CD2-CD2 3.51Å; F43-L220 HydrophobicContact CE1-CD2 4.28Å; F43-L220 HydrophobicContact CZ-CD2 4.1Å; L52-L220 HydrophobicContact CB-CD1 3.94Å; L52-L220 HydrophobicContact CD1-CD1 4.22Å; L52-L220 HydrophobicContact CD1-CD2 4.39Å; L52-L220 HydrophobicContact CG-CD1 4.46Å; F54-L220 HydrophobicContact CB-CD1 3.88Å; F54-L220 HydrophobicContact CD2-CB 4.15Å; F54-L220 HydrophobicContact CD2-CD1 3.91Å; F54-L220 HydrophobicContact CG-CD1 4.31Å; I204-L220 HydrophobicContact CD1-CD1 3.88Å; I204-L220 HydrophobicContact CD1-CD2 3.81Å
221	M	98.8	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	150.1	174.6	-74.9	-178.3	-67.2	0	0	110.1	P15 F18 V32 E33 L52 I53 F165	P15-M221 HydrophobicContact CB-SD 4.47Å; F18-M221 HydrophobicContact CB-SD 4.25Å; F18-M221 HydrophobicContact CD1-CE 3.86Å; F18-M221 HydrophobicContact CD2-CE 3.52Å; F18-M221 HydrophobicContact CD2-SD 4.01Å; F18-M221 HydrophobicContact CE1-CE 3.89Å; F18-M221 HydrophobicContact CE2-CE 3.54Å; F18-M221 HydrophobicContact CG-CE 3.69Å; F18-M221 HydrophobicContact CG-SD 4.04Å; F18-M221 HydrophobicContact CZ-CE 3.72Å; V32-M221 HydrophobicContact CG1-CB 3.59Å; V32-M221 HydrophobicContact CG1-CG 4.03Å; V32-M221 HydrophobicContact CG1-SD 3.92Å; E33-M221 CarbonylContact O-C 3.6Å; E33-M221 WeakPolarHBondContact O-CA 3.38Å; L52-M221 CarbonylContact C-O 3.56Å; L52-M221 VanDerWaalsContact CA-O 3.28Å; L52-M221 WeakPolarHBondContact CA-O 3.49Å; I53-M221 HydrophobicContact CB-CB 4.45Å; I53-M221 HydrophobicContact CG2-CE 4.32Å; I53-M221 PolarHBondContact N-O 2.77Å; I53-M221 PolarHBondContact O-N 3Å; F165-M221 HydrophobicContact CE1-CE 4Å
222	A	98.8	Very high	97.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.7	178.6	0	0	0	0	0	109.9	V32 E33 I35 L46 V49 L52 V224	V32-A222 CarbonylContact C-O 3.52Å; V32-A222 VanDerWaalsContact CA-O 3.29Å; V32-A222 WeakPolarHBondContact CA-O 3.25Å; E33-A222 PolarHBondContact N-O 3.18Å; E33-A222 PolarHBondContact O-N 2.97Å; I35-A222 HydrophobicContact CD1-CB 3.99Å; I35-A222 HydrophobicContact CG1-CB 4.1Å; L46-A222 HydrophobicContact CD1-CB 4.29Å; V49-A222 HydrophobicContact CG1-CB 4.02Å; L52-A222 HydrophobicContact CD2-CB 3.52Å; A222-V224 HydrophobicContact CB-CG1 3.92Å
223	I	98.9	Very high	97.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	118.2	165.9	-55	-168.6	0	0	0	107.3	I22 A30 Q31 V32 H50 G51 I53 V96 L97	I22-I223 HydrophobicContact CD1-CD1 3.85Å; I22-I223 HydrophobicContact CD1-CG1 4.22Å; I22-I223 HydrophobicContact CD1-CG2 4.11Å; A30-I223 HydrophobicContact CB-CG2 4.21Å; Q31-I223 WeakPolarHBondContact O-CA 3.2Å; V32-I223 HydrophobicContact CG2-CG1 4.08Å; H50-I223 HydrophobicContact CB-CG2 4.42Å; H50-I223 PolarHBondContact N-O 3.46Å; G51-I223 PolarHBondContact N-O 3.27Å; G51-I223 PolarHBondContact O-N 3.1Å; I53-I223 HydrophobicContact CD1-CD1 4Å; I53-I223 HydrophobicContact CD1-CG1 4.29Å; V96-I223 HydrophobicContact CB-CD1 3.83Å; V96-I223 HydrophobicContact CG1-CB 4.21Å; V96-I223 HydrophobicContact CG1-CD1 3.82Å; V96-I223 HydrophobicContact CG1-CG1 4.38Å; V96-I223 HydrophobicContact CG2-CD1 4.2Å; L97-I223 HydrophobicContact CD2-CD1 4.47Å; L97-I223 HydrophobicContact CD2-CG2 4.15Å
224	V	98.8	Very high	97.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	165.7	-173.2	-60.3	0	0	0	0	109.8	A30 Q31 E33 L46 V49 H50 A222 R227	A30-V224 WeakPolarHBondContact CA-O 3.49Å; Q31-V224 HydrophobicContact CG-CG2 3.76Å; Q31-V224 PolarHBondContact N-O 2.64Å; Q31-V224 PolarHBondContact O-N 3.31Å; E33-V224 HydrophobicContact CG-CG2 3.9Å; L46-V224 HydrophobicContact CB-CG1 3.89Å; L46-V224 HydrophobicContact CD1-CG1 4.49Å; V49-V224 HydrophobicContact CG1-CG1 4.33Å; V49-V224 HydrophobicContact CG2-CG1 4.21Å; H50-V224 VanDerWaalsContact CD2-C 3.41Å; A222-V224 HydrophobicContact CB-CG1 3.92Å; V224-R227 HydrophobicContact CG2-CG 4.39Å
225	S	98.7	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	143.7	167.6	-66.5	0	0	0	0	110.6	G29 P48 H50 D104 R227	G29-S225 WeakPolarHBondContact O-CA 3.26Å; P48-S225 WeakPolarHBondContact CG-OG 3.47Å; P48-S225 PolarHBondContact O-N 3.09Å; H50-S225 PolarHBondContact CD2-N 3.42Å; H50-S225 PolarHBondContact CE1-OG 3.26Å; H50-S225 PolarHBondContact NE2-N 3.28Å; H50-S225 VanDerWaalsContact NE2-N 3.11Å; H50-S225 PolarHBondContact NE2-OG 3.47Å; D104-S225 VanDerWaalsContact CB-OG 3.24Å; D104-S225 WeakPolarHBondContact CB-OG 3.45Å; D104-S225 VanDerWaalsContact OD2-CB 3.29Å; D104-S225 WeakPolarHBondContact OD2-CB 3.45Å; D104-S225 PolarHBondContact OD2-OG 3.21Å; S225-R227 WeakPolarHBondContact O-CD 3.37Å; S225-R227 PolarHBondContact O-N 3.31Å; S225-R227 VanDerWaalsContact O-N 3.13Å
226	D	98.7	Very high	98	Very high	28 Å²	28	42.4 Å²	42.4	15%	0.15	21%	0.206	C	C	.	.			trans	-52.7	119.9	178.9	-179.5	-59.1	0	0	0	110.1	G29 K228 M229 I230	G29-D226 PolarHBondContact O-N 2.87Å; D226-K228 PolarHBondContact OD1-N 2.77Å; D226-K228 VanDerWaalsContact OD1-N 3.13Å; D226-M229 HydrophobicContact CB-CB 3.83Å; D226-M229 HydrophobicContact CB-CE 4.34Å; D226-M229 WeakPolarHBondContact O-CB 2.94Å; D226-M229 PolarHBondContact O-N 2.81Å; D226-M229 PolarHBondContact OD1-N 3.38Å; D226-I230 VanDerWaalsContact O-CG1 3.31Å; D226-I230 WeakPolarHBondContact O-CG1 3.35Å; D226-I230 PolarHBondContact O-N 2.77Å
227	R	98.5	Very high	98.1	Very high	15 Å²	15	39.3 Å²	39.3	6%	0.057	19%	0.188	C	C	.	.	H	α-helix	trans	-70.7	-40.7	-166.9	-61.1	-53.1	-56.7	178.6	-0.2	110.9	Q31 K45 L46 V224 S225 M229 I230 Y231 E273	Q31-R227 HydrophobicContact CG-CG 4.05Å; K45-R227 VanDerWaalsContact O-CZ 3.23Å; K45-R227 PolarHBondContact O-NH1 2.92Å; K45-R227 PolarHBondContact O-NH2 3.23Å; L46-R227 PolarHBondContact O-NH1 2.96Å; V224-R227 HydrophobicContact CG2-CG 4.39Å; S225-R227 WeakPolarHBondContact O-CD 3.37Å; S225-R227 PolarHBondContact O-N 3.31Å; S225-R227 VanDerWaalsContact O-N 3.13Å; R227-M229 VanDerWaalsContact C-N 3.33Å; R227-M229 PolarHBondContact O-N 2.76Å; R227-I230 PolarHBondContact O-N 2.65Å; R227-Y231 HydrophobicContact CB-CE2 3.94Å; R227-Y231 PolarHBondContact NE-OH 3.3Å; R227-Y231 PolarHBondContact NH2-OH 3.46Å; R227-Y231 WeakPolarHBondContact O-CD2 3.41Å; R227-Y231 WeakPolarHBondContact O-CE2 3.13Å; R227-Y231 PolarHBondContact O-N 3.39Å; R227-E273 HydrophobicContact CB-CG 3.82Å; R227-E273 WeakPolarHBondContact CB-OE1 3.5Å
228	K	98.2	Very high	98	Very high	59 Å²	59	35 Å²	35	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-61.2	-46	174.7	178.1	-179.8	170.7	-68.8	0	110.1	D226 I230 Y231 E232 I270 E273 V274	D226-K228 PolarHBondContact OD1-N 2.77Å; D226-K228 VanDerWaalsContact OD1-N 3.13Å; K228-I230 VanDerWaalsContact C-N 3.34Å; K228-I230 PolarHBondContact O-N 3.21Å; K228-Y231 PolarHBondContact O-N 2.87Å; K228-E232 VanDerWaalsContact CE-OE1 3.28Å; K228-E232 WeakPolarHBondContact CE-OE1 3.3Å; K228-E232 HydrophobicContact CG-CG 4.46Å; K228-E232 IonicContact NZ-OE1 3.37Å; K228-E232 PolarHBondContact NZ-OE1 3.47Å; K228-E232 IonicContact NZ-OE2 3.5Å; K228-E232 PolarHBondContact NZ-OE2 3.48Å; K228-E232 WeakPolarHBondContact O-CB 3.31Å; K228-E232 WeakPolarHBondContact O-CG 3.4Å; K228-E232 PolarHBondContact O-N 2.93Å; K228-I270 HydrophobicContact CG-CG2 4.37Å; K228-E273 HydrophobicContact CB-CB 4.25Å; K228-V274 HydrophobicContact CD-CG2 4.43Å
229	M	98.2	Very high	97.8	Very high	43 Å²	43	37.8 Å²	37.8	21%	0.212	19%	0.186	C	C	.	.	H	α-helix	trans	-57.6	-45.9	176.4	-178.1	-176.6	74.8	0	0	111.7	D104 D226 R227 E232 Q233	D104-M229 HydrophobicContact CB-CE 3.86Å; D226-M229 HydrophobicContact CB-CB 3.83Å; D226-M229 HydrophobicContact CB-CE 4.34Å; D226-M229 WeakPolarHBondContact O-CB 2.94Å; D226-M229 PolarHBondContact O-N 2.81Å; D226-M229 PolarHBondContact OD1-N 3.38Å; R227-M229 VanDerWaalsContact C-N 3.33Å; R227-M229 PolarHBondContact O-N 2.76Å; M229-E232 PolarHBondContact O-N 3.27Å; M229-Q233 WeakPolarHBondContact O-CB 3.36Å; M229-Q233 WeakPolarHBondContact O-CG 3.34Å; M229-Q233 PolarHBondContact O-N 3.21Å
230	I	98.2	Very high	97.6	Very high	37 Å²	37	42.5 Å²	42.5	19%	0.19	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-45.3	178.5	-68.6	-63	0	0	0	111.6	D226 R227 K228 Q233 K234	D226-I230 VanDerWaalsContact O-CG1 3.31Å; D226-I230 WeakPolarHBondContact O-CG1 3.35Å; D226-I230 PolarHBondContact O-N 2.77Å; R227-I230 PolarHBondContact O-N 2.65Å; K228-I230 VanDerWaalsContact C-N 3.34Å; K228-I230 PolarHBondContact O-N 3.21Å; I230-Q233 PolarHBondContact O-N 2.98Å; I230-K234 WeakPolarHBondContact O-CB 3.12Å; I230-K234 PolarHBondContact O-N 3.31Å
231	Y	98.3	Very high	97.1	Very high	29 Å²	29	44.7 Å²	44.7	11%	0.114	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-38.2	179.2	-58	-39.9	0	0	0	112.1	R227 K228 K234 I235 N266 L269 I270 E273	R227-Y231 HydrophobicContact CB-CE2 3.94Å; R227-Y231 PolarHBondContact NE-OH 3.3Å; R227-Y231 PolarHBondContact NH2-OH 3.46Å; R227-Y231 WeakPolarHBondContact O-CD2 3.41Å; R227-Y231 WeakPolarHBondContact O-CE2 3.13Å; R227-Y231 PolarHBondContact O-N 3.39Å; K228-Y231 PolarHBondContact O-N 2.87Å; Y231-K234 PolarHBondContact O-N 3.3Å; Y231-I235 WeakPolarHBondContact O-CG1 3.41Å; Y231-I235 PolarHBondContact O-N 2.77Å; Y231-N266 WeakPolarHBondContact CD1-OD1 3.48Å; Y231-L269 HydrophobicContact CD1-CB 4.44Å; Y231-L269 HydrophobicContact CD1-CD1 4.23Å; Y231-L269 HydrophobicContact CD2-CB 3.75Å; Y231-L269 HydrophobicContact CE1-CB 4.35Å; Y231-L269 HydrophobicContact CE1-CD1 3.83Å; Y231-L269 HydrophobicContact CE2-CB 3.63Å; Y231-L269 HydrophobicContact CG-CB 4.18Å; Y231-I270 VanDerWaalsContact CB-CG1 3.49Å; Y231-I270 HydrophobicContact CD2-CG1 4.21Å; Y231-I270 HydrophobicContact CG-CG1 4.33Å; Y231-E273 HydrophobicContact CD2-CG 4.23Å; Y231-E273 HydrophobicContact CE2-CG 3.87Å
232	E	98.4	Very high	96.4	Very high	86 Å²	86	46.8 Å²	46.8	40%	0.402	22%	0.223	S	C	.	.	H	α-helix	trans	-63.9	-44.7	174.8	-74.6	176.8	147.5	0	0	111.7	K228 M229 K234 I235 A236 I270	K228-E232 VanDerWaalsContact CE-OE1 3.28Å; K228-E232 WeakPolarHBondContact CE-OE1 3.3Å; K228-E232 HydrophobicContact CG-CG 4.46Å; K228-E232 IonicContact NZ-OE1 3.37Å; K228-E232 PolarHBondContact NZ-OE1 3.47Å; K228-E232 IonicContact NZ-OE2 3.5Å; K228-E232 PolarHBondContact NZ-OE2 3.48Å; K228-E232 WeakPolarHBondContact O-CB 3.31Å; K228-E232 WeakPolarHBondContact O-CG 3.4Å; K228-E232 PolarHBondContact O-N 2.93Å; M229-E232 PolarHBondContact O-N 3.27Å; E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 2.89Å; E232-I235 PolarHBondContact O-N 2.85Å; E232-A236 WeakPolarHBondContact O-CB 3.19Å; E232-A236 PolarHBondContact O-N 3.43Å; E232-I270 HydrophobicContact CG-CD1 3.73Å; E232-I270 HydrophobicContact CG-CG1 4.46Å
233	Q	97.6	Very high	95.8	Very high	105 Å²	105	51 Å²	51	49%	0.491	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-41.6	173.8	-75.4	178.1	-11.4	0	0	111.7	M229 I230 A236 E237	M229-Q233 WeakPolarHBondContact O-CB 3.36Å; M229-Q233 WeakPolarHBondContact O-CG 3.34Å; M229-Q233 PolarHBondContact O-N 3.21Å; I230-Q233 PolarHBondContact O-N 2.98Å; Q233-A236 PolarHBondContact O-N 3.12Å; Q233-E237 PolarHBondContact O-N 3.4Å
234	K	96.8	Very high	95.1	Very high	93 Å²	93	57.8 Å²	57.8	40%	0.404	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-43.2	178.3	-174.4	59.1	176.1	176.6	0	111.8	I230 Y231 E232 E237 L238	I230-K234 WeakPolarHBondContact O-CB 3.12Å; I230-K234 PolarHBondContact O-N 3.31Å; Y231-K234 PolarHBondContact O-N 3.3Å; E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 2.89Å; K234-E237 PolarHBondContact O-N 2.74Å; K234-L238 HydrophobicContact CG-CD1 4.07Å; K234-L238 VanDerWaalsContact O-CG 3.3Å; K234-L238 WeakPolarHBondContact O-CG 3.39Å; K234-L238 PolarHBondContact O-N 3.44Å
235	I	97.8	Very high	93.7	Very high	15 Å²	15	61.9 Å²	61.9	8%	0.077	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-46.7	174.3	-72.5	171.5	0	0	0	110.5	Y231 E232 E237 L238 Q239 V263 N266 Q267 I270	Y231-I235 WeakPolarHBondContact O-CG1 3.41Å; Y231-I235 PolarHBondContact O-N 2.77Å; E232-I235 PolarHBondContact O-N 2.85Å; I235-E237 PolarHBondContact O-N 2.85Å; I235-L238 PolarHBondContact O-N 3.14Å; I235-Q239 HydrophobicContact CG2-CG 4.11Å; I235-Q239 WeakPolarHBondContact O-CB 3.26Å; I235-Q239 VanDerWaalsContact O-CG 3.3Å; I235-Q239 WeakPolarHBondContact O-CG 3.25Å; I235-Q239 PolarHBondContact O-N 2.87Å; I235-V263 HydrophobicContact CG1-CG1 4.49Å; I235-V263 HydrophobicContact CG2-CG1 4.28Å; I235-N266 HydrophobicContact CD1-CB 3.78Å; I235-N266 HydrophobicContact CG1-CB 3.56Å; I235-Q267 HydrophobicContact CD1-CG 3.81Å; I235-I270 HydrophobicContact CD1-CD1 3.5Å; I235-I270 VanDerWaalsContact CD1-CD1 3.5Å
236	A	97.6	Very high	91.8	Very high	57 Å²	57	66.9 Å²	66.9	47%	0.471	34%	0.341	S	S	.	.	H	α-helix	trans	-56.8	-35.4	178.6	0	0	0	0	0	111.3	E232 Q233 R240	E232-A236 WeakPolarHBondContact O-CB 3.19Å; E232-A236 PolarHBondContact O-N 3.43Å; Q233-A236 PolarHBondContact O-N 3.12Å; A236-R240 PolarHBondContact O-N 3.12Å
237	E	96.4	Very high	90	Very high	75 Å²	75	72.2 Å²	72.2	35%	0.35	37%	0.367	S	S	.	.	H	α-helix	trans	-73.5	-46.6	174	-137.6	-166.2	79.1	0	0	115.4	Q233 K234 I235 Q239 R240 Q241	Q233-E237 PolarHBondContact O-N 3.4Å; K234-E237 PolarHBondContact O-N 2.74Å; I235-E237 PolarHBondContact O-N 2.85Å; E237-Q239 PolarHBondContact O-N 3.46Å; E237-R240 VanDerWaalsContact CD-NH2 3.27Å; E237-R240 WeakPolarHBondContact O-CA 3.47Å; E237-R240 WeakPolarHBondContact O-CB 3.37Å; E237-R240 PolarHBondContact O-N 2.88Å; E237-R240 IonicContact OE2-CZ 3.69Å; E237-R240 IonicContact OE2-NH1 2.65Å; E237-R240 PolarHBondContact OE2-NH1 3.1Å; E237-R240 IonicContact OE2-NH2 3.68Å; E237-R240 PolarHBondContact OE2-NH2 3.44Å; E237-Q241 WeakPolarHBondContact O-CG 3.35Å; E237-Q241 PolarHBondContact O-N 3.27Å; E237-Q241 PolarHBondContact OE1-NE2 2.98Å
238	L	95.1	Very high	88.4	Confident	10 Å²	10	79.2 Å²	79.2	5%	0.052	41%	0.405	C	S	.	.	H	α-helix	trans	-57.2	-36.8	177.4	-69.1	168.4	0	0	0	110.7	K234 I235 Q241 L242 I259 E262 V263	K234-L238 HydrophobicContact CG-CD1 4.07Å; K234-L238 VanDerWaalsContact O-CG 3.3Å; K234-L238 WeakPolarHBondContact O-CG 3.39Å; K234-L238 PolarHBondContact O-N 3.44Å; I235-L238 PolarHBondContact O-N 3.14Å; L238-Q241 PolarHBondContact O-N 3.11Å; L238-L242 WeakPolarHBondContact O-CG 3.27Å; L238-L242 PolarHBondContact O-N 3.44Å; L238-L242 VanDerWaalsContact O-N 3.09Å; L238-I259 HydrophobicContact CB-CG2 3.85Å; L238-I259 HydrophobicContact CD2-CG2 4.04Å; L238-I259 HydrophobicContact CG-CG2 4.49Å; L238-E262 HydrophobicContact CD1-CB 4.13Å; L238-E262 HydrophobicContact CD1-CG 3.8Å; L238-V263 HydrophobicContact CB-CG2 3.57Å; L238-V263 HydrophobicContact CD1-CG2 3.93Å; L238-V263 HydrophobicContact CG-CG2 4.39Å
239	Q	93.1	Very high	87	Confident	102 Å²	102	80.2 Å²	80.2	48%	0.477	42%	0.416	S	S	.	.	H	α-helix	trans	-67.8	-36	174.4	-73.2	177.7	-20.4	0	0	113.4	I235 E237 L242 A243	I235-Q239 HydrophobicContact CG2-CG 4.11Å; I235-Q239 WeakPolarHBondContact O-CB 3.26Å; I235-Q239 VanDerWaalsContact O-CG 3.3Å; I235-Q239 WeakPolarHBondContact O-CG 3.25Å; I235-Q239 PolarHBondContact O-N 2.87Å; E237-Q239 PolarHBondContact O-N 3.46Å; Q239-L242 PolarHBondContact O-N 3.38Å; Q239-A243 PolarHBondContact O-N 3.17Å
240	R	93.4	Very high	85.7	Confident	128 Å²	128	85 Å²	85	48%	0.483	44%	0.443	S	S	.	.	H	α-helix	trans	-65.5	-42.2	173	173.1	164.3	41.9	100.9	-11.4	111.4	A236 E237 L242 A243 E244	A236-R240 PolarHBondContact O-N 3.12Å; E237-R240 VanDerWaalsContact CD-NH2 3.27Å; E237-R240 WeakPolarHBondContact O-CA 3.47Å; E237-R240 WeakPolarHBondContact O-CB 3.37Å; E237-R240 PolarHBondContact O-N 2.88Å; E237-R240 IonicContact OE2-CZ 3.69Å; E237-R240 IonicContact OE2-NH1 2.65Å; E237-R240 PolarHBondContact OE2-NH1 3.1Å; E237-R240 IonicContact OE2-NH2 3.68Å; E237-R240 PolarHBondContact OE2-NH2 3.44Å; R240-L242 VanDerWaalsContact C-N 3.32Å; R240-L242 PolarHBondContact O-N 3.45Å; R240-A243 WeakPolarHBondContact O-CB 3.49Å; R240-A243 PolarHBondContact O-N 3.31Å; R240-A243 VanDerWaalsContact O-N 3.07Å; R240-E244 PolarHBondContact O-N 3.03Å
241	Q	88.5	Confident	84.5	Confident	56 Å²	56	91.3 Å²	91.3	26%	0.262	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-41.2	176.2	-66.1	175.1	15.1	0	0	111.7	E237 L238 A243 E244 E245 I259	E237-Q241 WeakPolarHBondContact O-CG 3.35Å; E237-Q241 PolarHBondContact O-N 3.27Å; E237-Q241 PolarHBondContact OE1-NE2 2.98Å; L238-Q241 PolarHBondContact O-N 3.11Å; Q241-A243 PolarHBondContact O-N 2.9Å; Q241-E244 PolarHBondContact O-N 3.07Å; Q241-E245 PolarHBondContact O-N 2.79Å; Q241-I259 HydrophobicContact CB-CD1 4.4Å
242	L	85.4	Confident	83.3	Confident	45 Å²	45	90.3 Å²	90.3	24%	0.236	47%	0.47	C	S	.	.	H	α-helix	trans	-61.4	-28.2	174.4	-74.3	169.9	0	0	0	113.7	L238 Q239 R240 L256 I259 Q260	L238-L242 WeakPolarHBondContact O-CG 3.27Å; L238-L242 PolarHBondContact O-N 3.44Å; L238-L242 VanDerWaalsContact O-N 3.09Å; Q239-L242 PolarHBondContact O-N 3.38Å; R240-L242 VanDerWaalsContact C-N 3.32Å; R240-L242 PolarHBondContact O-N 3.45Å; L242-L256 HydrophobicContact CD2-CB 4.49Å; L242-L256 HydrophobicContact CD2-CD1 3.4Å; L242-L256 HydrophobicContact CD2-CG 3.75Å; L242-I259 HydrophobicContact CD1-CG2 3.83Å; L242-I259 HydrophobicContact CD2-CB 4Å; L242-I259 HydrophobicContact CD2-CD1 4.2Å; L242-I259 HydrophobicContact CD2-CG2 3.89Å; L242-I259 HydrophobicContact CG-CB 4.28Å; L242-I259 HydrophobicContact CG-CG2 3.6Å; L242-Q260 HydrophobicContact CD1-CG 4.45Å
243	A	86.2	Confident	82.3	Confident	89 Å²	89	90.2 Å²	90.2	74%	0.736	47%	0.473	S	S	*	.	H	α-helix	trans	-82.4	-21.1	-179.4	0	0	0	0	0	113.3	Q239 R240 Q241	Q239-A243 PolarHBondContact O-N 3.17Å; R240-A243 WeakPolarHBondContact O-CB 3.49Å; R240-A243 PolarHBondContact O-N 3.31Å; R240-A243 VanDerWaalsContact O-N 3.07Å; Q241-A243 PolarHBondContact O-N 2.9Å
244	E	83.4	Confident	81.6	Confident	142 Å²	142	89.4 Å²	89.4	66%	0.664	48%	0.478	S	S	*	.	H	α-helix	trans	-92.6	-20.9	-175.6	-70.5	176.5	-171	0	0	113.3	R240 Q241	R240-E244 PolarHBondContact O-N 3.03Å; Q241-E244 PolarHBondContact O-N 3.07Å
245	E	69.7	Low	81.1	Confident	85 Å²	85	89 Å²	89	40%	0.397	48%	0.479	S	S	.	.	S	Bend	trans	-88.1	135.1	-174.9	-72.8	-159	168.6	0	0	114.7	Q241 M247	Q241-E245 PolarHBondContact O-N 2.79Å; E245-M247 PolarHBondContact O-N 3.34Å
246	P	57.8	Low	80.5	Confident	106 Å²	106	90.2 Å²	90.2	69%	0.688	49%	0.485	S	S	*	.			trans	-75.3	123.2	176.5	28.1	-30.1	0	0	0	111.6	D248	P246-D248 PolarHBondContact O-N 3.1Å
247	M	60.6	Low	80.1	Confident	139 Å²	139	91 Å²	91	69%	0.685	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-0.3	-170.2	-66.2	-179.8	76.1	0	0	116.6	E245	E245-M247 PolarHBondContact O-N 3.34Å
248	D	65.1	Low	80	Confident	162 Å²	162	90.1 Å²	90.1	87%	0.866	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	18.3	-162.8	-82.4	-23.1	0	0	0	115.8	P246	P246-D248 PolarHBondContact O-N 3.1Å
249	T	69.5	Low	79.8	Confident	80 Å²	80	90 Å²	90	49%	0.491	49%	0.492	S	S	.	.	S	Bend	trans	-122.2	144.4	173.6	65.6	0	0	0	0	112.4	Q251 G252 N253	T249-Q251 PolarHBondContact O-N 3.43Å; T249-G252 CarbonylContact O-C 3.5Å; T249-G252 WeakPolarHBondContact O-CA 3.33Å; T249-G252 PolarHBondContact O-N 3.25Å; T249-G252 PolarHBondContact OG1-N 2.89Å; T249-G252 VanDerWaalsContact OG1-N 3.12Å; T249-N253 PolarHBondContact O-N 3.35Å
250	D	71.9	Confident	79.8	Confident	145 Å²	145	90.2 Å²	90.2	78%	0.775	49%	0.493	S	S	*	.	H	α-helix	trans	-57.4	-33.5	176.2	-79	-23.2	0	0	0	112.4	N253 S254	D250-N253 PolarHBondContact O-N 3.17Å; D250-S254 PolarHBondContact O-N 3.2Å
251	Q	71.6	Confident	79.9	Confident	169 Å²	169	87.9 Å²	87.9	79%	0.79	50%	0.497	S	S	*	.	H	α-helix	trans	-65.5	-42.8	171.9	-73.7	-177.8	-7.2	0	0	111.7	T249 N253 S254 M255	T249-Q251 PolarHBondContact O-N 3.43Å; Q251-N253 VanDerWaalsContact C-N 3.32Å; Q251-N253 PolarHBondContact O-N 3.34Å; Q251-S254 PolarHBondContact O-N 3.4Å; Q251-M255 PolarHBondContact O-N 3.23Å
252	G	72.8	Confident	80.3	Confident	8 Å²	8	88.2 Å²	88.2	8%	0.082	50%	0.498	C	S	.	.	H	α-helix	trans	-57.7	-42.5	173.3	0	0	0	0	0	112.3	T249 S254 M255 L256	T249-G252 CarbonylContact O-C 3.5Å; T249-G252 WeakPolarHBondContact O-CA 3.33Å; T249-G252 PolarHBondContact O-N 3.25Å; T249-G252 PolarHBondContact OG1-N 2.89Å; T249-G252 VanDerWaalsContact OG1-N 3.12Å; G252-S254 PolarHBondContact O-N 3.14Å; G252-M255 PolarHBondContact O-N 3.25Å; G252-L256 WeakPolarHBondContact O-CB 3.35Å; G252-L256 PolarHBondContact O-N 3.27Å
253	N	77.7	Confident	80.8	Confident	84 Å²	84	86.8 Å²	86.8	45%	0.449	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-41.1	177.3	-76.1	-27.7	0	0	0	113.2	T249 D250 Q251 S257	T249-N253 PolarHBondContact O-N 3.35Å; D250-N253 PolarHBondContact O-N 3.17Å; Q251-N253 VanDerWaalsContact C-N 3.32Å; Q251-N253 PolarHBondContact O-N 3.34Å; N253-S257 PolarHBondContact O-N 3.47Å; N253-S257 VanDerWaalsContact O-N 3.09Å
254	S	84	Confident	81.3	Confident	87 Å²	87	85 Å²	85	61%	0.608	48%	0.477	S	S	*	.	H	α-helix	trans	-66.1	-42.3	176.1	-174.5	0	0	0	0	112	D250 Q251 G252 S257 A258	D250-S254 PolarHBondContact O-N 3.2Å; Q251-S254 PolarHBondContact O-N 3.4Å; G252-S254 PolarHBondContact O-N 3.14Å; S254-S257 PolarHBondContact O-N 3.11Å; S254-A258 PolarHBondContact O-N 2.74Å; S254-A258 VanDerWaalsContact O-N 3.14Å
255	M	84.7	Confident	82	Confident	86 Å²	86	83.1 Å²	83.1	42%	0.424	47%	0.466	S	S	.	.	H	α-helix	trans	-66.2	-44.7	178	-173.3	61.3	178.5	0	0	111.1	Q251 G252 S257 A258 I259	Q251-M255 PolarHBondContact O-N 3.23Å; G252-M255 PolarHBondContact O-N 3.25Å; M255-S257 VanDerWaalsContact C-N 3.31Å; M255-S257 PolarHBondContact O-N 3.03Å; M255-A258 WeakPolarHBondContact O-CB 3.44Å; M255-A258 PolarHBondContact O-N 3.5Å; M255-A258 VanDerWaalsContact O-N 3.12Å; M255-I259 HydrophobicContact CE-CD1 4Å; M255-I259 HydrophobicContact CE-CG1 4.09Å; M255-I259 HydrophobicContact CG-CD1 3.96Å; M255-I259 HydrophobicContact CG-CG1 4.43Å; M255-I259 WeakPolarHBondContact O-CG1 3.33Å; M255-I259 PolarHBondContact O-N 2.93Å
256	L	86.5	Confident	83.4	Confident	39 Å²	39	79.4 Å²	79.4	20%	0.204	45%	0.449	C	S	.	.	H	α-helix	trans	-55.7	-45.5	176.2	-165.3	101.2	0	0	0	111.4	L242 G252 I259 Q260	L242-L256 HydrophobicContact CD2-CB 4.49Å; L242-L256 HydrophobicContact CD2-CD1 3.4Å; L242-L256 HydrophobicContact CD2-CG 3.75Å; G252-L256 WeakPolarHBondContact O-CB 3.35Å; G252-L256 PolarHBondContact O-N 3.27Å; L256-I259 PolarHBondContact O-N 2.85Å; L256-Q260 WeakPolarHBondContact O-CB 3.46Å; L256-Q260 VanDerWaalsContact O-CG 3.28Å; L256-Q260 WeakPolarHBondContact O-CG 3.23Å; L256-Q260 PolarHBondContact O-N 2.73Å
257	S	89.7	Confident	85.3	Confident	74 Å²	74	79.6 Å²	79.6	52%	0.517	44%	0.441	S	S	.	.	H	α-helix	trans	-63.3	-41.7	177.1	-175.6	0	0	0	0	112.3	N253 S254 M255 Q260 S261	N253-S257 PolarHBondContact O-N 3.47Å; N253-S257 VanDerWaalsContact O-N 3.09Å; S254-S257 PolarHBondContact O-N 3.11Å; M255-S257 VanDerWaalsContact C-N 3.31Å; M255-S257 PolarHBondContact O-N 3.03Å; S257-Q260 PolarHBondContact O-N 2.66Å; S257-S261 WeakPolarHBondContact O-CB 3.29Å; S257-S261 PolarHBondContact O-N 3.35Å
258	A	92.3	Very high	87.1	Confident	56 Å²	56	78 Å²	78	46%	0.463	43%	0.433	S	S	.	.	H	α-helix	trans	-64	-44.1	176.4	0	0	0	0	0	111.9	S254 M255 S261 E262	S254-A258 PolarHBondContact O-N 2.74Å; S254-A258 VanDerWaalsContact O-N 3.14Å; M255-A258 WeakPolarHBondContact O-CB 3.44Å; M255-A258 PolarHBondContact O-N 3.5Å; M255-A258 VanDerWaalsContact O-N 3.12Å; A258-S261 PolarHBondContact O-N 2.71Å; A258-E262 PolarHBondContact O-N 3.12Å
259	I	92.5	Very high	88.7	Confident	7 Å²	7	72 Å²	72	4%	0.036	40%	0.401	C	S	.	.	H	α-helix	trans	-63.2	-45.1	177.1	-63.8	166.4	0	0	0	110.5	L238 Q241 L242 M255 L256 S261 E262 V263	L238-I259 HydrophobicContact CB-CG2 3.85Å; L238-I259 HydrophobicContact CD2-CG2 4.04Å; L238-I259 HydrophobicContact CG-CG2 4.49Å; Q241-I259 HydrophobicContact CB-CD1 4.4Å; L242-I259 HydrophobicContact CD1-CG2 3.83Å; L242-I259 HydrophobicContact CD2-CB 4Å; L242-I259 HydrophobicContact CD2-CD1 4.2Å; L242-I259 HydrophobicContact CD2-CG2 3.89Å; L242-I259 HydrophobicContact CG-CB 4.28Å; L242-I259 HydrophobicContact CG-CG2 3.6Å; M255-I259 HydrophobicContact CE-CD1 4Å; M255-I259 HydrophobicContact CE-CG1 4.09Å; M255-I259 HydrophobicContact CG-CD1 3.96Å; M255-I259 HydrophobicContact CG-CG1 4.43Å; M255-I259 WeakPolarHBondContact O-CG1 3.33Å; M255-I259 PolarHBondContact O-N 2.93Å; L256-I259 PolarHBondContact O-N 2.85Å; I259-S261 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 3.39Å; I259-E262 PolarHBondContact O-N 3.36Å; I259-V263 HydrophobicContact CG2-CG2 4.42Å; I259-V263 WeakPolarHBondContact O-CG2 3.49Å; I259-V263 PolarHBondContact O-N 3.06Å
260	Q	92.4	Very high	90	Very high	107 Å²	107	69.5 Å²	69.5	50%	0.5	38%	0.384	S	S	.	.	H	α-helix	trans	-60.9	-39.9	176.5	-74.7	176.2	-4.1	0	0	112.3	L242 L256 S257 V263 A264	L242-Q260 HydrophobicContact CD1-CG 4.45Å; L256-Q260 WeakPolarHBondContact O-CB 3.46Å; L256-Q260 VanDerWaalsContact O-CG 3.28Å; L256-Q260 WeakPolarHBondContact O-CG 3.23Å; L256-Q260 PolarHBondContact O-N 2.73Å; S257-Q260 PolarHBondContact O-N 2.66Å; Q260-V263 PolarHBondContact O-N 3.26Å; Q260-A264 WeakPolarHBondContact O-CB 3.29Å; Q260-A264 PolarHBondContact O-N 3.41Å
261	S	95.9	Very high	91.3	Very high	80 Å²	80	67.2 Å²	67.2	56%	0.559	37%	0.369	S	S	*	.	H	α-helix	trans	-63.2	-43	174.8	-173.4	0	0	0	0	111.8	S257 A258 I259 A264 K265	S257-S261 WeakPolarHBondContact O-CB 3.29Å; S257-S261 PolarHBondContact O-N 3.35Å; A258-S261 PolarHBondContact O-N 2.71Å; I259-S261 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 3.39Å; S261-A264 PolarHBondContact O-N 3.37Å; S261-K265 PolarHBondContact O-N 3.11Å
262	E	96.1	Very high	92.6	Very high	63 Å²	63	64.1 Å²	64.1	29%	0.294	35%	0.354	S	S	.	.	H	α-helix	trans	-67.8	-36.5	177.2	-168.5	60.6	-149.1	0	0	111.7	L238 A258 I259 K265 N266	L238-E262 HydrophobicContact CD1-CB 4.13Å; L238-E262 HydrophobicContact CD1-CG 3.8Å; A258-E262 PolarHBondContact O-N 3.12Å; I259-E262 PolarHBondContact O-N 3.36Å; E262-K265 PolarHBondContact O-N 2.88Å; E262-K265 IonicContact OE1-NZ 3.16Å; E262-K265 PolarHBondContact OE1-NZ 2.66Å; E262-K265 IonicContact OE2-NZ 2.64Å; E262-K265 PolarHBondContact OE2-NZ 3.34Å; E262-N266 PolarHBondContact O-N 3.25Å; E262-N266 PolarHBondContact O-ND2 3.46Å; E262-N266 PolarHBondContact OE1-ND2 3.46Å
263	V	96.4	Very high	93.8	Very high	14 Å²	14	64.3 Å²	64.3	9%	0.085	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-47.3	171.6	169.9	0	0	0	0	110.8	I235 L238 I259 Q260 K265 N266 Q267	I235-V263 HydrophobicContact CG1-CG1 4.49Å; I235-V263 HydrophobicContact CG2-CG1 4.28Å; L238-V263 HydrophobicContact CB-CG2 3.57Å; L238-V263 HydrophobicContact CD1-CG2 3.93Å; L238-V263 HydrophobicContact CG-CG2 4.39Å; I259-V263 HydrophobicContact CG2-CG2 4.42Å; I259-V263 WeakPolarHBondContact O-CG2 3.49Å; I259-V263 PolarHBondContact O-N 3.06Å; Q260-V263 PolarHBondContact O-N 3.26Å; V263-K265 VanDerWaalsContact C-N 3.31Å; V263-K265 PolarHBondContact O-N 2.93Å; V263-N266 PolarHBondContact O-N 2.84Å; V263-Q267 HydrophobicContact CG1-CG 4.49Å; V263-Q267 WeakPolarHBondContact O-CG 3.42Å; V263-Q267 PolarHBondContact O-N 3.37Å
264	A	97.2	Very high	94.8	Very high	53 Å²	53	62.1 Å²	62.1	44%	0.438	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-40.1	178.5	0	0	0	0	0	112	Q260 S261 Q267 M268	Q260-A264 WeakPolarHBondContact O-CB 3.29Å; Q260-A264 PolarHBondContact O-N 3.41Å; S261-A264 PolarHBondContact O-N 3.37Å; A264-Q267 PolarHBondContact O-N 2.9Å; A264-M268 PolarHBondContact O-N 3.02Å
265	K	97.9	Very high	95.5	Very high	101 Å²	101	62.3 Å²	62.3	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-46.9	173.2	174.4	-178.7	156.8	-141.8	0	112	S261 E262 V263 Q267 M268 L269	S261-K265 PolarHBondContact O-N 3.11Å; E262-K265 PolarHBondContact O-N 2.88Å; E262-K265 IonicContact OE1-NZ 3.16Å; E262-K265 PolarHBondContact OE1-NZ 2.66Å; E262-K265 IonicContact OE2-NZ 2.64Å; E262-K265 PolarHBondContact OE2-NZ 3.34Å; V263-K265 VanDerWaalsContact C-N 3.31Å; V263-K265 PolarHBondContact O-N 2.93Å; K265-Q267 VanDerWaalsContact C-N 3.31Å; K265-Q267 PolarHBondContact O-N 2.92Å; K265-M268 WeakPolarHBondContact O-CB 3.26Å; K265-M268 PolarHBondContact O-N 3.03Å; K265-L269 HydrophobicContact CG-CD1 4.32Å; K265-L269 WeakPolarHBondContact O-CG 3.36Å; K265-L269 PolarHBondContact O-N 2.95Å
266	N	98	Very high	96.1	Very high	7 Å²	7	59.6 Å²	59.6	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-33.3	177.8	-77	-86.9	0	0	0	112.1	Y231 I235 E262 V263 L269 I270	Y231-N266 WeakPolarHBondContact CD1-OD1 3.48Å; I235-N266 HydrophobicContact CD1-CB 3.78Å; I235-N266 HydrophobicContact CG1-CB 3.56Å; E262-N266 PolarHBondContact O-N 3.25Å; E262-N266 PolarHBondContact O-ND2 3.46Å; E262-N266 PolarHBondContact OE1-ND2 3.46Å; V263-N266 PolarHBondContact O-N 2.84Å; N266-L269 PolarHBondContact O-N 3.47Å; N266-I270 VanDerWaalsContact O-CG1 3.31Å; N266-I270 WeakPolarHBondContact O-CG1 3.15Å; N266-I270 PolarHBondContact O-N 2.88Å
267	Q	98.2	Very high	96.6	Very high	110 Å²	110	59.8 Å²	59.8	51%	0.514	32%	0.321	S	S	.	.	H	α-helix	trans	-63.4	-42.4	172.9	-74.5	177.4	-3.5	0	0	112.1	I235 V263 A264 K265 I270 E271	I235-Q267 HydrophobicContact CD1-CG 3.81Å; V263-Q267 HydrophobicContact CG1-CG 4.49Å; V263-Q267 WeakPolarHBondContact O-CG 3.42Å; V263-Q267 PolarHBondContact O-N 3.37Å; A264-Q267 PolarHBondContact O-N 2.9Å; K265-Q267 VanDerWaalsContact C-N 3.31Å; K265-Q267 PolarHBondContact O-N 2.92Å; Q267-I270 PolarHBondContact O-N 3.15Å; Q267-E271 PolarHBondContact O-N 3.37Å; Q267-E271 VanDerWaalsContact O-N 3.09Å
268	M	98.4	Very high	97.1	Very high	106 Å²	106	61.2 Å²	61.2	52%	0.522	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-45	174.5	-174.4	-170.6	77.6	0	0	111.3	A264 K265 I270 E271 E272	A264-M268 PolarHBondContact O-N 3.02Å; K265-M268 WeakPolarHBondContact O-CB 3.26Å; K265-M268 PolarHBondContact O-N 3.03Å; M268-I270 VanDerWaalsContact C-N 3.32Å; M268-I270 PolarHBondContact O-N 3.44Å; M268-E271 PolarHBondContact O-N 2.8Å; M268-E271 VanDerWaalsContact O-N 3.11Å; M268-E272 PolarHBondContact O-N 3.4Å
269	L	98.3	Very high	97.3	Very high	36 Å²	36	65 Å²	65	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-36.4	177	-67.9	171	0	0	0	112.5	Y231 K265 N266 E271 E272 E273	Y231-L269 HydrophobicContact CD1-CB 4.44Å; Y231-L269 HydrophobicContact CD1-CD1 4.23Å; Y231-L269 HydrophobicContact CD2-CB 3.75Å; Y231-L269 HydrophobicContact CE1-CB 4.35Å; Y231-L269 HydrophobicContact CE1-CD1 3.83Å; Y231-L269 HydrophobicContact CE2-CB 3.63Å; Y231-L269 HydrophobicContact CG-CB 4.18Å; K265-L269 HydrophobicContact CG-CD1 4.32Å; K265-L269 WeakPolarHBondContact O-CG 3.36Å; K265-L269 PolarHBondContact O-N 2.95Å; N266-L269 PolarHBondContact O-N 3.47Å; L269-E271 VanDerWaalsContact C-N 3.35Å; L269-E272 PolarHBondContact O-N 3.29Å; L269-E273 WeakPolarHBondContact O-CG 3.22Å; L269-E273 PolarHBondContact O-N 3.3Å
270	I	98.6	Very high	97.6	Very high	27 Å²	27	65.4 Å²	65.4	14%	0.138	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-43	172.6	-71.8	166	0	0	0	110.9	K228 Y231 E232 I235 N266 Q267 M268 E272 E273 V274	K228-I270 HydrophobicContact CG-CG2 4.37Å; Y231-I270 VanDerWaalsContact CB-CG1 3.49Å; Y231-I270 HydrophobicContact CD2-CG1 4.21Å; Y231-I270 HydrophobicContact CG-CG1 4.33Å; E232-I270 HydrophobicContact CG-CD1 3.73Å; E232-I270 HydrophobicContact CG-CG1 4.46Å; I235-I270 HydrophobicContact CD1-CD1 3.5Å; I235-I270 VanDerWaalsContact CD1-CD1 3.5Å; N266-I270 VanDerWaalsContact O-CG1 3.31Å; N266-I270 WeakPolarHBondContact O-CG1 3.15Å; N266-I270 PolarHBondContact O-N 2.88Å; Q267-I270 PolarHBondContact O-N 3.15Å; M268-I270 VanDerWaalsContact C-N 3.32Å; M268-I270 PolarHBondContact O-N 3.44Å; I270-E272 VanDerWaalsContact C-N 3.34Å; I270-E273 PolarHBondContact O-N 3.06Å; I270-V274 HydrophobicContact CG2-CG2 4.34Å; I270-V274 VanDerWaalsContact O-CG2 3.3Å; I270-V274 WeakPolarHBondContact O-CG2 3.39Å; I270-V274 PolarHBondContact O-N 3.44Å
271	E	98.6	Very high	97.9	Very high	98 Å²	98	67.3 Å²	67.3	46%	0.458	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-40.9	178	-174.7	57.3	-148	0	0	111.3	Q267 M268 L269 E273 V274 Q275	Q267-E271 PolarHBondContact O-N 3.37Å; Q267-E271 VanDerWaalsContact O-N 3.09Å; M268-E271 PolarHBondContact O-N 2.8Å; M268-E271 VanDerWaalsContact O-N 3.11Å; L269-E271 VanDerWaalsContact C-N 3.35Å; E271-E273 PolarHBondContact O-N 3.29Å; E271-V274 PolarHBondContact O-N 2.77Å; E271-Q275 WeakPolarHBondContact O-CG 3.45Å; E271-Q275 PolarHBondContact O-N 3.32Å; E271-Q275 PolarHBondContact OE1-NE2 3.41Å
272	E	98.3	Very high	98	Very high	104 Å²	104	67.6 Å²	67.6	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-57.8	-46.2	172.6	-70.4	175.3	-171.8	0	0	111.9	M268 L269 I270 V274 Q275 K276	M268-E272 PolarHBondContact O-N 3.4Å; L269-E272 PolarHBondContact O-N 3.29Å; I270-E272 VanDerWaalsContact C-N 3.34Å; E272-V274 PolarHBondContact O-N 2.85Å; E272-Q275 PolarHBondContact O-N 2.92Å; E272-K276 WeakPolarHBondContact O-CB 3.2Å; E272-K276 PolarHBondContact O-N 2.83Å
273	E	98.5	Very high	98	Very high	12 Å²	12	66.8 Å²	66.8	6%	0.056	32%	0.318	C	S	.	.	H	α-helix	trans	-60.9	-42.6	174.6	-74.7	-59.4	142.1	0	0	112.2	Q31 R227 K228 Y231 L269 I270 E271 Q275 K276 L277	Q31-E273 PolarHBondContact NE2-OE2 3.14Å; R227-E273 HydrophobicContact CB-CG 3.82Å; R227-E273 WeakPolarHBondContact CB-OE1 3.5Å; K228-E273 HydrophobicContact CB-CB 4.25Å; Y231-E273 HydrophobicContact CD2-CG 4.23Å; Y231-E273 HydrophobicContact CE2-CG 3.87Å; L269-E273 WeakPolarHBondContact O-CG 3.22Å; L269-E273 PolarHBondContact O-N 3.3Å; I270-E273 PolarHBondContact O-N 3.06Å; E271-E273 PolarHBondContact O-N 3.29Å; E273-Q275 VanDerWaalsContact C-N 3.34Å; E273-Q275 PolarHBondContact O-N 3.47Å; E273-K276 PolarHBondContact O-N 2.78Å; E273-K276 VanDerWaalsContact OE1-CE 3.26Å; E273-K276 WeakPolarHBondContact OE1-CE 3.42Å; E273-K276 IonicContact OE1-NZ 3.18Å; E273-K276 PolarHBondContact OE1-NZ 2.93Å; E273-K276 WeakPolarHBondContact OE2-CE 3.2Å; E273-K276 IonicContact OE2-NZ 3.42Å; E273-K276 PolarHBondContact OE2-NZ 3Å; E273-K276 VanDerWaalsContact OE2-NZ 3.12Å; E273-L277 WeakPolarHBondContact O-CB 3.37Å; E273-L277 VanDerWaalsContact O-CG 3.31Å; E273-L277 WeakPolarHBondContact O-CG 3.49Å; E273-L277 PolarHBondContact O-N 3.04Å
274	V	98.4	Very high	98	Very high	37 Å²	37	66.6 Å²	66.6	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-43.8	177.2	166.6	0	0	0	0	110.8	K228 I270 E271 E272 K278	K228-V274 HydrophobicContact CD-CG2 4.43Å; I270-V274 HydrophobicContact CG2-CG2 4.34Å; I270-V274 VanDerWaalsContact O-CG2 3.3Å; I270-V274 WeakPolarHBondContact O-CG2 3.39Å; I270-V274 PolarHBondContact O-N 3.44Å; E271-V274 PolarHBondContact O-N 2.77Å; E272-V274 PolarHBondContact O-N 2.85Å; V274-K278 HydrophobicContact CG1-CD 4.3Å; V274-K278 VanDerWaalsContact O-CG 3.26Å; V274-K278 WeakPolarHBondContact O-CG 3.38Å; V274-K278 PolarHBondContact O-N 3.17Å
275	Q	98.5	Very high	98	Very high	92 Å²	92	69 Å²	69	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-67.9	-39.7	177.1	-64.1	-56.9	-32.6	0	0	112.1	E271 E272 E273 K278 R279	E271-Q275 WeakPolarHBondContact O-CG 3.45Å; E271-Q275 PolarHBondContact O-N 3.32Å; E271-Q275 PolarHBondContact OE1-NE2 3.41Å; E272-Q275 PolarHBondContact O-N 2.92Å; E273-Q275 VanDerWaalsContact C-N 3.34Å; E273-Q275 PolarHBondContact O-N 3.47Å; Q275-K278 WeakPolarHBondContact O-CB 3.41Å; Q275-K278 PolarHBondContact O-N 3.06Å; Q275-R279 PolarHBondContact O-N 3.18Å
276	K	98.4	Very high	97.9	Very high	29 Å²	29	71.8 Å²	71.8	13%	0.126	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-48.1	174.6	-179.1	172.3	55	178.6	0	111.8	E33 E272 E273 K278 R279 Y280	E33-K276 IonicContact OE1-NZ 2.66Å; E33-K276 PolarHBondContact OE1-NZ 3.04Å; E33-K276 IonicContact OE2-NZ 3.36Å; E33-K276 PolarHBondContact OE2-NZ 3.01Å; E272-K276 WeakPolarHBondContact O-CB 3.2Å; E272-K276 PolarHBondContact O-N 2.83Å; E273-K276 PolarHBondContact O-N 2.78Å; E273-K276 VanDerWaalsContact OE1-CE 3.26Å; E273-K276 WeakPolarHBondContact OE1-CE 3.42Å; E273-K276 IonicContact OE1-NZ 3.18Å; E273-K276 PolarHBondContact OE1-NZ 2.93Å; E273-K276 WeakPolarHBondContact OE2-CE 3.2Å; E273-K276 IonicContact OE2-NZ 3.42Å; E273-K276 PolarHBondContact OE2-NZ 3Å; E273-K276 VanDerWaalsContact OE2-NZ 3.12Å; K276-K278 VanDerWaalsContact C-N 3.32Å; K276-K278 PolarHBondContact O-N 3.12Å; K276-R279 WeakPolarHBondContact O-CB 3.39Å; K276-R279 PolarHBondContact O-N 3.21Å; K276-R279 VanDerWaalsContact O-N 3.12Å; K276-Y280 HydrophobicContact CD-CE2 4.09Å; K276-Y280 HydrophobicContact CG-CD1 4.48Å; K276-Y280 HydrophobicContact CG-CD2 4.26Å; K276-Y280 HydrophobicContact CG-CE1 4Å; K276-Y280 HydrophobicContact CG-CE2 3.75Å; K276-Y280 PolarHBondContact O-N 3.4Å
277	L	97.2	Very high	97.7	Very high	43 Å²	43	73.8 Å²	73.8	23%	0.225	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-35.9	177.6	-72.2	173.7	0	0	0	112.5	E273 Y280 K281	E273-L277 WeakPolarHBondContact O-CB 3.37Å; E273-L277 VanDerWaalsContact O-CG 3.31Å; E273-L277 WeakPolarHBondContact O-CG 3.49Å; E273-L277 PolarHBondContact O-N 3.04Å; L277-Y280 HydrophobicContact CD2-CD2 4.37Å; L277-K281 PolarHBondContact O-N 3.45Å
278	K	98.3	Very high	97.4	Very high	104 Å²	104	72.2 Å²	72.2	45%	0.452	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-47	170.8	-74.9	170	-171.2	167	0	111.1	V274 Q275 K276 K281 I282	V274-K278 HydrophobicContact CG1-CD 4.3Å; V274-K278 VanDerWaalsContact O-CG 3.26Å; V274-K278 WeakPolarHBondContact O-CG 3.38Å; V274-K278 PolarHBondContact O-N 3.17Å; Q275-K278 WeakPolarHBondContact O-CB 3.41Å; Q275-K278 PolarHBondContact O-N 3.06Å; K276-K278 VanDerWaalsContact C-N 3.32Å; K276-K278 PolarHBondContact O-N 3.12Å; K278-K281 PolarHBondContact O-N 3.1Å; K278-I282 WeakPolarHBondContact O-CG1 3.27Å; K278-I282 PolarHBondContact O-N 2.89Å
279	R	98.5	Very high	97.1	Very high	134 Å²	134	72.1 Å²	72.1	51%	0.506	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-48.2	177.8	179	172.6	62.6	131.9	-4.8	111.5	Q275 K276 K281 I282 E283	Q275-R279 PolarHBondContact O-N 3.18Å; K276-R279 WeakPolarHBondContact O-CB 3.39Å; K276-R279 PolarHBondContact O-N 3.21Å; K276-R279 VanDerWaalsContact O-N 3.12Å; R279-K281 VanDerWaalsContact C-N 3.27Å; R279-K281 PolarHBondContact O-N 2.85Å; R279-I282 WeakPolarHBondContact O-CB 3.29Å; R279-I282 PolarHBondContact O-N 2.82Å; R279-E283 WeakPolarHBondContact CD-OE1 3.5Å; R279-E283 HydrophobicContact CG-CG 4.23Å; R279-E283 VanDerWaalsContact CG-OE1 3.23Å; R279-E283 WeakPolarHBondContact CG-OE1 3.23Å; R279-E283 IonicContact NH1-OE1 3.02Å; R279-E283 WeakPolarHBondContact O-CG 3.49Å; R279-E283 PolarHBondContact O-N 3Å
280	Y	98.3	Very high	96.7	Very high	16 Å²	16	72.9 Å²	72.9	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-55.4	-42.7	175.3	-70.2	-13.5	0	0	0	112.1	P15 G16 K276 L277 E283 N284	P15-Y280 WeakPolarHBondContact CB-OH 3.49Å; P15-Y280 HydrophobicContact CG-CE1 4.31Å; P15-Y280 VanDerWaalsContact CG-OH 3.26Å; P15-Y280 WeakPolarHBondContact CG-OH 3.3Å; G16-Y280 VanDerWaalsContact CA-CD2 3.46Å; G16-Y280 VanDerWaalsContact CA-CG 3.4Å; K276-Y280 HydrophobicContact CD-CE2 4.09Å; K276-Y280 HydrophobicContact CG-CD1 4.48Å; K276-Y280 HydrophobicContact CG-CD2 4.26Å; K276-Y280 HydrophobicContact CG-CE1 4Å; K276-Y280 HydrophobicContact CG-CE2 3.75Å; K276-Y280 PolarHBondContact O-N 3.4Å; L277-Y280 HydrophobicContact CD2-CD2 4.37Å; Y280-E283 PolarHBondContact O-N 2.91Å; Y280-N284 VanDerWaalsContact O-CB 3.27Å; Y280-N284 WeakPolarHBondContact O-CB 3.26Å; Y280-N284 PolarHBondContact O-N 3.03Å; Y280-N284 PolarHBondContact O-ND2 3.48Å
281	K	97.5	Very high	96.4	Very high	148 Å²	148	76.5 Å²	76.5	64%	0.643	34%	0.343	S	S	*	.	H	α-helix	trans	-62.6	-44.4	176	-169.3	173.8	-176.7	176.2	0	112.1	L277 K278 R279 N284 I285	L277-K281 PolarHBondContact O-N 3.45Å; K278-K281 PolarHBondContact O-N 3.1Å; R279-K281 VanDerWaalsContact C-N 3.27Å; R279-K281 PolarHBondContact O-N 2.85Å; K281-N284 PolarHBondContact O-N 3.14Å; K281-I285 HydrophobicContact CG-CD1 4.24Å; K281-I285 WeakPolarHBondContact O-CD1 3.42Å; K281-I285 VanDerWaalsContact O-CG1 3.23Å; K281-I285 WeakPolarHBondContact O-CG1 3.44Å; K281-I285 PolarHBondContact O-N 3.44Å
282	I	98.4	Very high	96.1	Very high	86 Å²	86	74.5 Å²	74.5	44%	0.441	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-46	177.3	-68.4	166	0	0	0	110.9	K278 R279 I285 R286	K278-I282 WeakPolarHBondContact O-CG1 3.27Å; K278-I282 PolarHBondContact O-N 2.89Å; R279-I282 WeakPolarHBondContact O-CB 3.29Å; R279-I282 PolarHBondContact O-N 2.82Å; I282-I285 PolarHBondContact O-N 3.22Å; I282-R286 WeakPolarHBondContact O-CG 3.25Å; I282-R286 PolarHBondContact O-N 2.93Å
283	E	97.5	Very high	95.9	Very high	45 Å²	45	73.4 Å²	73.4	21%	0.21	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-42.2	178.5	-66.8	169.2	174.6	0	0	111	R279 Y280 I285 R286 R287	R279-E283 WeakPolarHBondContact CD-OE1 3.5Å; R279-E283 HydrophobicContact CG-CG 4.23Å; R279-E283 VanDerWaalsContact CG-OE1 3.23Å; R279-E283 WeakPolarHBondContact CG-OE1 3.23Å; R279-E283 IonicContact NH1-OE1 3.02Å; R279-E283 WeakPolarHBondContact O-CG 3.49Å; R279-E283 PolarHBondContact O-N 3Å; Y280-E283 PolarHBondContact O-N 2.91Å; E283-I285 VanDerWaalsContact C-N 3.34Å; E283-I285 PolarHBondContact O-N 3.27Å; E283-R286 CarbonylContact O-C 3.49Å; E283-R286 WeakPolarHBondContact O-CB 3.43Å; E283-R286 PolarHBondContact O-N 2.86Å; E283-R286 VanDerWaalsContact O-N 3.12Å; E283-R287 WeakPolarHBondContact O-CB 3.4Å; E283-R287 VanDerWaalsContact O-CG 3.3Å; E283-R287 WeakPolarHBondContact O-CG 3.48Å; E283-R287 PolarHBondContact O-N 3.49Å; E283-R287 IonicContact OE2-NH1 3.41Å; E283-R287 PolarHBondContact OE2-NH1 2.67Å; E283-R287 IonicContact OE2-NH2 2.93Å
284	N	96	Very high	95.8	Very high	11 Å²	11	78.8 Å²	78.8	6%	0.059	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-36.3	175.9	-72.4	-18.3	0	0	0	112.4	G16 E20 Y280 K281 R287 K288	G16-N284 PolarHBondContact O-ND2 3.42Å; G16-N284 VanDerWaalsContact O-ND2 3.11Å; E20-N284 WeakPolarHBondContact CB-ND2 3.48Å; Y280-N284 VanDerWaalsContact O-CB 3.27Å; Y280-N284 WeakPolarHBondContact O-CB 3.26Å; Y280-N284 PolarHBondContact O-N 3.03Å; Y280-N284 PolarHBondContact O-ND2 3.48Å; K281-N284 PolarHBondContact O-N 3.14Å; N284-R287 PolarHBondContact O-N 3.33Å; N284-R287 PolarHBondContact OD1-NH1 2.75Å; N284-K288 WeakPolarHBondContact O-CB 3.26Å; N284-K288 VanDerWaalsContact O-CG 3.29Å; N284-K288 WeakPolarHBondContact O-CG 3.27Å; N284-K288 PolarHBondContact O-N 3.05Å
285	I	96.3	Very high	95.6	Very high	103 Å²	103	79.3 Å²	79.3	53%	0.528	36%	0.361	S	S	.	.	H	α-helix	trans	-59.8	-48.4	170.8	-70.5	162.3	0	0	0	109.7	K281 I282 E283 K288 H289	K281-I285 HydrophobicContact CG-CD1 4.24Å; K281-I285 WeakPolarHBondContact O-CD1 3.42Å; K281-I285 VanDerWaalsContact O-CG1 3.23Å; K281-I285 WeakPolarHBondContact O-CG1 3.44Å; K281-I285 PolarHBondContact O-N 3.44Å; I282-I285 PolarHBondContact O-N 3.22Å; E283-I285 VanDerWaalsContact C-N 3.34Å; E283-I285 PolarHBondContact O-N 3.27Å; I285-K288 PolarHBondContact O-N 2.96Å; I285-H289 VanDerWaalsContact O-CB 3.29Å; I285-H289 WeakPolarHBondContact O-CB 3.35Å; I285-H289 PolarHBondContact O-N 2.84Å
286	R	95.8	Very high	95.4	Very high	159 Å²	159	80.3 Å²	80.3	60%	0.6	37%	0.367	S	S	*	.	H	α-helix	trans	-63.4	-44	178.9	-67.1	173.4	-175.9	-173.6	1.3	112.2	I282 E283 K288 H289	I282-R286 WeakPolarHBondContact O-CG 3.25Å; I282-R286 PolarHBondContact O-N 2.93Å; E283-R286 CarbonylContact O-C 3.49Å; E283-R286 WeakPolarHBondContact O-CB 3.43Å; E283-R286 PolarHBondContact O-N 2.86Å; E283-R286 VanDerWaalsContact O-N 3.12Å; R286-K288 VanDerWaalsContact C-N 3.33Å; R286-K288 PolarHBondContact O-N 3.43Å; R286-H289 PolarHBondContact O-N 3.19Å
287	R	93.8	Very high	95.4	Very high	49 Å²	49	83.5 Å²	83.5	19%	0.185	38%	0.382	C	S	.	.	H	α-helix	trans	-59.6	-41.5	179.5	-76.8	175	178.6	115.9	6.6	112.3	E12 D14 E283 N284	E12-R287 IonicContact OE1-NH2 2.96Å; E12-R287 WeakPolarHBondContact OE2-CD 3.24Å; E12-R287 IonicContact OE2-CZ 3.62Å; E12-R287 IonicContact OE2-NE 2.67Å; E12-R287 PolarHBondContact OE2-NE 3.28Å; E12-R287 IonicContact OE2-NH2 3.75Å; D14-R287 IonicContact OD1-CZ 3.14Å; D14-R287 IonicContact OD1-NH1 2.65Å; D14-R287 PolarHBondContact OD1-NH1 2.98Å; D14-R287 IonicContact OD1-NH2 3.75Å; D14-R287 IonicContact OD2-CZ 3.4Å; D14-R287 IonicContact OD2-NH1 3.49Å; D14-R287 IonicContact OD2-NH2 2.65Å; D14-R287 PolarHBondContact OD2-NH2 2.84Å; E283-R287 WeakPolarHBondContact O-CB 3.4Å; E283-R287 VanDerWaalsContact O-CG 3.3Å; E283-R287 WeakPolarHBondContact O-CG 3.48Å; E283-R287 PolarHBondContact O-N 3.49Å; E283-R287 IonicContact OE2-NH1 3.41Å; E283-R287 PolarHBondContact OE2-NH1 2.67Å; E283-R287 IonicContact OE2-NH2 2.93Å; N284-R287 PolarHBondContact O-N 3.33Å; N284-R287 PolarHBondContact OD1-NH1 2.75Å
288	K	91.9	Very high	95.4	Very high	77 Å²	77	85.1 Å²	85.1	34%	0.335	39%	0.391	S	S	.	.	H	α-helix	trans	-89.8	-7.7	-176.8	-59.2	-174.6	-176.5	-173.5	0	113.4	S142 F143 N284 I285 R286	S142-K288 VanDerWaalsContact O-CD 3.26Å; S142-K288 WeakPolarHBondContact O-CD 3.46Å; S142-K288 WeakPolarHBondContact O-CE 3.19Å; S142-K288 VanDerWaalsContact O-CG 3.26Å; S142-K288 WeakPolarHBondContact O-CG 3.29Å; S142-K288 PolarHBondContact OG-NZ 3.36Å; F143-K288 HydrophobicContact CD1-CG 4.44Å; F143-K288 VanDerWaalsContact CE2-NZ 3.33Å; N284-K288 WeakPolarHBondContact O-CB 3.26Å; N284-K288 VanDerWaalsContact O-CG 3.29Å; N284-K288 WeakPolarHBondContact O-CG 3.27Å; N284-K288 PolarHBondContact O-N 3.05Å; I285-K288 PolarHBondContact O-N 2.96Å; R286-K288 VanDerWaalsContact C-N 3.33Å; R286-K288 PolarHBondContact O-N 3.43Å
289	H	92.4	Very high	95.3	Very high	104 Å²	104	83.8 Å²	83.8	48%	0.481	39%	0.388	S	S	.	.			trans	-73.6	130.6	-176.8	-167.4	72.3	0	0	0	111.5	I285 R286 Y291	I285-H289 VanDerWaalsContact O-CB 3.29Å; I285-H289 WeakPolarHBondContact O-CB 3.35Å; I285-H289 PolarHBondContact O-N 2.84Å; R286-H289 PolarHBondContact O-N 3.19Å; H289-Y291 HydrophobicContact CB-CD2 4.36Å; H289-Y291 HydrophobicContact CB-CE2 3.9Å; H289-Y291 AromaticContact CD2-CD1 3.94Å; H289-Y291 AromaticContact CD2-CD2 3.95Å; H289-Y291 AromaticContact CD2-CE1 3.91Å; H289-Y291 AromaticContact CD2-CE2 3.91Å; H289-Y291 AromaticContact CD2-CG 3.97Å; H289-Y291 AromaticContact CD2-CZ 3.89Å; H289-Y291 WeakPolarHBondContact O-CD2 3.36Å; H289-Y291 PolarHBondContact O-N 2.93Å
290	N	90.2	Very high	95.2	Very high	53 Å²	53	82 Å²	82	28%	0.283	38%	0.384	S	S	.	.			trans	-81.8	106.8	170.1	179.8	9	0	0	0	109.8	Q146 L292 P293	Q146-N290 HydrophobicContact CG-CB 4.44Å; Q146-N290 PolarHBondContact OE1-ND2 3.28Å; N290-L292 VanDerWaalsContact C-N 3.32Å; N290-L292 WeakPolarHBondContact OD1-CB 3.16Å; N290-L292 PolarHBondContact OD1-N 3.39Å; N290-P293 WeakPolarHBondContact O-CD 3.35Å
291	Y	92.8	Very high	95.2	Very high	103 Å²	103	83.9 Å²	83.9	40%	0.404	40%	0.398	S	S	.	.			trans	-80.6	-6.3	177.7	-73.3	-89.2	0	0	0	114.1	H289 F294 I295	H289-Y291 HydrophobicContact CB-CD2 4.36Å; H289-Y291 HydrophobicContact CB-CE2 3.9Å; H289-Y291 AromaticContact CD2-CD1 3.94Å; H289-Y291 AromaticContact CD2-CD2 3.95Å; H289-Y291 AromaticContact CD2-CE1 3.91Å; H289-Y291 AromaticContact CD2-CE2 3.91Å; H289-Y291 AromaticContact CD2-CG 3.97Å; H289-Y291 AromaticContact CD2-CZ 3.89Å; H289-Y291 WeakPolarHBondContact O-CD2 3.36Å; H289-Y291 PolarHBondContact O-N 2.93Å; Y291-F294 HydrophobicContact CD1-CD1 4.42Å; Y291-F294 WeakPolarHBondContact O-CB 3.37Å; Y291-F294 PolarHBondContact O-N 3.21Å; Y291-F294 VanDerWaalsContact O-N 3.15Å; Y291-I295 WeakPolarHBondContact O-CG1 3.29Å; Y291-I295 PolarHBondContact O-N 3.42Å
292	L	91.2	Very high	95.3	Very high	55 Å²	55	78.2 Å²	78.2	29%	0.288	37%	0.374	S	S	.	.	H	α-helix	trans	-58	-46.7	-178.4	-178.4	66.2	0	0	0	113	N290 F294 I295 M296	N290-L292 VanDerWaalsContact C-N 3.32Å; N290-L292 WeakPolarHBondContact OD1-CB 3.16Å; N290-L292 PolarHBondContact OD1-N 3.39Å; L292-F294 VanDerWaalsContact C-N 3.28Å; L292-F294 PolarHBondContact O-N 3.15Å; L292-I295 PolarHBondContact O-N 3.3Å; L292-M296 HydrophobicContact CD1-CG 4.2Å; L292-M296 HydrophobicContact CG-CG 4.38Å; L292-M296 VanDerWaalsContact O-CG 3.32Å; L292-M296 WeakPolarHBondContact O-CG 3.29Å; L292-M296 PolarHBondContact O-N 3.41Å
293	P	93.8	Very high	95.2	Very high	81 Å²	81	76.7 Å²	76.7	53%	0.526	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-39.3	176.1	-23.9	35.5	0	0	0	112.7	N290 M296 E297	N290-P293 WeakPolarHBondContact O-CD 3.35Å; P293-M296 PolarHBondContact O-N 3.18Å; P293-E297 PolarHBondContact O-N 3.14Å
294	F	95.9	Very high	95.2	Very high	125 Å²	125	80.4 Å²	80.4	55%	0.548	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-45.6	176	168.5	-99.8	0	0	0	111.7	Y291 L292 M296 E297 L298	Y291-F294 HydrophobicContact CD1-CD1 4.42Å; Y291-F294 WeakPolarHBondContact O-CB 3.37Å; Y291-F294 PolarHBondContact O-N 3.21Å; Y291-F294 VanDerWaalsContact O-N 3.15Å; L292-F294 VanDerWaalsContact C-N 3.28Å; L292-F294 PolarHBondContact O-N 3.15Å; F294-M296 PolarHBondContact O-N 3.33Å; F294-E297 PolarHBondContact O-N 2.91Å; F294-L298 HydrophobicContact CE1-CD2 4.33Å; F294-L298 HydrophobicContact CZ-CD2 4.45Å; F294-L298 VanDerWaalsContact O-CB 3.29Å; F294-L298 WeakPolarHBondContact O-CB 3.32Å; F294-L298 PolarHBondContact O-N 3.36Å
295	I	94.9	Very high	95.3	Very high	49 Å²	49	85.6 Å²	85.6	25%	0.251	42%	0.415	S	S	.	.	H	α-helix	trans	-62.5	-43.8	178.4	-67.5	165.1	0	0	0	110.7	M148 Y291 L292 L298 L299	M148-I295 HydrophobicContact CE-CD1 3.32Å; M148-I295 HydrophobicContact SD-CD1 3.59Å; M148-I295 VanDerWaalsContact SD-CD1 3.59Å; Y291-I295 WeakPolarHBondContact O-CG1 3.29Å; Y291-I295 PolarHBondContact O-N 3.42Å; L292-I295 PolarHBondContact O-N 3.3Å; I295-L298 PolarHBondContact O-N 2.9Å; I295-L299 HydrophobicContact CG2-CD1 3.97Å; I295-L299 HydrophobicContact CG2-CG 4.38Å; I295-L299 WeakPolarHBondContact O-CB 3.41Å; I295-L299 VanDerWaalsContact O-CG 3.29Å; I295-L299 WeakPolarHBondContact O-CG 3.36Å; I295-L299 PolarHBondContact O-N 3.41Å
296	M	94.5	Very high	95.3	Very high	112 Å²	112	88.6 Å²	88.6	55%	0.552	43%	0.427	S	S	*	.	H	α-helix	trans	-62.7	-44.5	178.9	-68.8	-57.5	-65.9	0	0	111.9	L292 P293 F294 L299 K300	L292-M296 HydrophobicContact CD1-CG 4.2Å; L292-M296 HydrophobicContact CG-CG 4.38Å; L292-M296 VanDerWaalsContact O-CG 3.32Å; L292-M296 WeakPolarHBondContact O-CG 3.29Å; L292-M296 PolarHBondContact O-N 3.41Å; P293-M296 PolarHBondContact O-N 3.18Å; F294-M296 PolarHBondContact O-N 3.33Å; M296-L299 PolarHBondContact O-N 3.49Å; M296-K300 WeakPolarHBondContact O-CB 3.43Å; M296-K300 PolarHBondContact O-N 3.04Å
297	E	97.5	Very high	95.4	Very high	96 Å²	96	86 Å²	86	45%	0.449	42%	0.422	S	S	.	.	H	α-helix	trans	-70.1	-34.9	178.6	-161.7	62.6	-152.8	0	0	112.1	P293 F294 K300 T301	P293-E297 PolarHBondContact O-N 3.14Å; F294-E297 PolarHBondContact O-N 2.91Å; E297-K300 PolarHBondContact O-N 3.46Å; E297-K300 IonicContact OE1-NZ 2.85Å; E297-K300 PolarHBondContact OE1-NZ 3.44Å; E297-K300 IonicContact OE2-NZ 3.53Å; E297-T301 WeakPolarHBondContact O-CB 3.49Å; E297-T301 PolarHBondContact O-N 3.38Å; E297-T301 PolarHBondContact O-OG1 2.93Å
298	L	97	Very high	95.5	Very high	78 Å²	78	85.9 Å²	85.9	41%	0.408	43%	0.425	S	S	.	.	H	α-helix	trans	-60.4	-51	172.5	174.2	63.4	0	0	0	111	F294 I295 K300 T301 L302	F294-L298 HydrophobicContact CE1-CD2 4.33Å; F294-L298 HydrophobicContact CZ-CD2 4.45Å; F294-L298 VanDerWaalsContact O-CB 3.29Å; F294-L298 WeakPolarHBondContact O-CB 3.32Å; F294-L298 PolarHBondContact O-N 3.36Å; I295-L298 PolarHBondContact O-N 2.9Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 2.93Å; L298-T301 PolarHBondContact O-N 3.15Å; L298-L302 HydrophobicContact CD1-CD1 4.09Å; L298-L302 HydrophobicContact CD1-CG 4.2Å; L298-L302 HydrophobicContact CG-CD1 4.08Å; L298-L302 WeakPolarHBondContact O-CB 3.24Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.42Å; L298-L302 PolarHBondContact O-N 2.97Å
299	L	96.8	Very high	95.7	Very high	75 Å²	75	87.9 Å²	87.9	39%	0.393	44%	0.438	S	S	.	.	H	α-helix	trans	-61.5	-41.6	179.3	-71	173.6	0	0	0	111.5	I295 M296 L302 A303 L308	I295-L299 HydrophobicContact CG2-CD1 3.97Å; I295-L299 HydrophobicContact CG2-CG 4.38Å; I295-L299 WeakPolarHBondContact O-CB 3.41Å; I295-L299 VanDerWaalsContact O-CG 3.29Å; I295-L299 WeakPolarHBondContact O-CG 3.36Å; I295-L299 PolarHBondContact O-N 3.41Å; M296-L299 PolarHBondContact O-N 3.49Å; L299-L302 PolarHBondContact O-N 3.15Å; L299-A303 WeakPolarHBondContact O-CB 3.47Å; L299-A303 PolarHBondContact O-N 3.25Å; L299-L308 HydrophobicContact CD2-CD1 3.92Å
300	K	97.5	Very high	95.9	Very high	97 Å²	97	86 Å²	86	42%	0.422	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-48.8	175	178.3	-179.3	157.9	-140	0	111.6	M296 E297 L298 L302 A303 E304	M296-K300 WeakPolarHBondContact O-CB 3.43Å; M296-K300 PolarHBondContact O-N 3.04Å; E297-K300 PolarHBondContact O-N 3.46Å; E297-K300 IonicContact OE1-NZ 2.85Å; E297-K300 PolarHBondContact OE1-NZ 3.44Å; E297-K300 IonicContact OE2-NZ 3.53Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 2.93Å; K300-L302 PolarHBondContact O-N 2.94Å; K300-A303 WeakPolarHBondContact O-CB 3.31Å; K300-A303 PolarHBondContact O-N 3.21Å; K300-A303 VanDerWaalsContact O-N 3.15Å; K300-E304 WeakPolarHBondContact CE-OE1 3.34Å; K300-E304 WeakPolarHBondContact O-CG 3.5Å; K300-E304 PolarHBondContact O-N 3Å
301	T	98.1	Very high	96.2	Very high	56 Å²	56	87.7 Å²	87.7	34%	0.344	44%	0.443	S	S	.	.	H	α-helix	trans	-61.4	-43.3	179	-56.3	0	0	0	0	111.5	E297 L298 A303 E304 H305	E297-T301 WeakPolarHBondContact O-CB 3.49Å; E297-T301 PolarHBondContact O-N 3.38Å; E297-T301 PolarHBondContact O-OG1 2.93Å; L298-T301 PolarHBondContact O-N 3.15Å; T301-A303 VanDerWaalsContact C-N 3.31Å; T301-A303 PolarHBondContact O-N 3.31Å; T301-E304 PolarHBondContact O-N 3.43Å; T301-H305 PolarHBondContact O-N 3.46Å; T301-H305 VanDerWaalsContact O-N 3.09Å; T301-H305 PolarHBondContact O-ND1 3.28Å
302	L	97.9	Very high	96.4	Very high	29 Å²	29	86.4 Å²	86.4	15%	0.152	45%	0.446	C	S	.	.	H	α-helix	trans	-63	-37.7	176.5	-71.7	172.3	0	0	0	111.9	L298 L299 K300 Q306 Q307 L308 L311	L298-L302 HydrophobicContact CD1-CD1 4.09Å; L298-L302 HydrophobicContact CD1-CG 4.2Å; L298-L302 HydrophobicContact CG-CD1 4.08Å; L298-L302 WeakPolarHBondContact O-CB 3.24Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.42Å; L298-L302 PolarHBondContact O-N 2.97Å; L299-L302 PolarHBondContact O-N 3.15Å; K300-L302 PolarHBondContact O-N 2.94Å; L302-Q306 PolarHBondContact O-N 2.88Å; L302-Q307 HydrophobicContact CD2-CB 3.87Å; L302-Q307 PolarHBondContact O-N 2.98Å; L302-L308 HydrophobicContact CB-CB 3.89Å; L302-L308 HydrophobicContact CB-CD1 4.17Å; L302-L308 HydrophobicContact CD1-CD1 4.23Å; L302-L308 PolarHBondContact O-N 2.85Å; L302-L311 HydrophobicContact CD1-CD1 4.21Å; L302-L311 HydrophobicContact CD2-CD1 3.83Å
303	A	97.1	Very high	96.6	Very high	54 Å²	54	90 Å²	90	45%	0.446	46%	0.461	S	S	.	.	H	α-helix	trans	-68.3	-46.4	176.8	0	0	0	0	0	111.6	L299 K300 T301 H305 Q306 L308	L299-A303 WeakPolarHBondContact O-CB 3.47Å; L299-A303 PolarHBondContact O-N 3.25Å; K300-A303 WeakPolarHBondContact O-CB 3.31Å; K300-A303 PolarHBondContact O-N 3.21Å; K300-A303 VanDerWaalsContact O-N 3.15Å; T301-A303 VanDerWaalsContact C-N 3.31Å; T301-A303 PolarHBondContact O-N 3.31Å; A303-H305 VanDerWaalsContact C-N 3.27Å; A303-H305 PolarHBondContact O-N 2.93Å; A303-Q306 PolarHBondContact O-N 3.44Å; A303-L308 HydrophobicContact CB-CB 4.45Å; A303-L308 HydrophobicContact CB-CD2 4.01Å
304	E	97.6	Very high	96.7	Very high	123 Å²	123	94.5 Å²	94.5	58%	0.575	47%	0.473	S	S	*	.	H	α-helix	trans	-59.7	-36.6	178.8	-73.6	173.7	177.6	0	0	112.4	K300 T301 Q306	K300-E304 WeakPolarHBondContact CE-OE1 3.34Å; K300-E304 WeakPolarHBondContact O-CG 3.5Å; K300-E304 PolarHBondContact O-N 3Å; T301-E304 PolarHBondContact O-N 3.43Å; E304-Q306 VanDerWaalsContact C-N 3.32Å; E304-Q306 PolarHBondContact O-N 3.46Å
305	H	97.8	Very high	96.7	Very high	119 Å²	119	91.9 Å²	91.9	55%	0.551	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	10.4	178.2	-64.7	85.1	0	0	0	113.9	T301 A303 Q307	T301-H305 PolarHBondContact O-N 3.46Å; T301-H305 VanDerWaalsContact O-N 3.09Å; T301-H305 PolarHBondContact O-ND1 3.28Å; A303-H305 VanDerWaalsContact C-N 3.27Å; A303-H305 PolarHBondContact O-N 2.93Å; H305-Q307 HydrophobicContact CB-CG 4.11Å; H305-Q307 PolarHBondContact O-N 2.79Å; H305-Q307 VanDerWaalsContact O-N 3.09Å
306	Q	96.7	Very high	96.4	Very high	166 Å²	166	100.2 Å²	100.2	78%	0.776	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	23.6	-178.2	-53.1	-178.3	24.6	0	0	114.2	L302 A303 E304 P310	L302-Q306 PolarHBondContact O-N 2.88Å; A303-Q306 PolarHBondContact O-N 3.44Å; E304-Q306 VanDerWaalsContact C-N 3.32Å; E304-Q306 PolarHBondContact O-N 3.46Å; Q306-P310 WeakPolarHBondContact O-CD 3.39Å
307	Q	97.5	Very high	96.5	Very high	105 Å²	105	99.7 Å²	99.7	49%	0.491	51%	0.514	S	S	.	.			trans	-90.6	-22.2	179	-66.1	-178.4	-16.8	0	0	112.3	L302 H305 P310 L311	L302-Q307 HydrophobicContact CD2-CB 3.87Å; L302-Q307 PolarHBondContact O-N 2.98Å; H305-Q307 HydrophobicContact CB-CG 4.11Å; H305-Q307 PolarHBondContact O-N 2.79Å; H305-Q307 VanDerWaalsContact O-N 3.09Å; Q307-P310 WeakPolarHBondContact O-CD 3.41Å; Q307-L311 WeakPolarHBondContact O-CD1 3.4Å; Q307-L311 VanDerWaalsContact O-CG 3.24Å; Q307-L311 WeakPolarHBondContact O-CG 3.5Å; Q307-L311 PolarHBondContact O-N 3.09Å
308	L	96.1	Very high	96.5	Very high	47 Å²	47	99.8 Å²	99.8	25%	0.246	52%	0.517	C	S	.	.	H	α-helix	trans	-64.4	-49	-174.7	-173.5	60.7	0	0	0	113	L299 L302 A303 L311 V312	L299-L308 HydrophobicContact CD2-CD1 3.92Å; L302-L308 HydrophobicContact CB-CB 3.89Å; L302-L308 HydrophobicContact CB-CD1 4.17Å; L302-L308 HydrophobicContact CD1-CD1 4.23Å; L302-L308 PolarHBondContact O-N 2.85Å; A303-L308 HydrophobicContact CB-CB 4.45Å; A303-L308 HydrophobicContact CB-CD2 4.01Å; L308-L311 PolarHBondContact O-N 2.85Å; L308-V312 HydrophobicContact CD1-CG2 4.26Å; L308-V312 HydrophobicContact CG-CG2 4.37Å; L308-V312 WeakPolarHBondContact O-CG2 3.14Å; L308-V312 PolarHBondContact O-N 3.35Å
309	I	96	Very high	96.4	Very high	119 Å²	119	101.1 Å²	101.1	61%	0.61	52%	0.523	S	S	*	.	H	α-helix	trans	-61	-49.9	-176.8	-61.8	167.5	0	0	0	111.3	L311 V312 E313	I309-L311 VanDerWaalsContact C-N 3.26Å; I309-L311 PolarHBondContact O-N 3.06Å; I309-V312 PolarHBondContact O-N 3.49Å; I309-V312 VanDerWaalsContact O-N 3.15Å; I309-E313 WeakPolarHBondContact O-CG 3.38Å; I309-E313 PolarHBondContact O-N 3.33Å
310	P	96.8	Very high	96.4	Very high	64 Å²	64	102.6 Å²	102.6	42%	0.416	53%	0.531	S	S	.	.	H	α-helix	trans	-57.5	-35.9	175.6	-26	33.4	0	0	0	114	Q306 Q307 K314	Q306-P310 WeakPolarHBondContact O-CD 3.39Å; Q307-P310 WeakPolarHBondContact O-CD 3.41Å; P310-K314 WeakPolarHBondContact O-CG 3.48Å; P310-K314 PolarHBondContact O-N 3.09Å; P310-K314 VanDerWaalsContact O-N 3.15Å
311	L	97.2	Very high	96.3	Very high	89 Å²	89	102.9 Å²	102.9	47%	0.466	54%	0.538	S	S	.	.	H	α-helix	trans	-71	-39.5	178	-70.7	170.8	0	0	0	111.9	L302 Q307 L308 I309 E313 K314 G315	L302-L311 HydrophobicContact CD1-CD1 4.21Å; L302-L311 HydrophobicContact CD2-CD1 3.83Å; Q307-L311 WeakPolarHBondContact O-CD1 3.4Å; Q307-L311 VanDerWaalsContact O-CG 3.24Å; Q307-L311 WeakPolarHBondContact O-CG 3.5Å; Q307-L311 PolarHBondContact O-N 3.09Å; L308-L311 PolarHBondContact O-N 2.85Å; I309-L311 VanDerWaalsContact C-N 3.26Å; I309-L311 PolarHBondContact O-N 3.06Å; L311-E313 VanDerWaalsContact C-N 3.35Å; L311-K314 PolarHBondContact O-N 2.91Å; L311-G315 PolarHBondContact O-N 3.41Å; L311-G315 VanDerWaalsContact O-N 3.14Å
312	V	96.3	Very high	96.2	Very high	76 Å²	76	106.1 Å²	106.1	46%	0.461	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-40.9	175.2	171	0	0	0	0	111	L308 I309 G315 K316	L308-V312 HydrophobicContact CD1-CG2 4.26Å; L308-V312 HydrophobicContact CG-CG2 4.37Å; L308-V312 WeakPolarHBondContact O-CG2 3.14Å; L308-V312 PolarHBondContact O-N 3.35Å; I309-V312 PolarHBondContact O-N 3.49Å; I309-V312 VanDerWaalsContact O-N 3.15Å; V312-G315 PolarHBondContact O-N 3.15Å; V312-K316 PolarHBondContact O-N 3.45Å
313	E	95.7	Very high	96.1	Very high	130 Å²	130	111.6 Å²	111.6	61%	0.607	58%	0.579	S	S	*	*	H	α-helix	trans	-64	-38.9	176.5	-72.2	178.7	166.4	0	0	112.6	I309 L311 G315 K316	I309-E313 WeakPolarHBondContact O-CG 3.38Å; I309-E313 PolarHBondContact O-N 3.33Å; L311-E313 VanDerWaalsContact C-N 3.35Å; E313-G315 VanDerWaalsContact C-N 3.26Å; E313-G315 PolarHBondContact O-N 2.98Å; E313-K316 PolarHBondContact O-N 2.84Å
314	K	96.2	Very high	96	Very high	175 Å²	175	116 Å²	116	76%	0.761	59%	0.59	S	S	*	*	H	α-helix	trans	-66.6	-26.2	173.5	-77.3	-178.6	179.3	-179.2	0	113.8	P310 L311	P310-K314 WeakPolarHBondContact O-CG 3.48Å; P310-K314 PolarHBondContact O-N 3.09Å; P310-K314 VanDerWaalsContact O-N 3.15Å; L311-K314 PolarHBondContact O-N 2.91Å
315	G	94.5	Very high	95.9	Very high	71 Å²	71	115.4 Å²	115.4	73%	0.732	59%	0.591	S	S	*	*	H	α-helix	trans	-83.2	-14.8	-179.8	0	0	0	0	0	114.1	L311 V312 E313	L311-G315 PolarHBondContact O-N 3.41Å; L311-G315 VanDerWaalsContact O-N 3.14Å; V312-G315 PolarHBondContact O-N 3.15Å; E313-G315 VanDerWaalsContact C-N 3.26Å; E313-G315 PolarHBondContact O-N 2.98Å
316	K	89.9	Confident	95.7	Very high	224 Å²	224	115.1 Å²	115.1	97%	0.974	59%	0.594	S	S	*	*			trans	-82.4	0	173.4	-72.8	-179.1	177.5	178.9	0	110.9	V312 E313	V312-K316 PolarHBondContact O-N 3.45Å; E313-K316 PolarHBondContact O-N 2.84Å

Retrieved 316 of 316 residues in 87.8 ms (Link to these results)

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