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Dihydrofolate reductase

Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.

AlphaFold DB , UniProt , Accession G4VJD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene DHFR, Length 186 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	91.8	Very high	97.2	Very high	79 Å²	79	27.7 Å²	27.7	39%	0.389	13%	0.131	S	C	.	.				0	147.2	0	-174	179.1	-73.1	0	0	109.1	I93 L96 Y97 V108 Y126	M1-I93 HydrophobicContact SD-CG2 3.96Å; M1-L96 HydrophobicContact CE-CB 4.09Å; M1-Y97 WeakPolarHBondContact CB-OH 3.4Å; M1-Y97 HydrophobicContact CE-CD2 4.16Å; M1-Y97 HydrophobicContact CE-CE1 4.22Å; M1-Y97 HydrophobicContact CE-CE2 3.69Å; M1-Y97 HydrophobicContact SD-CE2 4.11Å; M1-V108 HydrophobicContact CE-CG2 3.95Å; M1-V108 HydrophobicContact CG-CG2 3.94Å; M1-V108 HydrophobicContact SD-CG2 3.71Å; M1-Y126 HydrophobicContact CB-CD1 4.13Å; M1-Y126 HydrophobicContact CB-CE1 4.21Å
2	R	95.9	Very high	97.2	Very high	74 Å²	74	29.4 Å²	29.4	28%	0.279	14%	0.142	S	C	.	.			trans	-125.5	145.4	171.6	173.8	173.4	62.4	-128	-6.9	107.7	N4 E107 P127 R129	R2-N4 PolarHBondContact NE-OD1 3.12Å; R2-E107 IonicContact CZ-OE1 2.83Å; R2-E107 IonicContact NH2-OE1 3.98Å; R2-E107 PolarHBondContact NH2-OE1 2.86Å; R2-P127 HydrophobicContact CB-CG 4.04Å; R2-P127 HydrophobicContact CG-CB 4.45Å; R2-P127 HydrophobicContact CG-CG 4.21Å; R2-P127 WeakPolarHBondContact CG-O 3.31Å; R2-R129 HydrophobicContact CG-CB 4.45Å
3	L	98	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.3	171.7	-57.4	-175	0	0	0	109.2	L89 I93 V108 I110 A120 Q123 Y126 P127 V128 R129	L3-L89 HydrophobicContact CD1-CD2 4.33Å; L3-I93 HydrophobicContact CD1-CD1 4.45Å; L3-I93 HydrophobicContact CD2-CD1 4.13Å; L3-I93 HydrophobicContact CD2-CG1 4.43Å; L3-V108 HydrophobicContact CD2-CG1 4.35Å; L3-I110 HydrophobicContact CB-CG1 4.43Å; L3-A120 HydrophobicContact CD1-CB 4.16Å; L3-Q123 HydrophobicContact CD1-CG 4.12Å; L3-Y126 HydrophobicContact CG-CG 4.49Å; L3-P127 PolarHBondContact N-O 3.16Å; L3-V128 HydrophobicContact CB-CG2 4.49Å; L3-V128 WeakPolarHBondContact O-CA 3.31Å; L3-R129 PolarHBondContact O-N 2.83Å
4	N	98.5	Very high	97.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	102.5	177.6	-60.1	-63.8	0	0	0	109.5	R2 E107 V108 F109 I110 R129 Y131	R2-N4 PolarHBondContact NE-OD1 3.12Å; N4-E107 PolarHBondContact ND2-OE1 3.05Å; N4-V108 WeakPolarHBondContact CB-O 3.36Å; N4-V108 PolarHBondContact N-O 2.84Å; N4-V108 PolarHBondContact ND2-O 3.25Å; N4-F109 HydrophobicContact CB-CD1 3.36Å; N4-F109 HydrophobicContact CB-CE1 3.49Å; N4-F109 VanDerWaalsContact CB-CE1 3.49Å; N4-F109 HydrophobicContact CB-CG 4.11Å; N4-F109 HydrophobicContact CB-CZ 4.3Å; N4-F109 CarbonylContact O-C 3.47Å; N4-F109 WeakPolarHBondContact O-CA 3.39Å; N4-I110 PolarHBondContact O-N 2.79Å; N4-R129 CarbonylContact C-O 3.54Å; N4-R129 WeakPolarHBondContact CA-O 3.35Å; N4-Y131 HydrophobicContact CB-CD2 4.27Å; N4-Y131 HydrophobicContact CB-CE2 3.95Å
5	V	98.5	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129	172.7	174	0	0	0	0	109	V7 I110 Y117 A120 V128 R129 I130 Y131 F145	V5-V7 HydrophobicContact CG1-CB 4.41Å; V5-V7 HydrophobicContact CG1-CG1 4.34Å; V5-I110 WeakPolarHBondContact CA-O 3.37Å; V5-I110 HydrophobicContact CG2-CB 4.28Å; V5-Y117 HydrophobicContact CG1-CD1 3.66Å; V5-Y117 HydrophobicContact CG1-CE1 3.71Å; V5-A120 HydrophobicContact CG2-CB 4.33Å; V5-V128 HydrophobicContact CG2-CG1 4.05Å; V5-R129 PolarHBondContact N-O 2.87Å; V5-I130 HydrophobicContact CB-CG1 4.29Å; V5-I130 HydrophobicContact CB-CG2 4.44Å; V5-I130 HydrophobicContact CG1-CG2 4.27Å; V5-I130 CarbonylContact O-C 3.57Å; V5-I130 WeakPolarHBondContact O-CA 3.41Å; V5-Y131 PolarHBondContact O-N 2.71Å; V5-F145 HydrophobicContact CG1-CE2 4.18Å; V5-F145 HydrophobicContact CG1-CZ 4.19Å
6	V	98.4	Very high	97	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.055	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.7	172.5	-168.5	0	0	0	0	108.7	F32 V35 T36 F109 I110 Y117 Y131	V6-F32 HydrophobicContact CB-CD2 4.4Å; V6-F32 HydrophobicContact CG1-CD2 3.85Å; V6-V35 HydrophobicContact CG2-CG1 4.21Å; V6-T36 HydrophobicContact CG2-CG2 4.04Å; V6-F109 HydrophobicContact CG2-CB 4.38Å; V6-F109 HydrophobicContact CG2-CD1 3.47Å; V6-F109 VanDerWaalsContact CG2-CD1 3.47Å; V6-F109 HydrophobicContact CG2-CE1 4.22Å; V6-F109 HydrophobicContact CG2-CG 4.33Å; V6-I110 PolarHBondContact N-O 3.46Å; V6-Y117 PolarHBondContact O-OH 3.02Å; V6-Y131 WeakPolarHBondContact CA-O 3.43Å
7	V	98.1	Very high	97	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145.4	-173.1	66.3	0	0	0	0	111.8	V5 V9 I15 Y117 I130 Y131 C132 T133 F145	V5-V7 HydrophobicContact CG1-CB 4.41Å; V5-V7 HydrophobicContact CG1-CG1 4.34Å; V7-V9 HydrophobicContact CG1-CG1 4.17Å; V7-V9 HydrophobicContact CG2-CG1 3.83Å; V7-I15 HydrophobicContact CG2-CG2 3.76Å; V7-Y117 HydrophobicContact CB-CE2 4.42Å; V7-Y117 HydrophobicContact CG2-CE2 3.91Å; V7-I130 HydrophobicContact CG1-CG2 3.95Å; V7-Y131 PolarHBondContact N-O 2.88Å; V7-C132 CarbonylContact O-C 3.59Å; V7-C132 VanDerWaalsContact O-CA 3.3Å; V7-C132 WeakPolarHBondContact O-CA 3.46Å; V7-T133 PolarHBondContact O-N 3.34Å; V7-F145 HydrophobicContact CB-CD2 4.41Å; V7-F145 HydrophobicContact CB-CE2 4.03Å; V7-F145 HydrophobicContact CG1-CD2 4.34Å; V7-F145 HydrophobicContact CG1-CE2 3.82Å; V7-F145 HydrophobicContact CG1-CZ 4.05Å; V7-F145 HydrophobicContact CG2-CD2 3.73Å; V7-F145 HydrophobicContact CG2-CE2 3.85Å
8	A	97.9	Very high	96.8	Very high	10 Å²	10	36.2 Å²	36.2	8%	0.083	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.9	163.3	0	0	0	0	0	108.9	W23 T133 I135	A8-W23 HydrophobicContact CB-CZ2 3.79Å; A8-T133 CarbonylContact C-O 3.6Å; A8-T133 VanDerWaalsContact CA-O 3.32Å; A8-T133 WeakPolarHBondContact CA-O 3.34Å; A8-T133 HydrophobicContact CB-CG2 4.46Å; A8-I135 HydrophobicContact CB-CD1 4.38Å
9	V	97.8	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.3	-178	-58.5	0	0	0	0	110.2	V7 W13 G14 I15 C132 T133 I135 F145	V7-V9 HydrophobicContact CG1-CG1 4.17Å; V7-V9 HydrophobicContact CG2-CG1 3.83Å; V9-W13 HydrophobicContact CB-CE3 4.23Å; V9-W13 HydrophobicContact CG2-CE3 4.05Å; V9-W13 HydrophobicContact CG2-CZ3 3.97Å; V9-G14 WeakPolarHBondContact CA-O 3.47Å; V9-I15 HydrophobicContact CG1-CG2 3.79Å; V9-C132 VanDerWaalsContact CG2-SG 3.6Å; V9-T133 PolarHBondContact N-O 3.01Å; V9-I135 PolarHBondContact O-N 2.95Å; V9-F145 HydrophobicContact CG1-CB 4.02Å; V9-F145 HydrophobicContact CG1-CD2 4.46Å; V9-F145 HydrophobicContact CG1-CG 4.11Å
10	S	97.8	Very high	96.2	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	20%	0.202	C	C	.	.			trans	-74.1	170.9	166.8	60.8	0	0	0	0	111.7	N12 W13 G14 I135 S137	S10-N12 VanDerWaalsContact CB-OD1 3.31Å; S10-N12 WeakPolarHBondContact CB-OD1 3.31Å; S10-N12 PolarHBondContact O-N 3.25Å; S10-N12 PolarHBondContact OG-OD1 2.77Å; S10-W13 WeakPolarHBondContact O-CA 3.08Å; S10-W13 PolarHBondContact O-N 2.87Å; S10-G14 PolarHBondContact N-O 2.87Å; S10-G14 VanDerWaalsContact OG-CA 3.27Å; S10-G14 WeakPolarHBondContact OG-CA 3.36Å; S10-G14 PolarHBondContact OG-N 2.96Å; S10-G14 PolarHBondContact OG-O 3.41Å; S10-I135 CarbonylContact C-O 3.59Å; S10-S137 WeakPolarHBondContact CB-O 2.99Å
11	E	96.7	Very high	96	Very high	122 Å²	122	38.1 Å²	38.1	57%	0.57	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-32.2	-179.1	-171.5	162	-161.1	0	0	112.3	W13 I135 S137 E138	E11-W13 VanDerWaalsContact C-N 3.26Å; E11-W13 PolarHBondContact O-N 3.3Å; E11-I135 PolarHBondContact N-O 2.93Å; E11-S137 PolarHBondContact N-O 3.2Å; E11-E138 HydrophobicContact CB-CG 4.4Å
12	N	96.7	Very high	96.1	Very high	48 Å²	48	36.3 Å²	36.3	26%	0.257	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	19.3	171.4	64.7	-35.9	0	0	0	113.9	S10 G14 V139 Y144	S10-N12 VanDerWaalsContact CB-OD1 3.31Å; S10-N12 WeakPolarHBondContact CB-OD1 3.31Å; S10-N12 PolarHBondContact O-N 3.25Å; S10-N12 PolarHBondContact OG-OD1 2.77Å; N12-G14 PolarHBondContact O-N 3.12Å; N12-V139 PolarHBondContact ND2-O 3.02Å; N12-V139 PolarHBondContact OD1-N 3.18Å; N12-V139 VanDerWaalsContact OD1-N 3.17Å; N12-V139 PolarHBondContact OD1-O 3.21Å; N12-Y144 WeakPolarHBondContact O-CD1 3.13Å
13	W	96.7	Very high	96.1	Very high	103 Å²	103	33.3 Å²	33.3	39%	0.39	20%	0.197	S	C	.	.			trans	61.8	18.9	178.6	-53.5	104.2	0	0	0	115.8	V9 S10 E11 Y144 F145 W150	V9-W13 HydrophobicContact CB-CE3 4.23Å; V9-W13 HydrophobicContact CG2-CE3 4.05Å; V9-W13 HydrophobicContact CG2-CZ3 3.97Å; S10-W13 WeakPolarHBondContact O-CA 3.08Å; S10-W13 PolarHBondContact O-N 2.87Å; E11-W13 VanDerWaalsContact C-N 3.26Å; E11-W13 PolarHBondContact O-N 3.3Å; W13-Y144 CarbonylContact O-C 3.57Å; W13-Y144 VanDerWaalsContact O-CA 3.3Å; W13-Y144 WeakPolarHBondContact O-CA 3.41Å; W13-F145 PolarHBondContact O-N 3.31Å; W13-W150 AromaticContact CE3-CZ2 3.97Å; W13-W150 HydrophobicContact CE3-CZ2 3.97Å; W13-W150 AromaticContact CE3-NE1 3.86Å; W13-W150 AromaticContact CH2-CD1 3.49Å; W13-W150 VanDerWaalsContact CH2-CD1 3.49Å; W13-W150 AromaticContact CH2-CD2 3.74Å; W13-W150 HydrophobicContact CH2-CD2 3.74Å; W13-W150 AromaticContact CH2-CE2 3.37Å; W13-W150 AromaticContact CH2-CG 3.85Å; W13-W150 HydrophobicContact CH2-CG 3.85Å; W13-W150 AromaticContact CH2-CZ2 3.93Å; W13-W150 HydrophobicContact CH2-CZ2 3.93Å; W13-W150 AromaticContact CH2-NE1 3.17Å; W13-W150 AromaticContact CZ2-CD1 3.81Å; W13-W150 HydrophobicContact CZ2-CG 4.46Å; W13-W150 AromaticContact CZ2-NE1 3.72Å; W13-W150 AromaticContact CZ3-CD2 3.98Å; W13-W150 HydrophobicContact CZ3-CD2 3.98Å; W13-W150 AromaticContact CZ3-CE2 3.2Å; W13-W150 HydrophobicContact CZ3-CG 4.49Å; W13-W150 HydrophobicContact CZ3-CH2 4.05Å; W13-W150 AromaticContact CZ3-CZ2 3.26Å; W13-W150 HydrophobicContact CZ3-CZ2 3.26Å; W13-W150 AromaticContact CZ3-NE1 3.26Å; W13-W150 VanDerWaalsContact CZ3-NE1 3.26Å
14	G	97.5	Very high	95.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	143.9	173.8	0	0	0	0	0	111.5	V9 S10 N12 C141	V9-G14 WeakPolarHBondContact CA-O 3.47Å; S10-G14 PolarHBondContact N-O 2.87Å; S10-G14 VanDerWaalsContact OG-CA 3.27Å; S10-G14 WeakPolarHBondContact OG-CA 3.36Å; S10-G14 PolarHBondContact OG-N 2.96Å; S10-G14 PolarHBondContact OG-O 3.41Å; N12-G14 PolarHBondContact O-N 3.12Å; G14-C141 VanDerWaalsContact CA-SG 3.59Å
15	I	97	Very high	95.9	Very high	19 Å²	19	42 Å²	42	10%	0.097	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	-6.8	179.9	59.7	165.2	0	0	0	113.2	V7 V9 Y117 T143 F145	V7-I15 HydrophobicContact CG2-CG2 3.76Å; V9-I15 HydrophobicContact CG1-CG2 3.79Å; I15-Y117 HydrophobicContact CD1-CD2 3.9Å; I15-Y117 HydrophobicContact CD1-CE2 3.84Å; I15-T143 HydrophobicContact CD1-CG2 3.93Å; I15-T143 HydrophobicContact CG1-CG2 3.81Å; I15-T143 WeakPolarHBondContact CG1-O 3.17Å; I15-T143 PolarHBondContact N-O 3.38Å; I15-F145 HydrophobicContact CG2-CB 3.78Å; I15-F145 HydrophobicContact CG2-CD2 4.25Å; I15-F145 HydrophobicContact CG2-CG 4.45Å
16	G	95.4	Very high	95.8	Very high	6 Å²	6	48.5 Å²	48.5	6%	0.062	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	153.3	-172.5	0	0	0	0	0	113.3	G20 C141 D142 T143	G16-G20 CarbonylContact C-O 3.57Å; G16-G20 VanDerWaalsContact CA-O 3.23Å; G16-G20 WeakPolarHBondContact CA-O 3.29Å; G16-C141 WeakPolarHBondContact O-CA 3.2Å; G16-C141 WeakPolarHBondContact O-CB 3.37Å; G16-D142 PolarHBondContact O-N 2.82Å; G16-T143 PolarHBondContact N-O 2.7Å; G16-T143 PolarHBondContact O-N 2.76Å; G16-T143 VanDerWaalsContact O-N 3.17Å
17	K	96.2	Very high	95.8	Very high	99 Å²	99	51.8 Å²	51.8	43%	0.43	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-143.2	131	170.3	-168.9	-177.4	-175.1	174.3	0	109.6	G19 G20 P22 D140 D142	K17-G19 PolarHBondContact O-N 3.03Å; K17-G20 PolarHBondContact N-O 3.4Å; K17-G20 PolarHBondContact O-N 3.31Å; K17-G20 VanDerWaalsContact O-N 3.11Å; K17-P22 HydrophobicContact CB-CB 3.92Å; K17-P22 HydrophobicContact CB-CG 4.37Å; K17-D140 WeakPolarHBondContact CD-O 3.39Å; K17-D140 WeakPolarHBondContact CE-OD2 3.05Å; K17-D140 IonicContact NZ-OD2 3.54Å; K17-D140 PolarHBondContact NZ-OD2 3.17Å; K17-D142 WeakPolarHBondContact CA-OD1 3.26Å
18	G	93.5	Very high	95.7	Very high	71 Å²	71	51.9 Å²	51.9	73%	0.732	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	28.8	177.3	0	0	0	0	0	113.8	G20 D142	G18-G20 VanDerWaalsContact C-N 3.34Å; G18-G20 PolarHBondContact O-N 2.84Å; G18-D142 PolarHBondContact N-OD2 2.78Å
19	G	89.9	Confident	95.7	Very high	34 Å²	34	55.3 Å²	55.3	35%	0.351	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-0.7	-178.4	0	0	0	0	0	115.7	K17 S56	K17-G19 PolarHBondContact O-N 3.03Å; G19-S56 WeakPolarHBondContact O-CB 3.32Å
20	G	91.8	Very high	95.6	Very high	27 Å²	27	59.3 Å²	59.3	28%	0.278	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-126.4	-175.8	176.9	0	0	0	0	0	113.4	G16 K17 G18	G16-G20 CarbonylContact C-O 3.57Å; G16-G20 VanDerWaalsContact CA-O 3.23Å; G16-G20 WeakPolarHBondContact CA-O 3.29Å; K17-G20 PolarHBondContact N-O 3.4Å; K17-G20 PolarHBondContact O-N 3.31Å; K17-G20 VanDerWaalsContact O-N 3.11Å; G18-G20 VanDerWaalsContact C-N 3.34Å; G18-G20 PolarHBondContact O-N 2.84Å
21	L	92.9	Very high	95.6	Very high	88 Å²	88	59.9 Å²	59.9	46%	0.461	31%	0.314	S	S	.	.			trans	-77	132.4	172.8	-64.9	173.5	0	0	0	110.1	W23 M29	L21-W23 HydrophobicContact CD2-CZ2 4.22Å; L21-W23 PolarHBondContact O-N 3.25Å; L21-M29 HydrophobicContact CD1-CE 3.59Å; L21-M29 HydrophobicContact CD1-SD 4.3Å
22	P	93	Very high	95.6	Very high	41 Å²	41	55.9 Å²	55.9	27%	0.266	29%	0.294	S	S	.	.	S	Bend	trans	-80.3	-4	-179.5	24.5	-20.5	0	0	0	113.5	K17 V139	K17-P22 HydrophobicContact CB-CB 3.92Å; K17-P22 HydrophobicContact CB-CG 4.37Å; P22-V139 HydrophobicContact CB-CG1 3.84Å; P22-V139 HydrophobicContact CG-CG1 3.88Å
23	W	95.1	Very high	95.7	Very high	11 Å²	11	59.5 Å²	59.5	4%	0.042	31%	0.308	C	S	.	.	S	Bend	trans	-123.9	162.9	178.5	49	77.5	0	0	0	111.5	A8 L21 I25 I135 V139 F171	A8-W23 HydrophobicContact CB-CZ2 3.79Å; L21-W23 HydrophobicContact CD2-CZ2 4.22Å; L21-W23 PolarHBondContact O-N 3.25Å; W23-I25 HydrophobicContact CB-CD1 4.27Å; W23-I25 HydrophobicContact CB-CG1 4.23Å; W23-I25 HydrophobicContact CG-CD1 4.04Å; W23-I25 HydrophobicContact CG-CG1 4.29Å; W23-I135 HydrophobicContact CD2-CD1 3.27Å; W23-I135 HydrophobicContact CE3-CD1 3.61Å; W23-I135 HydrophobicContact CG-CD1 3.83Å; W23-I135 HydrophobicContact CH2-CD1 3.76Å; W23-I135 HydrophobicContact CZ2-CD1 3.42Å; W23-I135 VanDerWaalsContact CZ2-CD1 3.42Å; W23-I135 HydrophobicContact CZ3-CD1 3.84Å; W23-V139 HydrophobicContact CE3-CB 4.36Å; W23-V139 HydrophobicContact CE3-CG1 4.09Å; W23-V139 HydrophobicContact CE3-CG2 4.09Å; W23-V139 HydrophobicContact CZ3-CB 4.23Å; W23-V139 HydrophobicContact CZ3-CG1 4.26Å; W23-V139 HydrophobicContact CZ3-CG2 4.22Å; W23-F171 HydrophobicContact CB-CD2 4.05Å; W23-F171 HydrophobicContact CB-CE1 4.3Å; W23-F171 HydrophobicContact CB-CE2 3.66Å; W23-F171 HydrophobicContact CB-CZ 3.8Å
24	K	94.9	Very high	95.7	Very high	177 Å²	177	58.5 Å²	58.5	77%	0.77	31%	0.313	S	S	*	.			trans	-122.5	98.2	171.8	-67.3	-179.3	-178.9	177.6	0	108.4	N169	K24-N169 PolarHBondContact O-ND2 3.39Å
25	I	97.5	Very high	95.7	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	32%	0.318	C	S	.	.			trans	-124.7	102	-179.5	-56.7	174.5	0	0	0	107.2	W23 K27 D28 M29 I135 E168 F171 F173	W23-I25 HydrophobicContact CB-CD1 4.27Å; W23-I25 HydrophobicContact CB-CG1 4.23Å; W23-I25 HydrophobicContact CG-CD1 4.04Å; W23-I25 HydrophobicContact CG-CG1 4.29Å; I25-K27 VanDerWaalsContact C-N 3.31Å; I25-K27 HydrophobicContact CG2-CB 4.34Å; I25-K27 PolarHBondContact O-N 3.05Å; I25-D28 HydrophobicContact CB-CB 3.87Å; I25-D28 HydrophobicContact CG2-CB 3.68Å; I25-D28 PolarHBondContact O-N 3.36Å; I25-M29 PolarHBondContact O-N 3.07Å; I25-I135 HydrophobicContact CD1-CD1 3.79Å; I25-I135 HydrophobicContact CD1-CG1 4.03Å; I25-E168 HydrophobicContact CG2-CB 4.31Å; I25-E168 WeakPolarHBondContact CG2-OE2 3.27Å; I25-F171 HydrophobicContact CD1-CB 3.77Å; I25-F171 HydrophobicContact CD1-CD2 4.31Å; I25-F171 HydrophobicContact CD1-CG 4.12Å; I25-F171 HydrophobicContact CG1-CB 4.32Å; I25-F171 HydrophobicContact CG1-CD2 4.22Å; I25-F173 HydrophobicContact CD1-CD1 4.03Å; I25-F173 HydrophobicContact CD1-CE1 4.38Å; I25-F173 HydrophobicContact CG2-CD1 4.01Å; I25-F173 HydrophobicContact CG2-CE1 3.4Å; I25-F173 VanDerWaalsContact CG2-CE1 3.4Å; I25-F173 HydrophobicContact CG2-CE2 3.95Å; I25-F173 HydrophobicContact CG2-CZ 3.37Å
26	K	97.1	Very high	95.7	Very high	137 Å²	137	58.4 Å²	58.4	60%	0.596	31%	0.313	S	S	*	.	H	α-helix	trans	-62.2	-40.3	-179.4	-173.5	-172.8	177.6	-158.2	0	111	D28 M29 E30 E168	K26-D28 VanDerWaalsContact C-N 3.29Å; K26-D28 PolarHBondContact O-N 2.85Å; K26-M29 WeakPolarHBondContact O-CB 3.34Å; K26-M29 PolarHBondContact O-N 3.11Å; K26-M29 VanDerWaalsContact O-N 3.14Å; K26-E30 WeakPolarHBondContact CE-OE1 3.36Å; K26-E30 IonicContact NZ-OE1 2.86Å; K26-E30 WeakPolarHBondContact O-CG 3.31Å; K26-E30 PolarHBondContact O-N 3.35Å; K26-E168 WeakPolarHBondContact CB-OE1 3.46Å; K26-E168 PolarHBondContact N-OE1 2.58Å; K26-E168 PolarHBondContact N-OE2 3.41Å
27	K	97.5	Very high	95.9	Very high	79 Å²	79	60.2 Å²	60.2	34%	0.343	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-38.2	178.3	-165	85.7	-179.4	-164.8	0	112.2	I25 E30 F31 E168 F173 F175	I25-K27 VanDerWaalsContact C-N 3.31Å; I25-K27 HydrophobicContact CG2-CB 4.34Å; I25-K27 PolarHBondContact O-N 3.05Å; K27-E30 PolarHBondContact O-N 3.12Å; K27-F31 WeakPolarHBondContact O-CB 3.47Å; K27-F31 PolarHBondContact O-N 3.12Å; K27-E168 WeakPolarHBondContact CB-OE2 3.26Å; K27-E168 PolarHBondContact N-OE2 3.01Å; K27-F173 HydrophobicContact CB-CE2 3.93Å; K27-F173 HydrophobicContact CB-CZ 3.68Å; K27-F173 HydrophobicContact CG-CE2 4.02Å; K27-F173 HydrophobicContact CG-CZ 4.11Å; K27-F175 HydrophobicContact CG-CE2 4.13Å; K27-F175 HydrophobicContact CG-CZ 4.02Å
28	D	97.4	Very high	95.9	Very high	8 Å²	8	61 Å²	61	4%	0.043	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-41.4	175.1	177.7	59.9	0	0	0	111.2	I25 K26 E30 F31 F32 T133	I25-D28 HydrophobicContact CB-CB 3.87Å; I25-D28 HydrophobicContact CG2-CB 3.68Å; I25-D28 PolarHBondContact O-N 3.36Å; K26-D28 VanDerWaalsContact C-N 3.29Å; K26-D28 PolarHBondContact O-N 2.85Å; D28-E30 VanDerWaalsContact C-N 3.35Å; D28-E30 PolarHBondContact O-N 3.13Å; D28-F31 WeakPolarHBondContact O-CB 3.48Å; D28-F31 PolarHBondContact O-N 3Å; D28-F32 WeakPolarHBondContact O-CB 3.35Å; D28-F32 PolarHBondContact O-N 3.4Å; D28-T133 HydrophobicContact CB-CG2 4.44Å; D28-T133 WeakPolarHBondContact OD1-CB 3.48Å; D28-T133 WeakPolarHBondContact OD1-CG2 3.49Å; D28-T133 PolarHBondContact OD1-OG1 2.58Å
29	M	96.8	Very high	96	Very high	82 Å²	82	59.2 Å²	59.2	40%	0.404	31%	0.305	S	S	.	.	H	α-helix	trans	-65.1	-36.4	173.6	-65.1	-63.1	99	0	0	112.8	L21 I25 K26 K33	L21-M29 HydrophobicContact CD1-CE 3.59Å; L21-M29 HydrophobicContact CD1-SD 4.3Å; I25-M29 PolarHBondContact O-N 3.07Å; K26-M29 WeakPolarHBondContact O-CB 3.34Å; K26-M29 PolarHBondContact O-N 3.11Å; K26-M29 VanDerWaalsContact O-N 3.14Å; M29-K33 WeakPolarHBondContact O-CB 2.89Å; M29-K33 PolarHBondContact O-N 3.44Å
30	E	96.8	Very high	96.4	Very high	85 Å²	85	63.4 Å²	63.4	40%	0.397	32%	0.315	S	S	.	.	H	α-helix	trans	-65.9	-42.1	173.2	-73.3	171.8	-178.7	0	0	111.5	K26 K27 D28 K33 T34	K26-E30 WeakPolarHBondContact CE-OE1 3.36Å; K26-E30 IonicContact NZ-OE1 2.86Å; K26-E30 WeakPolarHBondContact O-CG 3.31Å; K26-E30 PolarHBondContact O-N 3.35Å; K27-E30 PolarHBondContact O-N 3.12Å; D28-E30 VanDerWaalsContact C-N 3.35Å; D28-E30 PolarHBondContact O-N 3.13Å; E30-K33 PolarHBondContact O-N 3.17Å; E30-T34 WeakPolarHBondContact O-CB 3.33Å; E30-T34 PolarHBondContact O-N 3.23Å; E30-T34 PolarHBondContact O-OG1 3.44Å
31	F	97.4	Very high	96.6	Very high	15 Å²	15	68.3 Å²	68.3	7%	0.066	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-52	173.8	176.5	-103.4	0	0	0	111.4	K27 D28 K33 T34 V35 Y131 I161 F175	K27-F31 WeakPolarHBondContact O-CB 3.47Å; K27-F31 PolarHBondContact O-N 3.12Å; D28-F31 WeakPolarHBondContact O-CB 3.48Å; D28-F31 PolarHBondContact O-N 3Å; F31-K33 VanDerWaalsContact C-N 3.32Å; F31-K33 PolarHBondContact O-N 2.74Å; F31-T34 PolarHBondContact O-N 3.39Å; F31-T34 VanDerWaalsContact O-N 3.15Å; F31-V35 HydrophobicContact CD1-CG2 4.42Å; F31-V35 HydrophobicContact CD2-CG2 4.1Å; F31-V35 HydrophobicContact CE1-CG2 4.07Å; F31-V35 HydrophobicContact CE2-CG2 3.74Å; F31-V35 HydrophobicContact CG-CG2 4.43Å; F31-V35 HydrophobicContact CZ-CG2 3.72Å; F31-V35 WeakPolarHBondContact O-CG2 3.37Å; F31-V35 PolarHBondContact O-N 2.82Å; F31-Y131 HydrophobicContact CZ-CD1 4.34Å; F31-I161 HydrophobicContact CE2-CD1 3.5Å; F31-I161 VanDerWaalsContact CE2-CD1 3.5Å; F31-I161 HydrophobicContact CE2-CG2 4.23Å; F31-I161 HydrophobicContact CZ-CD1 3.88Å; F31-F175 HydrophobicContact CB-CD1 4.05Å; F31-F175 HydrophobicContact CB-CE1 3.46Å; F31-F175 VanDerWaalsContact CB-CE1 3.46Å; F31-F175 HydrophobicContact CB-CE2 4.4Å; F31-F175 HydrophobicContact CB-CZ 3.66Å; F31-F175 AromaticContact CD1-CD1 3.46Å; F31-F175 HydrophobicContact CD1-CD1 3.46Å; F31-F175 VanDerWaalsContact CD1-CD1 3.46Å; F31-F175 AromaticContact CD1-CE1 3.61Å; F31-F175 HydrophobicContact CD1-CE1 3.61Å; F31-F175 HydrophobicContact CD1-CG 4.35Å; F31-F175 HydrophobicContact CD2-CB 4.37Å; F31-F175 AromaticContact CD2-CD1 3.72Å; F31-F175 HydrophobicContact CD2-CD1 3.72Å; F31-F175 HydrophobicContact CD2-CD2 4.23Å; F31-F175 HydrophobicContact CD2-CE1 4.01Å; F31-F175 HydrophobicContact CD2-CE2 4.49Å; F31-F175 AromaticContact CD2-CG 3.84Å; F31-F175 HydrophobicContact CD2-CG 3.84Å; F31-F175 HydrophobicContact CD2-CZ 4.38Å; F31-F175 AromaticContact CE1-CD1 3.73Å; F31-F175 HydrophobicContact CE1-CD1 3.73Å; F31-F175 HydrophobicContact CE1-CE1 4.34Å; F31-F175 HydrophobicContact CE1-CG 4.42Å; F31-F175 HydrophobicContact CE2-CB 3.92Å; F31-F175 AromaticContact CE2-CD1 3.95Å; F31-F175 HydrophobicContact CE2-CD1 3.95Å; F31-F175 AromaticContact CE2-CG 3.89Å; F31-F175 HydrophobicContact CE2-CG 3.89Å; F31-F175 AromaticContact CG-CD1 3.46Å; F31-F175 HydrophobicContact CG-CD1 3.46Å; F31-F175 VanDerWaalsContact CG-CD1 3.46Å; F31-F175 AromaticContact CG-CE1 3.42Å; F31-F175 HydrophobicContact CG-CE1 3.42Å; F31-F175 VanDerWaalsContact CG-CE1 3.42Å; F31-F175 HydrophobicContact CG-CG 4.07Å; F31-F175 AromaticContact CG-CZ 3.99Å; F31-F175 HydrophobicContact CG-CZ 3.99Å; F31-F175 HydrophobicContact CZ-CB 4.04Å; F31-F175 AromaticContact CZ-CD1 3.96Å; F31-F175 HydrophobicContact CZ-CD1 3.96Å; F31-F175 HydrophobicContact CZ-CG 4.2Å
32	F	97.7	Very high	96.7	Very high	37 Å²	37	68 Å²	68	16%	0.162	36%	0.36	C	S	.	.	H	α-helix	trans	-53.1	-48.7	175.2	169	-101.6	0	0	0	111.9	V6 D28 T36 L64 I111	V6-F32 HydrophobicContact CB-CD2 4.4Å; V6-F32 HydrophobicContact CG1-CD2 3.85Å; D28-F32 WeakPolarHBondContact O-CB 3.35Å; D28-F32 PolarHBondContact O-N 3.4Å; F32-T36 HydrophobicContact CD2-CG2 4.02Å; F32-T36 HydrophobicContact CE2-CG2 3.68Å; F32-T36 HydrophobicContact CZ-CG2 4.17Å; F32-T36 WeakPolarHBondContact O-CB 3.33Å; F32-T36 WeakPolarHBondContact O-CG2 3.38Å; F32-T36 PolarHBondContact O-N 2.95Å; F32-T36 PolarHBondContact O-OG1 2.9Å; F32-L64 HydrophobicContact CE1-CD1 4.09Å; F32-L64 HydrophobicContact CZ-CD1 3.91Å; F32-I111 HydrophobicContact CE2-CB 3.76Å; F32-I111 HydrophobicContact CE2-CD1 4.28Å; F32-I111 HydrophobicContact CE2-CG2 3.65Å; F32-I111 HydrophobicContact CZ-CB 4.17Å; F32-I111 HydrophobicContact CZ-CD1 3.81Å; F32-I111 HydrophobicContact CZ-CG2 4.09Å
33	K	97.6	Very high	97	Very high	125 Å²	125	68.9 Å²	68.9	54%	0.543	36%	0.362	S	S	.	.	H	α-helix	trans	-58.4	-53.7	176.9	-178.1	-176.7	175.7	-173.2	0	110	M29 E30 F31 V35 T36 T37	M29-K33 WeakPolarHBondContact O-CB 2.89Å; M29-K33 PolarHBondContact O-N 3.44Å; E30-K33 PolarHBondContact O-N 3.17Å; F31-K33 VanDerWaalsContact C-N 3.32Å; F31-K33 PolarHBondContact O-N 2.74Å; K33-V35 PolarHBondContact O-N 2.91Å; K33-T36 PolarHBondContact O-N 2.89Å; K33-T36 PolarHBondContact O-OG1 2.93Å; K33-T37 HydrophobicContact CG-CG2 4.21Å; K33-T37 WeakPolarHBondContact O-CB 3.42Å; K33-T37 WeakPolarHBondContact O-CG2 3.35Å; K33-T37 PolarHBondContact O-N 3.09Å; K33-T37 PolarHBondContact O-OG1 3.16Å
34	T	96.7	Very high	97.1	Very high	82 Å²	82	73.3 Å²	73.3	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-56.8	-52.4	-176.3	-58.5	0	0	0	0	111.7	E30 F31 T36 T37 K38	E30-T34 WeakPolarHBondContact O-CB 3.33Å; E30-T34 PolarHBondContact O-N 3.23Å; E30-T34 PolarHBondContact O-OG1 3.44Å; F31-T34 PolarHBondContact O-N 3.39Å; F31-T34 VanDerWaalsContact O-N 3.15Å; T34-T36 VanDerWaalsContact C-N 3.35Å; T34-T36 PolarHBondContact O-N 2.87Å; T34-T37 PolarHBondContact O-N 3.24Å; T34-K38 VanDerWaalsContact O-CB 3.29Å; T34-K38 WeakPolarHBondContact O-CB 2.74Å; T34-K38 PolarHBondContact O-N 3.23Å
35	V	97.2	Very high	97.3	Very high	17 Å²	17	64.9 Å²	64.9	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-44.8	-179.6	170.7	0	0	0	0	111	V6 F31 K33 F109 Y131 I161	V6-V35 HydrophobicContact CG2-CG1 4.21Å; F31-V35 HydrophobicContact CD1-CG2 4.42Å; F31-V35 HydrophobicContact CD2-CG2 4.1Å; F31-V35 HydrophobicContact CE1-CG2 4.07Å; F31-V35 HydrophobicContact CE2-CG2 3.74Å; F31-V35 HydrophobicContact CG-CG2 4.43Å; F31-V35 HydrophobicContact CZ-CG2 3.72Å; F31-V35 WeakPolarHBondContact O-CG2 3.37Å; F31-V35 PolarHBondContact O-N 2.82Å; K33-V35 PolarHBondContact O-N 2.91Å; V35-F109 HydrophobicContact CG1-CD1 4.2Å; V35-F109 HydrophobicContact CG1-CE1 3.49Å; V35-F109 VanDerWaalsContact CG1-CE1 3.49Å; V35-F109 HydrophobicContact CG1-CZ 4.12Å; V35-F109 VanDerWaalsContact O-CZ 3.29Å; V35-F109 WeakPolarHBondContact O-CZ 3.3Å; V35-Y131 HydrophobicContact CG1-CD1 3.73Å; V35-Y131 HydrophobicContact CG1-CD2 4.22Å; V35-Y131 HydrophobicContact CG1-CE1 3.94Å; V35-Y131 HydrophobicContact CG1-CE2 4.43Å; V35-Y131 HydrophobicContact CG1-CG 3.88Å; V35-Y131 HydrophobicContact CG2-CD1 4.06Å; V35-Y131 HydrophobicContact CG2-CE1 4.44Å; V35-I161 HydrophobicContact CG2-CD1 4.39Å
36	T	98.2	Very high	97.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-81.9	-13.7	-175.9	61	0	0	0	0	114.2	V6 F32 K33 T34 N45 V47 R67 F109 I111	V6-T36 HydrophobicContact CG2-CG2 4.04Å; F32-T36 HydrophobicContact CD2-CG2 4.02Å; F32-T36 HydrophobicContact CE2-CG2 3.68Å; F32-T36 HydrophobicContact CZ-CG2 4.17Å; F32-T36 WeakPolarHBondContact O-CB 3.33Å; F32-T36 WeakPolarHBondContact O-CG2 3.38Å; F32-T36 PolarHBondContact O-N 2.95Å; F32-T36 PolarHBondContact O-OG1 2.9Å; K33-T36 PolarHBondContact O-N 2.89Å; K33-T36 PolarHBondContact O-OG1 2.93Å; T34-T36 VanDerWaalsContact C-N 3.35Å; T34-T36 PolarHBondContact O-N 2.87Å; T36-N45 WeakPolarHBondContact O-CB 3.43Å; T36-N45 PolarHBondContact O-ND2 3.06Å; T36-V47 HydrophobicContact CG2-CG1 4.19Å; T36-R67 WeakPolarHBondContact O-CD 3.36Å; T36-R67 WeakPolarHBondContact O-CG 3.15Å; T36-R67 PolarHBondContact OG1-NH1 3.29Å; T36-F109 HydrophobicContact CG2-CB 4.1Å; T36-F109 HydrophobicContact CG2-CD1 4.14Å; T36-F109 HydrophobicContact CG2-CD2 4.48Å; T36-F109 HydrophobicContact CG2-CG 3.98Å; T36-I111 HydrophobicContact CG2-CG2 4.11Å
37	T	97.8	Very high	97.4	Very high	44 Å²	44	58.1 Å²	58.1	27%	0.27	32%	0.315	S	S	.	.	H	α-helix	trans	-104.2	-19.3	177.6	58.4	0	0	0	0	114.5	K33 T34 A39 R67	K33-T37 HydrophobicContact CG-CG2 4.21Å; K33-T37 WeakPolarHBondContact O-CB 3.42Å; K33-T37 WeakPolarHBondContact O-CG2 3.35Å; K33-T37 PolarHBondContact O-N 3.09Å; K33-T37 PolarHBondContact O-OG1 3.16Å; T34-T37 PolarHBondContact O-N 3.24Å; T37-A39 PolarHBondContact O-N 2.83Å; T37-R67 HydrophobicContact CG2-CG 4.16Å
38	K	96.3	Very high	97.5	Very high	116 Å²	116	54.4 Å²	54.4	50%	0.504	30%	0.299	S	S	.	.			trans	-71	101.5	-179.6	-175.1	175.2	-178.5	172.5	0	109.6	T34 N45 D160	T34-K38 VanDerWaalsContact O-CB 3.29Å; T34-K38 WeakPolarHBondContact O-CB 2.74Å; T34-K38 PolarHBondContact O-N 3.23Å; K38-N45 PolarHBondContact O-ND2 2.89Å; K38-D160 IonicContact NZ-OD1 3.17Å; K38-D160 PolarHBondContact NZ-OD1 2.82Å; K38-D160 IonicContact NZ-OD2 2.61Å; K38-D160 PolarHBondContact NZ-OD2 3.5Å
39	A	97	Very high	97.5	Very high	33 Å²	33	54 Å²	54	27%	0.273	30%	0.297	S	S	.	.			trans	-124.1	161.1	177.4	0	0	0	0	0	110.4	T37 D106	T37-A39 PolarHBondContact O-N 2.83Å; A39-D106 WeakPolarHBondContact CA-OD2 3.34Å; A39-D106 HydrophobicContact CB-CB 4.06Å
40	H	97	Very high	97.5	Very high	122 Å²	122	50.7 Å²	50.7	57%	0.565	28%	0.284	S	S	*	.			trans	-59.3	148.8	170	-64	98.2	0	0	0	111	G42 L43 D106	H40-G42 PolarHBondContact O-N 3.38Å; H40-L43 HydrophobicContact CB-CD1 4.13Å; H40-L43 HydrophobicContact CB-CG 4.49Å; H40-L43 PolarHBondContact O-N 3.45Å; H40-D106 IonicContact CE1-OD1 2.78Å; H40-D106 IonicContact CE1-OD2 3.83Å; H40-D106 IonicContact CG-OD1 4Å; H40-D106 IonicContact CG-OD2 3.27Å; H40-D106 PolarHBondContact N-OD2 2.98Å; H40-D106 IonicContact ND1-OD1 3.78Å; H40-D106 PolarHBondContact ND1-OD1 2.78Å; H40-D106 IonicContact ND1-OD2 2.67Å; H40-D106 PolarHBondContact ND1-OD2 2.9Å
41	P	96.5	Very high	97.5	Very high	130 Å²	130	50.7 Å²	50.7	84%	0.844	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	130.1	-178.8	-27.1	35	0	0	0	112.9	L43	P41-L43 VanDerWaalsContact C-N 3.28Å; P41-L43 PolarHBondContact O-N 2.88Å
42	G	96	Very high	97.3	Very high	80 Å²	80	53.4 Å²	53.4	83%	0.825	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-10	-179.6	0	0	0	0	0	115.1	H40	H40-G42 PolarHBondContact O-N 3.38Å
43	L	97.7	Very high	97.2	Very high	61 Å²	61	52.9 Å²	52.9	32%	0.319	30%	0.298	S	S	.	.			trans	-104.9	168.2	177.3	-53.2	-175.3	0	0	0	111.8	H40 P41 S103 I104 D106	H40-L43 HydrophobicContact CB-CD1 4.13Å; H40-L43 HydrophobicContact CB-CG 4.49Å; H40-L43 PolarHBondContact O-N 3.45Å; P41-L43 VanDerWaalsContact C-N 3.28Å; P41-L43 PolarHBondContact O-N 2.88Å; L43-S103 WeakPolarHBondContact CD2-O 3.4Å; L43-I104 CarbonylContact C-O 3.54Å; L43-I104 WeakPolarHBondContact CA-O 3.3Å; L43-D106 HydrophobicContact CB-CB 3.77Å; L43-D106 HydrophobicContact CD1-CB 3.94Å
44	K	98	Very high	97.2	Very high	104 Å²	104	47.6 Å²	47.6	45%	0.452	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.1	174.6	-68.8	179.5	-178.4	172.8	0	110.2	I68 I104 V105 D106	K44-I68 HydrophobicContact CB-CD1 4.19Å; K44-I68 HydrophobicContact CB-CG1 4.13Å; K44-I104 PolarHBondContact N-O 3.37Å; K44-V105 CarbonylContact O-C 3.13Å; K44-V105 VanDerWaalsContact O-CA 3.31Å; K44-V105 WeakPolarHBondContact O-CA 3.41Å; K44-D106 PolarHBondContact O-N 3.27Å
45	N	98.6	Very high	97.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	147.9	168.5	-68.1	-26.9	0	0	0	110.8	T36 K38 R67 I68 D106 E107 F109	T36-N45 WeakPolarHBondContact O-CB 3.43Å; T36-N45 PolarHBondContact O-ND2 3.06Å; K38-N45 PolarHBondContact O-ND2 2.89Å; N45-R67 CarbonylContact O-C 3.53Å; N45-R67 WeakPolarHBondContact O-CA 3.08Å; N45-I68 PolarHBondContact O-N 2.93Å; N45-D106 WeakPolarHBondContact OD1-CB 3.23Å; N45-E107 CarbonylContact C-O 3.59Å; N45-E107 WeakPolarHBondContact CA-O 3.36Å; N45-E107 PolarHBondContact OD1-N 3.17Å; N45-E107 VanDerWaalsContact OD1-N 3.09Å; N45-F109 HydrophobicContact CB-CD2 3.92Å; N45-F109 HydrophobicContact CB-CE2 3.82Å; N45-F109 WeakPolarHBondContact ND2-CE2 3.46Å
46	A	98.6	Very high	96.9	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137	170	0	0	0	0	0	110.8	I68 I70 L96 V105 E107 F109	A46-I68 CarbonylContact C-O 3.58Å; A46-I68 WeakPolarHBondContact CA-O 3.32Å; A46-I68 HydrophobicContact CB-CB 4.16Å; A46-I70 HydrophobicContact CB-CD1 4.43Å; A46-L96 HydrophobicContact CB-CD1 3.71Å; A46-L96 HydrophobicContact CB-CD2 3.8Å; A46-L96 HydrophobicContact CB-CG 4.41Å; A46-V105 HydrophobicContact CB-CG2 3.94Å; A46-E107 PolarHBondContact N-O 3.03Å; A46-F109 PolarHBondContact O-N 2.96Å
47	V	98.8	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.4	171.8	-69.2	0	0	0	0	109.6	T36 M49 L64 R67 I68 I70 F109 I111	T36-V47 HydrophobicContact CG2-CG1 4.19Å; V47-M49 HydrophobicContact CG2-CE 3.99Å; V47-L64 HydrophobicContact CG2-CB 4.35Å; V47-L64 HydrophobicContact CG2-CD1 3.99Å; V47-R67 HydrophobicContact CG1-CB 4.32Å; V47-R67 HydrophobicContact CG1-CG 4.21Å; V47-R67 HydrophobicContact CG2-CB 3.99Å; V47-I68 PolarHBondContact N-O 3.49Å; V47-I70 PolarHBondContact O-N 2.95Å; V47-F109 CarbonylContact C-O 3.54Å; V47-F109 WeakPolarHBondContact CA-O 3.35Å; V47-F109 HydrophobicContact CG1-CB 4.31Å; V47-I111 HydrophobicContact CB-CD1 4.17Å; V47-I111 HydrophobicContact CB-CG1 4.44Å; V47-I111 HydrophobicContact CB-CG2 4.02Å; V47-I111 HydrophobicContact CG1-CG2 3.89Å
48	V	98.8	Very high	96.5	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.4	-178.4	-170.4	0	0	0	0	108.8	I70 V72 L89 A92 V108 F109 I110 I111 L116	V48-I70 WeakPolarHBondContact CA-O 3.26Å; V48-I70 HydrophobicContact CG2-CB 4.29Å; V48-I70 HydrophobicContact CG2-CD1 4.35Å; V48-V72 HydrophobicContact CG1-CG2 3.68Å; V48-L89 HydrophobicContact CG1-CD1 4.27Å; V48-A92 HydrophobicContact CG1-CB 3.98Å; V48-A92 HydrophobicContact CG2-CB 4.43Å; V48-V108 HydrophobicContact CG2-CG1 3.84Å; V48-F109 PolarHBondContact N-O 2.97Å; V48-I110 HydrophobicContact CB-CD1 3.75Å; V48-I110 HydrophobicContact CG1-CD1 4.27Å; V48-I110 HydrophobicContact CG2-CD1 4.06Å; V48-I111 PolarHBondContact O-N 2.77Å; V48-L116 HydrophobicContact CG1-CD1 4.08Å
49	M	98.2	Very high	96.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.4	-176.2	71.6	-166.6	89.3	0	0	112.4	V47 T53 W54 I57 L64 I70 V71 V72 I111	V47-M49 HydrophobicContact CG2-CE 3.99Å; M49-T53 HydrophobicContact CB-CG2 4.04Å; M49-T53 HydrophobicContact SD-CG2 4.49Å; M49-W54 HydrophobicContact CE-CE3 4.23Å; M49-W54 HydrophobicContact CG-CB 4.15Å; M49-W54 HydrophobicContact SD-CB 4.02Å; M49-W54 HydrophobicContact SD-CE3 3.75Å; M49-I57 HydrophobicContact CE-CD1 4.43Å; M49-I57 HydrophobicContact SD-CD1 3.64Å; M49-L64 HydrophobicContact CE-CD1 4.17Å; M49-I70 PolarHBondContact N-O 3.41Å; M49-V71 HydrophobicContact CG-CG2 4.17Å; M49-V71 CarbonylContact O-C 3.55Å; M49-V71 WeakPolarHBondContact O-CA 3.27Å; M49-V72 PolarHBondContact O-N 3.38Å; M49-I111 HydrophobicContact CB-CD1 4.05Å; M49-I111 HydrophobicContact CB-CG1 3.65Å; M49-I111 HydrophobicContact CE-CD1 3.66Å; M49-I111 HydrophobicContact CE-CG1 4.41Å; M49-I111 HydrophobicContact SD-CD1 4.01Å
50	G	97	Very high	96.2	Very high	12 Å²	12	56.7 Å²	56.7	12%	0.124	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	162.1	173.6	0	0	0	0	0	111.9	V52 T53 W54 G112 L116	G50-V52 VanDerWaalsContact C-N 3.31Å; G50-V52 PolarHBondContact O-N 3.35Å; G50-T53 PolarHBondContact O-N 3.11Å; G50-T53 VanDerWaalsContact O-N 3.11Å; G50-W54 PolarHBondContact O-N 3.46Å; G50-G112 PolarHBondContact N-O 3.48Å; G50-L116 VanDerWaalsContact N-CD1 3.26Å
51	R	95.7	Very high	96	Very high	85 Å²	85	57.1 Å²	57.1	32%	0.321	33%	0.327	S	S	.	.	H	α-helix	trans	-48.3	-46.7	177.5	-175.1	-179.8	59.5	72	3.9	114.2	T53 W54 E55 V72 T75	R51-T53 PolarHBondContact O-N 2.79Å; R51-W54 WeakPolarHBondContact O-CB 3.41Å; R51-W54 PolarHBondContact O-N 3.02Å; R51-E55 WeakPolarHBondContact CD-OE1 3.47Å; R51-E55 HydrophobicContact CG-CG 4.41Å; R51-E55 WeakPolarHBondContact CG-OE1 3.43Å; R51-E55 IonicContact CZ-OE1 3.83Å; R51-E55 IonicContact CZ-OE2 3.99Å; R51-E55 IonicContact NE-OE1 2.85Å; R51-E55 IonicContact NH1-OE1 3.57Å; R51-E55 PolarHBondContact NH1-OE1 2.86Å; R51-E55 IonicContact NH1-OE2 3.73Å; R51-E55 PolarHBondContact NH1-OE2 3.43Å; R51-E55 WeakPolarHBondContact O-CG 3.39Å; R51-E55 PolarHBondContact O-N 3.12Å; R51-V72 PolarHBondContact N-O 3.22Å; R51-T75 WeakPolarHBondContact CD-OG1 3.34Å; R51-T75 PolarHBondContact NE-OG1 2.96Å
52	V	94.6	Very high	95.9	Very high	72 Å²	72	52.5 Å²	52.5	44%	0.436	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-41.5	-177.7	177.9	0	0	0	0	111.3	G50 E55 S56	G50-V52 VanDerWaalsContact C-N 3.31Å; G50-V52 PolarHBondContact O-N 3.35Å; V52-E55 PolarHBondContact O-N 3.1Å; V52-S56 WeakPolarHBondContact O-CB 3.35Å; V52-S56 PolarHBondContact O-N 2.93Å
53	T	95.7	Very high	95.9	Very high	26 Å²	26	50.1 Å²	50.1	16%	0.16	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-45.8	175.1	-59.5	0	0	0	0	110.7	M49 G50 R51 E55 S56 I57 G113	M49-T53 HydrophobicContact CB-CG2 4.04Å; M49-T53 HydrophobicContact SD-CG2 4.49Å; G50-T53 PolarHBondContact O-N 3.11Å; G50-T53 VanDerWaalsContact O-N 3.11Å; R51-T53 PolarHBondContact O-N 2.79Å; T53-E55 PolarHBondContact O-N 3.32Å; T53-S56 PolarHBondContact O-N 2.89Å; T53-S56 PolarHBondContact O-OG 3.27Å; T53-I57 WeakPolarHBondContact O-CG1 3.47Å; T53-I57 PolarHBondContact O-N 2.9Å; T53-G113 PolarHBondContact OG1-N 3.21Å; T53-G113 VanDerWaalsContact OG1-N 3.12Å
54	W	96.1	Very high	95.9	Very high	15 Å²	15	48 Å²	48	6%	0.057	25%	0.252	C	S	.	.	H	α-helix	trans	-53.6	-54.3	174.1	172.3	-106.9	0	0	0	110.6	M49 G50 R51 S56 I57 K62 P63 V71 V83	M49-W54 HydrophobicContact CE-CE3 4.23Å; M49-W54 HydrophobicContact CG-CB 4.15Å; M49-W54 HydrophobicContact SD-CB 4.02Å; M49-W54 HydrophobicContact SD-CE3 3.75Å; G50-W54 PolarHBondContact O-N 3.46Å; R51-W54 WeakPolarHBondContact O-CB 3.41Å; R51-W54 PolarHBondContact O-N 3.02Å; W54-S56 VanDerWaalsContact C-N 3.26Å; W54-S56 PolarHBondContact O-N 3.29Å; W54-I57 PolarHBondContact O-N 3.12Å; W54-I57 VanDerWaalsContact O-N 3.16Å; W54-K62 HydrophobicContact CH2-CB 3.92Å; W54-K62 HydrophobicContact CH2-CD 4.21Å; W54-K62 HydrophobicContact CH2-CG 3.92Å; W54-K62 HydrophobicContact CZ2-CB 4.34Å; W54-K62 HydrophobicContact CZ2-CD 3.97Å; W54-K62 HydrophobicContact CZ2-CG 4.21Å; W54-K62 HydrophobicContact CZ3-CB 4.45Å; W54-K62 HydrophobicContact CZ3-CG 4.12Å; W54-K62 WeakPolarHBondContact O-CE 3.35Å; W54-K62 PolarHBondContact O-NZ 2.98Å; W54-P63 HydrophobicContact CH2-CB 4.31Å; W54-V71 HydrophobicContact CB-CG1 3.87Å; W54-V71 HydrophobicContact CB-CG2 3.93Å; W54-V71 HydrophobicContact CD2-CG2 3.67Å; W54-V71 HydrophobicContact CE3-CG2 3.76Å; W54-V71 HydrophobicContact CG-CG1 4.2Å; W54-V71 HydrophobicContact CG-CG2 3.75Å; W54-V83 HydrophobicContact CH2-CG1 4.22Å; W54-V83 HydrophobicContact CH2-CG2 3.63Å; W54-V83 HydrophobicContact CZ2-CG1 4.42Å; W54-V83 HydrophobicContact CZ2-CG2 4.19Å; W54-V83 HydrophobicContact CZ3-CG1 4.38Å; W54-V83 HydrophobicContact CZ3-CG2 4.26Å
55	E	94.5	Very high	95.8	Very high	92 Å²	92	50.3 Å²	50.3	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-57.5	-36.5	-179.9	-73.2	166.6	-175.5	0	0	113.1	R51 V52 T53 I57 K62	R51-E55 WeakPolarHBondContact CD-OE1 3.47Å; R51-E55 HydrophobicContact CG-CG 4.41Å; R51-E55 WeakPolarHBondContact CG-OE1 3.43Å; R51-E55 IonicContact CZ-OE1 3.83Å; R51-E55 IonicContact CZ-OE2 3.99Å; R51-E55 IonicContact NE-OE1 2.85Å; R51-E55 IonicContact NH1-OE1 3.57Å; R51-E55 PolarHBondContact NH1-OE1 2.86Å; R51-E55 IonicContact NH1-OE2 3.73Å; R51-E55 PolarHBondContact NH1-OE2 3.43Å; R51-E55 WeakPolarHBondContact O-CG 3.39Å; R51-E55 PolarHBondContact O-N 3.12Å; V52-E55 PolarHBondContact O-N 3.1Å; T53-E55 PolarHBondContact O-N 3.32Å; E55-I57 VanDerWaalsContact C-N 3.32Å; E55-I57 PolarHBondContact O-N 3.16Å; E55-K62 PolarHBondContact O-NZ 3.2Å; E55-K62 VanDerWaalsContact O-NZ 3.09Å
56	S	94	Very high	95.7	Very high	56 Å²	56	56 Å²	56	39%	0.392	29%	0.293	S	S	.	.	H	α-helix	trans	-70.1	-20.5	-179.8	78.2	0	0	0	0	115.4	G19 V52 T53 W54	G19-S56 WeakPolarHBondContact O-CB 3.32Å; V52-S56 WeakPolarHBondContact O-CB 3.35Å; V52-S56 PolarHBondContact O-N 2.93Å; T53-S56 PolarHBondContact O-N 2.89Å; T53-S56 PolarHBondContact O-OG 3.27Å; W54-S56 VanDerWaalsContact C-N 3.26Å; W54-S56 PolarHBondContact O-N 3.29Å
57	I	94	Very high	95.7	Very high	23 Å²	23	57.4 Å²	57.4	12%	0.118	30%	0.298	C	S	.	.	S	Bend	trans	-69.8	132.8	178.5	-64	163.4	0	0	0	107.9	M49 T53 W54 E55 F61 K62 L64	M49-I57 HydrophobicContact CE-CD1 4.43Å; M49-I57 HydrophobicContact SD-CD1 3.64Å; T53-I57 WeakPolarHBondContact O-CG1 3.47Å; T53-I57 PolarHBondContact O-N 2.9Å; W54-I57 PolarHBondContact O-N 3.12Å; W54-I57 VanDerWaalsContact O-N 3.16Å; E55-I57 VanDerWaalsContact C-N 3.32Å; E55-I57 PolarHBondContact O-N 3.16Å; I57-F61 HydrophobicContact CG2-CB 3.93Å; I57-K62 HydrophobicContact CB-CG 4.02Å; I57-K62 HydrophobicContact CG2-CG 3.74Å; I57-K62 WeakPolarHBondContact O-CE 3.44Å; I57-K62 PolarHBondContact O-NZ 3.12Å; I57-L64 HydrophobicContact CD1-CD1 4.4Å; I57-L64 HydrophobicContact CD1-CD2 4.46Å; I57-L64 HydrophobicContact CD1-CG 4.34Å; I57-L64 HydrophobicContact CG2-CD2 4.47Å
58	P	93.1	Very high	95.7	Very high	76 Å²	76	58 Å²	58	49%	0.494	30%	0.302	S	S	.	.			trans	-64	145.2	177.5	-17.1	28.1	0	0	0	111.6	S60 F61 K62	P58-S60 PolarHBondContact O-N 3.09Å; P58-S60 VanDerWaalsContact O-N 3.12Å; P58-F61 HydrophobicContact CB-CD2 3.93Å; P58-F61 HydrophobicContact CG-CD2 3.93Å; P58-F61 HydrophobicContact CG-CE2 4.48Å; P58-F61 WeakPolarHBondContact O-CA 3.47Å; P58-F61 PolarHBondContact O-N 2.91Å; P58-K62 PolarHBondContact O-N 3.39Å
59	E	93.1	Very high	95.6	Very high	142 Å²	142	58.1 Å²	58.1	66%	0.664	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-54.9	-35.2	-176.6	-67.1	-54.6	123.9	0	0	113.6	F61 K62	E59-F61 PolarHBondContact O-N 3.35Å; E59-F61 VanDerWaalsContact O-N 3.1Å; E59-K62 PolarHBondContact O-N 2.79Å; E59-K62 VanDerWaalsContact O-N 3.12Å; E59-K62 WeakPolarHBondContact OE1-CD 3.44Å; E59-K62 IonicContact OE1-NZ 3.58Å; E59-K62 PolarHBondContact OE1-NZ 2.84Å
60	S	94.1	Very high	95.6	Very high	94 Å²	94	58.1 Å²	58.1	66%	0.657	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-64.4	-14.7	176.5	59.6	0	0	0	0	114.4	P58	P58-S60 PolarHBondContact O-N 3.09Å; P58-S60 VanDerWaalsContact O-N 3.12Å
61	F	93.7	Very high	95.7	Very high	131 Å²	131	57.5 Å²	57.5	58%	0.575	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-113.3	3.1	178.2	-61.1	-73	0	0	0	113	I57 P58 E59 P63 L64	I57-F61 HydrophobicContact CG2-CB 3.93Å; P58-F61 HydrophobicContact CB-CD2 3.93Å; P58-F61 HydrophobicContact CG-CD2 3.93Å; P58-F61 HydrophobicContact CG-CE2 4.48Å; P58-F61 WeakPolarHBondContact O-CA 3.47Å; P58-F61 PolarHBondContact O-N 2.91Å; E59-F61 PolarHBondContact O-N 3.35Å; E59-F61 VanDerWaalsContact O-N 3.1Å; F61-P63 CarbonylContact O-C 3.57Å; F61-L64 PolarHBondContact O-N 2.7Å
62	K	93.9	Very high	95.8	Very high	33 Å²	33	54.4 Å²	54.4	14%	0.143	29%	0.286	C	S	.	.			trans	-95.6	134.5	172.8	-74.1	174.6	178.1	152.6	0	110.5	W54 E55 I57 P58 E59	W54-K62 HydrophobicContact CH2-CB 3.92Å; W54-K62 HydrophobicContact CH2-CD 4.21Å; W54-K62 HydrophobicContact CH2-CG 3.92Å; W54-K62 HydrophobicContact CZ2-CB 4.34Å; W54-K62 HydrophobicContact CZ2-CD 3.97Å; W54-K62 HydrophobicContact CZ2-CG 4.21Å; W54-K62 HydrophobicContact CZ3-CB 4.45Å; W54-K62 HydrophobicContact CZ3-CG 4.12Å; W54-K62 WeakPolarHBondContact O-CE 3.35Å; W54-K62 PolarHBondContact O-NZ 2.98Å; E55-K62 PolarHBondContact O-NZ 3.2Å; E55-K62 VanDerWaalsContact O-NZ 3.09Å; I57-K62 HydrophobicContact CB-CG 4.02Å; I57-K62 HydrophobicContact CG2-CG 3.74Å; I57-K62 WeakPolarHBondContact O-CE 3.44Å; I57-K62 PolarHBondContact O-NZ 3.12Å; P58-K62 PolarHBondContact O-N 3.39Å; E59-K62 PolarHBondContact O-N 2.79Å; E59-K62 VanDerWaalsContact O-N 3.12Å; E59-K62 WeakPolarHBondContact OE1-CD 3.44Å; E59-K62 IonicContact OE1-NZ 3.58Å; E59-K62 PolarHBondContact OE1-NZ 2.84Å
63	P	96.1	Very high	95.9	Very high	30 Å²	30	51.7 Å²	51.7	20%	0.195	27%	0.271	C	S	.	.	S	Bend	cis	-70.4	166.9	-14.5	38.9	-39.1	0	0	0	109.6	W54 F61 K65 N69 F82 V83	W54-P63 HydrophobicContact CH2-CB 4.31Å; F61-P63 CarbonylContact O-C 3.57Å; P63-K65 PolarHBondContact O-N 3.31Å; P63-N69 HydrophobicContact CB-CB 4.35Å; P63-F82 HydrophobicContact CB-CD2 4.13Å; P63-F82 HydrophobicContact CB-CE2 3.99Å; P63-F82 VanDerWaalsContact CD-CE2 3.46Å; P63-F82 HydrophobicContact CG-CD2 3.62Å; P63-F82 HydrophobicContact CG-CE2 3.32Å; P63-F82 HydrophobicContact CG-CZ 4.31Å; P63-V83 HydrophobicContact CB-CG2 3.94Å
64	L	97.1	Very high	95.8	Very high	15 Å²	15	55.7 Å²	55.7	8%	0.079	30%	0.3	C	S	.	.			trans	-63.3	106.4	172.6	-70.6	-176.3	0	0	0	109.4	F32 V47 M49 I57 F61 N69 I111	F32-L64 HydrophobicContact CE1-CD1 4.09Å; F32-L64 HydrophobicContact CZ-CD1 3.91Å; V47-L64 HydrophobicContact CG2-CB 4.35Å; V47-L64 HydrophobicContact CG2-CD1 3.99Å; M49-L64 HydrophobicContact CE-CD1 4.17Å; I57-L64 HydrophobicContact CD1-CD1 4.4Å; I57-L64 HydrophobicContact CD1-CD2 4.46Å; I57-L64 HydrophobicContact CD1-CG 4.34Å; I57-L64 HydrophobicContact CG2-CD2 4.47Å; F61-L64 PolarHBondContact O-N 2.7Å; L64-N69 WeakPolarHBondContact CB-OD1 3.32Å; L64-N69 PolarHBondContact N-OD1 3.07Å; L64-N69 PolarHBondContact O-ND2 3.03Å; L64-I111 HydrophobicContact CD1-CD1 3.61Å
65	K	96.1	Very high	95.7	Very high	154 Å²	154	59.3 Å²	59.3	67%	0.67	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	148.1	-176.6	-64	-176.4	-179.3	-178.5	0	112.1	P63 R67	P63-K65 PolarHBondContact O-N 3.31Å; K65-R67 PolarHBondContact O-N 2.77Å; K65-R67 PolarHBondContact O-NE 2.97Å; K65-R67 PolarHBondContact O-NH2 2.79Å; K65-R67 VanDerWaalsContact O-NH2 3.16Å
66	D	96.6	Very high	95.6	Very high	120 Å²	120	56.5 Å²	56.5	64%	0.642	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	22.5	176.6	-50.2	-49.1	0	0	0	115.2
67	R	98.1	Very high	95.2	Very high	28 Å²	28	58.6 Å²	58.6	11%	0.106	33%	0.326	C	S	.	.	S	Bend	trans	-136.5	150.8	179.9	-73	158.8	-76.9	-176.4	1.6	111.2	T36 T37 N45 V47 K65 N69	T36-R67 WeakPolarHBondContact O-CD 3.36Å; T36-R67 WeakPolarHBondContact O-CG 3.15Å; T36-R67 PolarHBondContact OG1-NH1 3.29Å; T37-R67 HydrophobicContact CG2-CG 4.16Å; N45-R67 CarbonylContact O-C 3.53Å; N45-R67 WeakPolarHBondContact O-CA 3.08Å; V47-R67 HydrophobicContact CG1-CB 4.32Å; V47-R67 HydrophobicContact CG1-CG 4.21Å; V47-R67 HydrophobicContact CG2-CB 3.99Å; K65-R67 PolarHBondContact O-N 2.77Å; K65-R67 PolarHBondContact O-NE 2.97Å; K65-R67 PolarHBondContact O-NH2 2.79Å; K65-R67 VanDerWaalsContact O-NH2 3.16Å; R67-N69 PolarHBondContact O-N 3.18Å; R67-N69 PolarHBondContact O-ND2 2.99Å
68	I	98.1	Very high	94.8	Very high	13 Å²	13	65 Å²	65	7%	0.067	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	113	169.3	-59.6	159.1	0	0	0	106.9	K44 N45 A46 V47 I70 L96 F101 I104 V105	K44-I68 HydrophobicContact CB-CD1 4.19Å; K44-I68 HydrophobicContact CB-CG1 4.13Å; N45-I68 PolarHBondContact O-N 2.93Å; A46-I68 CarbonylContact C-O 3.58Å; A46-I68 WeakPolarHBondContact CA-O 3.32Å; A46-I68 HydrophobicContact CB-CB 4.16Å; V47-I68 PolarHBondContact N-O 3.49Å; I68-I70 HydrophobicContact CG2-CD1 4.46Å; I68-I70 HydrophobicContact CG2-CG1 4.21Å; I68-L96 HydrophobicContact CG2-CD2 4.46Å; I68-F101 HydrophobicContact CD1-CD1 4.05Å; I68-F101 HydrophobicContact CG1-CD1 4.44Å; I68-F101 HydrophobicContact CG2-CD1 3.94Å; I68-F101 HydrophobicContact CG2-CE1 3.78Å; I68-I104 HydrophobicContact CD1-CD1 4.21Å; I68-I104 HydrophobicContact CD1-CG1 4.24Å; I68-V105 HydrophobicContact CD1-CB 4.06Å; I68-V105 HydrophobicContact CD1-CG2 4.26Å
69	N	98.5	Very high	94.6	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.016	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.3	-175.6	-76.6	-114.9	0	0	0	109.8	P63 L64 R67 V83 Q84	P63-N69 HydrophobicContact CB-CB 4.35Å; L64-N69 WeakPolarHBondContact CB-OD1 3.32Å; L64-N69 PolarHBondContact N-OD1 3.07Å; L64-N69 PolarHBondContact O-ND2 3.03Å; R67-N69 PolarHBondContact O-N 3.18Å; R67-N69 PolarHBondContact O-ND2 2.99Å; N69-V83 HydrophobicContact CB-CG1 4.3Å; N69-V83 HydrophobicContact CB-CG2 4.2Å; N69-Q84 PolarHBondContact O-N 2.87Å
70	I	98.4	Very high	94.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.8	177.5	-50.6	179.3	0	0	0	109.4	A46 V47 V48 M49 I68 Q84 V86 A92 L95 L96	A46-I70 HydrophobicContact CB-CD1 4.43Å; V47-I70 PolarHBondContact O-N 2.95Å; V48-I70 WeakPolarHBondContact CA-O 3.26Å; V48-I70 HydrophobicContact CG2-CB 4.29Å; V48-I70 HydrophobicContact CG2-CD1 4.35Å; M49-I70 PolarHBondContact N-O 3.41Å; I68-I70 HydrophobicContact CG2-CD1 4.46Å; I68-I70 HydrophobicContact CG2-CG1 4.21Å; I70-Q84 CarbonylContact C-O 3.52Å; I70-Q84 WeakPolarHBondContact CA-O 3.2Å; I70-Q84 HydrophobicContact CB-CB 4.47Å; I70-Q84 HydrophobicContact CG1-CB 4.11Å; I70-Q84 HydrophobicContact CG1-CG 4.46Å; I70-Q84 HydrophobicContact CG2-CB 4.32Å; I70-V86 HydrophobicContact CG2-CG1 4.47Å; I70-V86 HydrophobicContact CG2-CG2 3.6Å; I70-A92 HydrophobicContact CG2-CB 3.84Å; I70-L95 HydrophobicContact CD1-CD2 4.26Å; I70-L96 HydrophobicContact CD1-CD1 3.9Å; I70-L96 HydrophobicContact CD1-CD2 3.72Å; I70-L96 HydrophobicContact CD1-CG 3.73Å
71	V	98.4	Very high	94.2	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.9	176.8	-173.4	0	0	0	0	109.6	M49 W54 S73 L76 V83 Q84 V85 V86	M49-V71 HydrophobicContact CG-CG2 4.17Å; M49-V71 CarbonylContact O-C 3.55Å; M49-V71 WeakPolarHBondContact O-CA 3.27Å; W54-V71 HydrophobicContact CB-CG1 3.87Å; W54-V71 HydrophobicContact CB-CG2 3.93Å; W54-V71 HydrophobicContact CD2-CG2 3.67Å; W54-V71 HydrophobicContact CE3-CG2 3.76Å; W54-V71 HydrophobicContact CG-CG1 4.2Å; W54-V71 HydrophobicContact CG-CG2 3.75Å; V71-S73 PolarHBondContact O-N 2.91Å; V71-L76 HydrophobicContact CB-CD2 4.09Å; V71-L76 HydrophobicContact CG1-CD2 3.71Å; V71-L76 HydrophobicContact CG2-CD2 4.47Å; V71-V83 HydrophobicContact CG2-CG1 3.69Å; V71-Q84 PolarHBondContact N-O 3.11Å; V71-V85 WeakPolarHBondContact O-CA 3.32Å; V71-V86 PolarHBondContact O-N 3.25Å
72	V	98.2	Very high	94.1	Very high	19 Å²	19	59.4 Å²	59.4	12%	0.115	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	109.2	173.6	-177.4	0	0	0	0	109.4	V48 M49 R51 V86 A92 L116	V48-V72 HydrophobicContact CG1-CG2 3.68Å; M49-V72 PolarHBondContact O-N 3.38Å; R51-V72 PolarHBondContact N-O 3.22Å; V72-V86 CarbonylContact C-O 3.51Å; V72-V86 VanDerWaalsContact CA-O 3.26Å; V72-V86 WeakPolarHBondContact CA-O 3.36Å; V72-V86 HydrophobicContact CG2-CG2 4.03Å; V72-A92 HydrophobicContact CG2-CB 4.38Å; V72-L116 HydrophobicContact CB-CD1 4.18Å; V72-L116 HydrophobicContact CB-CD2 4Å; V72-L116 HydrophobicContact CB-CG 4.42Å; V72-L116 HydrophobicContact CG1-CD2 4.13Å; V72-L116 HydrophobicContact CG2-CD1 4.06Å; V72-L116 HydrophobicContact CG2-CD2 3.87Å
73	S	97.1	Very high	94.2	Very high	15 Å²	15	58.3 Å²	58.3	11%	0.105	33%	0.332	C	S	.	.			trans	-160.6	142.2	178.7	-166.2	0	0	0	0	112	V71 T75 L76 V86	V71-S73 PolarHBondContact O-N 2.91Å; S73-T75 PolarHBondContact OG-N 3.45Å; S73-T75 VanDerWaalsContact OG-N 3.12Å; S73-T75 PolarHBondContact OG-OG1 3.01Å; S73-L76 PolarHBondContact OG-N 3.37Å; S73-V86 PolarHBondContact N-O 3.44Å
74	S	93.4	Very high	94.3	Very high	110 Å²	110	59 Å²	59	77%	0.769	33%	0.333	S	S	*	.	S	Bend	trans	-95.8	-3.3	165.8	56.4	0	0	0	0	113.4
75	T	93.9	Very high	94.3	Very high	92 Å²	92	61 Å²	61	56%	0.564	35%	0.345	S	S	*	.	S	Bend	trans	-126.9	-8.2	-170.5	66.1	0	0	0	0	113.9	R51 S73 S77	R51-T75 WeakPolarHBondContact CD-OG1 3.34Å; R51-T75 PolarHBondContact NE-OG1 2.96Å; S73-T75 PolarHBondContact OG-N 3.45Å; S73-T75 VanDerWaalsContact OG-N 3.12Å; S73-T75 PolarHBondContact OG-OG1 3.01Å; T75-S77 PolarHBondContact O-N 3.49Å; T75-S77 VanDerWaalsContact O-N 3.16Å
76	L	92.6	Very high	94.3	Very high	32 Å²	32	54.5 Å²	54.5	17%	0.168	32%	0.318	C	S	.	.			trans	-74.7	105	177.8	-175.7	65.4	0	0	0	108.8	V71 S73 A79 V85	V71-L76 HydrophobicContact CB-CD2 4.09Å; V71-L76 HydrophobicContact CG1-CD2 3.71Å; V71-L76 HydrophobicContact CG2-CD2 4.47Å; S73-L76 PolarHBondContact OG-N 3.37Å; L76-A79 HydrophobicContact CD2-CB 4.33Å; L76-V85 HydrophobicContact CB-CG1 4.22Å; L76-V85 HydrophobicContact CD2-CG1 4.4Å; L76-V85 HydrophobicContact CD2-CG2 4.02Å
77	S	85.1	Confident	94.3	Very high	101 Å²	101	53.2 Å²	53.2	71%	0.706	32%	0.317	S	S	*	.			trans	-82.6	-25.1	-174.6	54.1	0	0	0	0	113.9	T75	T75-S77 PolarHBondContact O-N 3.49Å; T75-S77 VanDerWaalsContact O-N 3.16Å
78	H	85.8	Confident	94.3	Very high	157 Å²	157	53.8 Å²	53.8	73%	0.727	33%	0.325	S	S	*	.			trans	-135.4	127.3	-176.6	-61.7	80.3	0	0	0	110
79	A	89.2	Confident	94.3	Very high	38 Å²	38	53.2 Å²	53.2	31%	0.314	32%	0.322	S	S	.	.			trans	-140.2	153.2	166	0	0	0	0	0	108.1	L76 V83 V85	L76-A79 HydrophobicContact CD2-CB 4.33Å; A79-V83 HydrophobicContact CB-CB 4Å; A79-V83 HydrophobicContact CB-CG1 4.02Å; A79-V85 HydrophobicContact CB-CG2 3.59Å
80	P	90.5	Very high	94.2	Very high	52 Å²	52	57.2 Å²	57.2	34%	0.338	34%	0.343	S	S	.	.			trans	-54.4	150.4	171.5	-24.6	34.2	0	0	0	111.6	F82 V83	P80-F82 HydrophobicContact CB-CD2 3.92Å; P80-F82 HydrophobicContact CB-CE1 4.11Å; P80-F82 HydrophobicContact CB-CE2 3.24Å; P80-F82 HydrophobicContact CB-CZ 3.39Å; P80-F82 HydrophobicContact CG-CE2 4.01Å; P80-F82 HydrophobicContact CG-CZ 4.28Å; P80-F82 PolarHBondContact O-N 2.96Å; P80-V83 HydrophobicContact CB-CG2 4.18Å; P80-V83 HydrophobicContact CG-CG2 4.24Å; P80-V83 WeakPolarHBondContact O-CB 3.39Å; P80-V83 PolarHBondContact O-N 3.43Å
81	S	87.6	Confident	94.2	Very high	116 Å²	116	58.3 Å²	58.3	81%	0.811	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.4	-172.9	52.1	0	0	0	0	115.4
82	F	90.5	Very high	94.2	Very high	120 Å²	120	58.3 Å²	58.3	53%	0.526	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	6.7	177.1	42.1	-104.4	0	0	0	113.6	P63 P80	P63-F82 HydrophobicContact CB-CD2 4.13Å; P63-F82 HydrophobicContact CB-CE2 3.99Å; P63-F82 VanDerWaalsContact CD-CE2 3.46Å; P63-F82 HydrophobicContact CG-CD2 3.62Å; P63-F82 HydrophobicContact CG-CE2 3.32Å; P63-F82 HydrophobicContact CG-CZ 4.31Å; P80-F82 HydrophobicContact CB-CD2 3.92Å; P80-F82 HydrophobicContact CB-CE1 4.11Å; P80-F82 HydrophobicContact CB-CE2 3.24Å; P80-F82 HydrophobicContact CB-CZ 3.39Å; P80-F82 HydrophobicContact CG-CE2 4.01Å; P80-F82 HydrophobicContact CG-CZ 4.28Å; P80-F82 PolarHBondContact O-N 2.96Å
83	V	97.1	Very high	94.2	Very high	10 Å²	10	57.6 Å²	57.6	6%	0.061	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.5	173.9	179.9	0	0	0	0	108.7	W54 P63 N69 V71 A79 P80	W54-V83 HydrophobicContact CH2-CG1 4.22Å; W54-V83 HydrophobicContact CH2-CG2 3.63Å; W54-V83 HydrophobicContact CZ2-CG1 4.42Å; W54-V83 HydrophobicContact CZ2-CG2 4.19Å; W54-V83 HydrophobicContact CZ3-CG1 4.38Å; W54-V83 HydrophobicContact CZ3-CG2 4.26Å; P63-V83 HydrophobicContact CB-CG2 3.94Å; N69-V83 HydrophobicContact CB-CG1 4.3Å; N69-V83 HydrophobicContact CB-CG2 4.2Å; V71-V83 HydrophobicContact CG2-CG1 3.69Å; A79-V83 HydrophobicContact CB-CB 4Å; A79-V83 HydrophobicContact CB-CG1 4.02Å; P80-V83 HydrophobicContact CB-CG2 4.18Å; P80-V83 HydrophobicContact CG-CG2 4.24Å; P80-V83 WeakPolarHBondContact O-CB 3.39Å; P80-V83 PolarHBondContact O-N 3.43Å
84	Q	97.2	Very high	94.2	Very high	44 Å²	44	62 Å²	62	21%	0.206	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.2	-179.5	-52.1	-56.4	-39.8	0	0	109.5	N69 I70 V71 L95 F101	N69-Q84 PolarHBondContact O-N 2.87Å; I70-Q84 CarbonylContact C-O 3.52Å; I70-Q84 WeakPolarHBondContact CA-O 3.2Å; I70-Q84 HydrophobicContact CB-CB 4.47Å; I70-Q84 HydrophobicContact CG1-CB 4.11Å; I70-Q84 HydrophobicContact CG1-CG 4.46Å; I70-Q84 HydrophobicContact CG2-CB 4.32Å; V71-Q84 PolarHBondContact N-O 3.11Å; Q84-L95 HydrophobicContact CB-CD2 3.58Å; Q84-L95 HydrophobicContact CG-CD2 3.8Å; Q84-F101 HydrophobicContact CG-CE2 4.38Å; Q84-F101 HydrophobicContact CG-CZ 3.86Å
85	V	97.6	Very high	94.4	Very high	57 Å²	57	58.2 Å²	58.2	35%	0.345	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.3	177.2	-174.4	0	0	0	0	108.8	V71 L76 A79	V71-V85 WeakPolarHBondContact O-CA 3.32Å; L76-V85 HydrophobicContact CB-CG1 4.22Å; L76-V85 HydrophobicContact CD2-CG1 4.4Å; L76-V85 HydrophobicContact CD2-CG2 4.02Å; A79-V85 HydrophobicContact CB-CG2 3.59Å
86	V	97.4	Very high	94.6	Very high	17 Å²	17	53.9 Å²	53.9	10%	0.103	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	153.8	-174.4	-63.1	0	0	0	0	110.9	I70 V71 V72 S73 A91 A92 L95	I70-V86 HydrophobicContact CG2-CG1 4.47Å; I70-V86 HydrophobicContact CG2-CG2 3.6Å; V71-V86 PolarHBondContact O-N 3.25Å; V72-V86 CarbonylContact C-O 3.51Å; V72-V86 VanDerWaalsContact CA-O 3.26Å; V72-V86 WeakPolarHBondContact CA-O 3.36Å; V72-V86 HydrophobicContact CG2-CG2 4.03Å; S73-V86 PolarHBondContact N-O 3.44Å; V86-A91 HydrophobicContact CB-CB 4.01Å; V86-A92 HydrophobicContact CG2-CB 3.77Å; V86-L95 HydrophobicContact CG1-CD2 4.01Å
87	P	96.7	Very high	94.8	Very high	94 Å²	94	57.9 Å²	57.9	61%	0.61	33%	0.329	S	S	*	.	S	Bend	trans	-80.9	-16.8	-170.8	30.5	-37	0	0	0	115.1	A91	P87-A91 HydrophobicContact CG-CB 4.02Å
88	S	97.4	Very high	95.3	Very high	39 Å²	39	55.5 Å²	55.5	27%	0.273	31%	0.308	S	S	.	.	S	Bend	trans	-153.1	168.8	-175.1	64.9	0	0	0	0	112.5	N90 A91 A92	S88-N90 VanDerWaalsContact C-N 3.33Å; S88-A91 PolarHBondContact O-N 3.24Å; S88-A91 WeakPolarHBondContact OG-CB 3.19Å; S88-A91 PolarHBondContact OG-N 3.16Å; S88-A91 VanDerWaalsContact OG-N 3.12Å; S88-A92 PolarHBondContact O-N 3.11Å; S88-A92 VanDerWaalsContact O-N 3.12Å
89	L	97.5	Very high	95.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-41.2	172	178.9	59.2	0	0	0	111.4	L3 V48 A91 A92 I93 I110 L116 E119 A120	L3-L89 HydrophobicContact CD1-CD2 4.33Å; V48-L89 HydrophobicContact CG1-CD1 4.27Å; L89-A91 VanDerWaalsContact C-N 3.33Å; L89-A91 PolarHBondContact O-N 2.84Å; L89-A92 VanDerWaalsContact O-CB 3.3Å; L89-A92 WeakPolarHBondContact O-CB 3.23Å; L89-A92 PolarHBondContact O-N 3.1Å; L89-A92 VanDerWaalsContact O-N 3.11Å; L89-I93 HydrophobicContact CD1-CD1 4.33Å; L89-I93 HydrophobicContact CG-CD1 4.06Å; L89-I93 WeakPolarHBondContact O-CG1 3.23Å; L89-I93 PolarHBondContact O-N 2.91Å; L89-I110 HydrophobicContact CD1-CD1 3.68Å; L89-L116 HydrophobicContact CB-CD2 4.08Å; L89-L116 HydrophobicContact CD1-CD2 4.48Å; L89-E119 VanDerWaalsContact CB-CD 3.43Å; L89-E119 HydrophobicContact CB-CG 4.12Å; L89-E119 WeakPolarHBondContact CB-OE1 3.31Å; L89-E119 HydrophobicContact CD2-CB 4.11Å; L89-E119 HydrophobicContact CD2-CG 3.91Å; L89-A120 HydrophobicContact CD2-CB 3.97Å
90	N	97.2	Very high	95.9	Very high	87 Å²	87	60.7 Å²	60.7	47%	0.465	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-43.6	177.1	-70.9	-12.9	0	0	0	111.6	S88 A92 I93 D94	S88-N90 VanDerWaalsContact C-N 3.33Å; N90-A92 VanDerWaalsContact C-N 3.27Å; N90-A92 PolarHBondContact O-N 2.85Å; N90-I93 WeakPolarHBondContact O-CB 3.49Å; N90-I93 PolarHBondContact O-N 2.88Å; N90-I93 VanDerWaalsContact O-N 3.07Å; N90-D94 VanDerWaalsContact O-CG 3.3Å; N90-D94 PolarHBondContact O-N 2.8Å
91	A	97.7	Very high	96.2	Very high	24 Å²	24	58.7 Å²	58.7	20%	0.198	31%	0.312	C	S	.	.	H	α-helix	trans	-64	-32.7	175.7	0	0	0	0	0	112.6	V86 P87 S88 L89 I93 L95	V86-A91 HydrophobicContact CB-CB 4.01Å; P87-A91 HydrophobicContact CG-CB 4.02Å; S88-A91 PolarHBondContact O-N 3.24Å; S88-A91 WeakPolarHBondContact OG-CB 3.19Å; S88-A91 PolarHBondContact OG-N 3.16Å; S88-A91 VanDerWaalsContact OG-N 3.12Å; L89-A91 VanDerWaalsContact C-N 3.33Å; L89-A91 PolarHBondContact O-N 2.84Å; A91-I93 VanDerWaalsContact C-N 3.34Å; A91-L95 VanDerWaalsContact O-CB 3.29Å; A91-L95 WeakPolarHBondContact O-CB 3.11Å; A91-L95 PolarHBondContact O-N 3.37Å
92	A	98.1	Very high	96.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-40	172	0	0	0	0	0	111.9	V48 I70 V72 V86 S88 L89 N90 L96	V48-A92 HydrophobicContact CG1-CB 3.98Å; V48-A92 HydrophobicContact CG2-CB 4.43Å; I70-A92 HydrophobicContact CG2-CB 3.84Å; V72-A92 HydrophobicContact CG2-CB 4.38Å; V86-A92 HydrophobicContact CG2-CB 3.77Å; S88-A92 PolarHBondContact O-N 3.11Å; S88-A92 VanDerWaalsContact O-N 3.12Å; L89-A92 VanDerWaalsContact O-CB 3.3Å; L89-A92 WeakPolarHBondContact O-CB 3.23Å; L89-A92 PolarHBondContact O-N 3.1Å; L89-A92 VanDerWaalsContact O-N 3.11Å; N90-A92 VanDerWaalsContact C-N 3.27Å; N90-A92 PolarHBondContact O-N 2.85Å; A92-L96 WeakPolarHBondContact O-CG 3.34Å; A92-L96 PolarHBondContact O-N 3.01Å
93	I	97.7	Very high	96.9	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	30%	0.298	C	S	.	.	H	α-helix	trans	-69.4	-47.1	178.2	-67.2	165.9	0	0	0	110.6	M1 L3 L89 N90 A91 L95 L96 Y97 Y126	M1-I93 HydrophobicContact SD-CG2 3.96Å; L3-I93 HydrophobicContact CD1-CD1 4.45Å; L3-I93 HydrophobicContact CD2-CD1 4.13Å; L3-I93 HydrophobicContact CD2-CG1 4.43Å; L89-I93 HydrophobicContact CD1-CD1 4.33Å; L89-I93 HydrophobicContact CG-CD1 4.06Å; L89-I93 WeakPolarHBondContact O-CG1 3.23Å; L89-I93 PolarHBondContact O-N 2.91Å; N90-I93 WeakPolarHBondContact O-CB 3.49Å; N90-I93 PolarHBondContact O-N 2.88Å; N90-I93 VanDerWaalsContact O-N 3.07Å; A91-I93 VanDerWaalsContact C-N 3.34Å; I93-L95 VanDerWaalsContact C-N 3.28Å; I93-L95 PolarHBondContact O-N 2.89Å; I93-L96 PolarHBondContact O-N 2.86Å; I93-Y97 HydrophobicContact CG2-CD2 3.79Å; I93-Y97 HydrophobicContact CG2-CE2 3.57Å; I93-Y97 VanDerWaalsContact O-CD2 3.27Å; I93-Y97 WeakPolarHBondContact O-CD2 3.36Å; I93-Y97 PolarHBondContact O-N 2.85Å; I93-Y97 VanDerWaalsContact O-N 3.17Å; I93-Y126 HydrophobicContact CD1-CD2 4.07Å; I93-Y126 HydrophobicContact CD1-CE2 3.76Å; I93-Y126 HydrophobicContact CG2-CE2 4.03Å; I93-Y126 WeakPolarHBondContact CG2-OH 3.27Å
94	D	97.7	Very high	96.9	Very high	107 Å²	107	57.1 Å²	57.1	57%	0.572	31%	0.311	S	S	*	.	H	α-helix	trans	-59	-40.8	177.4	-66.4	-22.5	0	0	0	111.4	N90 L96 Y97 N98	N90-D94 VanDerWaalsContact O-CG 3.3Å; N90-D94 PolarHBondContact O-N 2.8Å; D94-L96 VanDerWaalsContact C-N 3.31Å; D94-L96 PolarHBondContact O-N 2.76Å; D94-Y97 PolarHBondContact O-N 2.7Å; D94-Y97 VanDerWaalsContact O-N 3.13Å; D94-N98 PolarHBondContact O-N 3.03Å
95	L	97.6	Very high	96.9	Very high	32 Å²	32	56 Å²	56	17%	0.168	31%	0.307	C	S	.	.	H	α-helix	trans	-57.4	-44.4	173.9	-177.5	70.6	0	0	0	111.4	I70 Q84 V86 A91 I93 Y97 N98 F101	I70-L95 HydrophobicContact CD1-CD2 4.26Å; Q84-L95 HydrophobicContact CB-CD2 3.58Å; Q84-L95 HydrophobicContact CG-CD2 3.8Å; V86-L95 HydrophobicContact CG1-CD2 4.01Å; A91-L95 VanDerWaalsContact O-CB 3.29Å; A91-L95 WeakPolarHBondContact O-CB 3.11Å; A91-L95 PolarHBondContact O-N 3.37Å; I93-L95 VanDerWaalsContact C-N 3.28Å; I93-L95 PolarHBondContact O-N 2.89Å; L95-Y97 PolarHBondContact O-N 3.24Å; L95-N98 WeakPolarHBondContact O-CB 3.21Å; L95-N98 PolarHBondContact O-N 3.02Å; L95-N98 VanDerWaalsContact O-N 3.12Å; L95-N98 PolarHBondContact O-OD1 2.9Å; L95-F101 HydrophobicContact CD1-CD2 4.02Å; L95-F101 HydrophobicContact CD1-CE2 3.79Å; L95-F101 HydrophobicContact CD2-CD2 4.46Å; L95-F101 HydrophobicContact CD2-CE2 4.13Å; L95-F101 HydrophobicContact CG-CD2 3.79Å; L95-F101 HydrophobicContact CG-CE2 3.81Å; L95-F101 WeakPolarHBondContact O-CD2 3.43Å
96	L	97.9	Very high	96.9	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-70.3	-17.2	-179.8	-69.1	174.1	0	0	0	113.7	M1 A46 I68 I70 A92 I93 D94 F101 S102 V105 V108	M1-L96 HydrophobicContact CE-CB 4.09Å; A46-L96 HydrophobicContact CB-CD1 3.71Å; A46-L96 HydrophobicContact CB-CD2 3.8Å; A46-L96 HydrophobicContact CB-CG 4.41Å; I68-L96 HydrophobicContact CG2-CD2 4.46Å; I70-L96 HydrophobicContact CD1-CD1 3.9Å; I70-L96 HydrophobicContact CD1-CD2 3.72Å; I70-L96 HydrophobicContact CD1-CG 3.73Å; A92-L96 WeakPolarHBondContact O-CG 3.34Å; A92-L96 PolarHBondContact O-N 3.01Å; I93-L96 PolarHBondContact O-N 2.86Å; D94-L96 VanDerWaalsContact C-N 3.31Å; D94-L96 PolarHBondContact O-N 2.76Å; L96-F101 HydrophobicContact CD2-CB 4.08Å; L96-F101 HydrophobicContact CD2-CG 4.34Å; L96-S102 WeakPolarHBondContact O-CA 3.42Å; L96-S102 PolarHBondContact O-N 2.67Å; L96-V105 HydrophobicContact CD2-CB 4.21Å; L96-V105 HydrophobicContact CD2-CG2 3.91Å; L96-V108 HydrophobicContact CD1-CB 4.35Å; L96-V108 HydrophobicContact CD1-CG1 3.89Å; L96-V108 HydrophobicContact CD1-CG2 3.53Å
97	Y	96.5	Very high	96.9	Very high	116 Å²	116	56.8 Å²	56.8	46%	0.455	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.1	172.3	-80.1	-65.1	0	0	0	113.9	M1 I93 D94 L95 Y126	M1-Y97 WeakPolarHBondContact CB-OH 3.4Å; M1-Y97 HydrophobicContact CE-CD2 4.16Å; M1-Y97 HydrophobicContact CE-CE1 4.22Å; M1-Y97 HydrophobicContact CE-CE2 3.69Å; M1-Y97 HydrophobicContact SD-CE2 4.11Å; I93-Y97 HydrophobicContact CG2-CD2 3.79Å; I93-Y97 HydrophobicContact CG2-CE2 3.57Å; I93-Y97 VanDerWaalsContact O-CD2 3.27Å; I93-Y97 WeakPolarHBondContact O-CD2 3.36Å; I93-Y97 PolarHBondContact O-N 2.85Å; I93-Y97 VanDerWaalsContact O-N 3.17Å; D94-Y97 PolarHBondContact O-N 2.7Å; D94-Y97 VanDerWaalsContact O-N 3.13Å; L95-Y97 PolarHBondContact O-N 3.24Å; Y97-Y126 HydrophobicContact CE2-CE1 4.38Å
98	N	96.1	Very high	97	Very high	51 Å²	51	52.4 Å²	52.4	27%	0.273	28%	0.278	S	S	.	.	S	Bend	trans	-71.9	168.5	-179.8	83.7	0.6	0	0	0	112.3	D94 L95 E100 F101 S102	D94-N98 PolarHBondContact O-N 3.03Å; L95-N98 WeakPolarHBondContact O-CB 3.21Å; L95-N98 PolarHBondContact O-N 3.02Å; L95-N98 VanDerWaalsContact O-N 3.12Å; L95-N98 PolarHBondContact O-OD1 2.9Å; N98-E100 PolarHBondContact O-N 2.84Å; N98-E100 WeakPolarHBondContact OD1-CA 3.36Å; N98-E100 WeakPolarHBondContact OD1-CB 3.39Å; N98-E100 PolarHBondContact OD1-N 2.96Å; N98-F101 PolarHBondContact O-N 2.93Å; N98-F101 VanDerWaalsContact OD1-CD2 3.31Å; N98-F101 WeakPolarHBondContact OD1-CD2 3.48Å; N98-F101 PolarHBondContact OD1-N 3.5Å; N98-S102 WeakPolarHBondContact O-CB 3.21Å; N98-S102 PolarHBondContact O-N 2.77Å; N98-S102 PolarHBondContact O-OG 3.04Å
99	E	93.8	Very high	97.1	Very high	184 Å²	184	50.6 Å²	50.6	86%	0.86	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.9	-179.1	-65.4	-175.5	166.6	0	0	113.6
100	E	94.3	Very high	97.2	Very high	119 Å²	119	50.5 Å²	50.5	56%	0.556	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-39.7	-179.4	-173.9	-176.8	177	0	0	112.3	N98	N98-E100 PolarHBondContact O-N 2.84Å; N98-E100 WeakPolarHBondContact OD1-CA 3.36Å; N98-E100 WeakPolarHBondContact OD1-CB 3.39Å; N98-E100 PolarHBondContact OD1-N 2.96Å
101	F	96.7	Very high	97.2	Very high	11 Å²	11	47.1 Å²	47.1	5%	0.048	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-29.8	-172.9	-66.2	-70.2	0	0	0	114.3	I68 Q84 L95 L96 N98 S103 I104 V105	I68-F101 HydrophobicContact CD1-CD1 4.05Å; I68-F101 HydrophobicContact CG1-CD1 4.44Å; I68-F101 HydrophobicContact CG2-CD1 3.94Å; I68-F101 HydrophobicContact CG2-CE1 3.78Å; Q84-F101 HydrophobicContact CG-CE2 4.38Å; Q84-F101 HydrophobicContact CG-CZ 3.86Å; L95-F101 HydrophobicContact CD1-CD2 4.02Å; L95-F101 HydrophobicContact CD1-CE2 3.79Å; L95-F101 HydrophobicContact CD2-CD2 4.46Å; L95-F101 HydrophobicContact CD2-CE2 4.13Å; L95-F101 HydrophobicContact CG-CD2 3.79Å; L95-F101 HydrophobicContact CG-CE2 3.81Å; L95-F101 WeakPolarHBondContact O-CD2 3.43Å; L96-F101 HydrophobicContact CD2-CB 4.08Å; L96-F101 HydrophobicContact CD2-CG 4.34Å; N98-F101 PolarHBondContact O-N 2.93Å; N98-F101 VanDerWaalsContact OD1-CD2 3.31Å; N98-F101 WeakPolarHBondContact OD1-CD2 3.48Å; N98-F101 PolarHBondContact OD1-N 3.5Å; F101-S103 PolarHBondContact O-N 3.11Å; F101-I104 HydrophobicContact CD1-CD1 4.04Å; F101-I104 HydrophobicContact CD1-CG1 4.42Å; F101-I104 WeakPolarHBondContact O-CG1 3.36Å; F101-I104 PolarHBondContact O-N 2.93Å; F101-V105 WeakPolarHBondContact O-CG1 3.29Å; F101-V105 PolarHBondContact O-N 2.73Å
102	S	96.1	Very high	97.1	Very high	63 Å²	63	46.2 Å²	46.2	44%	0.441	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.8	-173.1	57	0	0	0	0	114.4	L96 N98	L96-S102 WeakPolarHBondContact O-CA 3.42Å; L96-S102 PolarHBondContact O-N 2.67Å; N98-S102 WeakPolarHBondContact O-CB 3.21Å; N98-S102 PolarHBondContact O-N 2.77Å; N98-S102 PolarHBondContact O-OG 3.04Å
103	S	95.9	Very high	96.8	Very high	86 Å²	86	47.2 Å²	47.2	60%	0.601	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-10.8	177.8	62.4	0	0	0	0	114.5	L43 F101	L43-S103 WeakPolarHBondContact CD2-O 3.4Å; F101-S103 PolarHBondContact O-N 3.11Å
104	I	96.8	Very high	96.6	Very high	63 Å²	63	51.6 Å²	51.6	32%	0.323	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-15.9	-175.1	63.6	164.7	0	0	0	113.9	L43 K44 I68 F101	L43-I104 CarbonylContact C-O 3.54Å; L43-I104 WeakPolarHBondContact CA-O 3.3Å; K44-I104 PolarHBondContact N-O 3.37Å; I68-I104 HydrophobicContact CD1-CD1 4.21Å; I68-I104 HydrophobicContact CD1-CG1 4.24Å; F101-I104 HydrophobicContact CD1-CD1 4.04Å; F101-I104 HydrophobicContact CD1-CG1 4.42Å; F101-I104 WeakPolarHBondContact O-CG1 3.36Å; F101-I104 PolarHBondContact O-N 2.93Å
105	V	98	Very high	96.5	Very high	21 Å²	21	56.8 Å²	56.8	13%	0.127	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.5	177.2	70	0	0	0	0	110.7	K44 A46 I68 L96 F101	K44-V105 CarbonylContact O-C 3.13Å; K44-V105 VanDerWaalsContact O-CA 3.31Å; K44-V105 WeakPolarHBondContact O-CA 3.41Å; A46-V105 HydrophobicContact CB-CG2 3.94Å; I68-V105 HydrophobicContact CD1-CB 4.06Å; I68-V105 HydrophobicContact CD1-CG2 4.26Å; L96-V105 HydrophobicContact CD2-CB 4.21Å; L96-V105 HydrophobicContact CD2-CG2 3.91Å; F101-V105 WeakPolarHBondContact O-CG1 3.29Å; F101-V105 PolarHBondContact O-N 2.73Å
106	D	98.1	Very high	96.4	Very high	43 Å²	43	55.6 Å²	55.6	23%	0.23	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-77.4	173.4	-170.9	16.3	0	0	0	110.8	A39 H40 L43 K44 N45	A39-D106 WeakPolarHBondContact CA-OD2 3.34Å; A39-D106 HydrophobicContact CB-CB 4.06Å; H40-D106 IonicContact CE1-OD1 2.78Å; H40-D106 IonicContact CE1-OD2 3.83Å; H40-D106 IonicContact CG-OD1 4Å; H40-D106 IonicContact CG-OD2 3.27Å; H40-D106 PolarHBondContact N-OD2 2.98Å; H40-D106 IonicContact ND1-OD1 3.78Å; H40-D106 PolarHBondContact ND1-OD1 2.78Å; H40-D106 IonicContact ND1-OD2 2.67Å; H40-D106 PolarHBondContact ND1-OD2 2.9Å; L43-D106 HydrophobicContact CB-CB 3.77Å; L43-D106 HydrophobicContact CD1-CB 3.94Å; K44-D106 PolarHBondContact O-N 3.27Å; N45-D106 WeakPolarHBondContact OD1-CB 3.23Å
107	E	98	Very high	96.4	Very high	47 Å²	47	56.1 Å²	56.1	22%	0.22	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	156.4	176.6	-64.6	-159.3	115.5	0	0	113.1	R2 N4 N45 A46 F109	R2-E107 IonicContact CZ-OE1 2.83Å; R2-E107 IonicContact NH2-OE1 3.98Å; R2-E107 PolarHBondContact NH2-OE1 2.86Å; N4-E107 PolarHBondContact ND2-OE1 3.05Å; N45-E107 CarbonylContact C-O 3.59Å; N45-E107 WeakPolarHBondContact CA-O 3.36Å; N45-E107 PolarHBondContact OD1-N 3.17Å; N45-E107 VanDerWaalsContact OD1-N 3.09Å; A46-E107 PolarHBondContact N-O 3.03Å; E107-F109 HydrophobicContact CB-CD2 4.39Å; E107-F109 HydrophobicContact CB-CE2 3.67Å; E107-F109 HydrophobicContact CB-CZ 4.17Å; E107-F109 WeakPolarHBondContact OE2-CZ 3.35Å
108	V	98.5	Very high	96.4	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.9	178	-172.1	0	0	0	0	110	M1 L3 N4 V48 L96 I110	M1-V108 HydrophobicContact CE-CG2 3.95Å; M1-V108 HydrophobicContact CG-CG2 3.94Å; M1-V108 HydrophobicContact SD-CG2 3.71Å; L3-V108 HydrophobicContact CD2-CG1 4.35Å; N4-V108 WeakPolarHBondContact CB-O 3.36Å; N4-V108 PolarHBondContact N-O 2.84Å; N4-V108 PolarHBondContact ND2-O 3.25Å; V48-V108 HydrophobicContact CG2-CG1 3.84Å; L96-V108 HydrophobicContact CD1-CB 4.35Å; L96-V108 HydrophobicContact CD1-CG1 3.89Å; L96-V108 HydrophobicContact CD1-CG2 3.53Å; V108-I110 HydrophobicContact CG1-CD1 4.36Å
109	F	98.8	Very high	96.4	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.8	178.3	-66.8	-88	0	0	0	111.5	N4 V6 V35 T36 N45 A46 V47 V48 E107 I111 Y131	N4-F109 HydrophobicContact CB-CD1 3.36Å; N4-F109 HydrophobicContact CB-CE1 3.49Å; N4-F109 VanDerWaalsContact CB-CE1 3.49Å; N4-F109 HydrophobicContact CB-CG 4.11Å; N4-F109 HydrophobicContact CB-CZ 4.3Å; N4-F109 CarbonylContact O-C 3.47Å; N4-F109 WeakPolarHBondContact O-CA 3.39Å; V6-F109 HydrophobicContact CG2-CB 4.38Å; V6-F109 HydrophobicContact CG2-CD1 3.47Å; V6-F109 VanDerWaalsContact CG2-CD1 3.47Å; V6-F109 HydrophobicContact CG2-CE1 4.22Å; V6-F109 HydrophobicContact CG2-CG 4.33Å; V35-F109 HydrophobicContact CG1-CD1 4.2Å; V35-F109 HydrophobicContact CG1-CE1 3.49Å; V35-F109 VanDerWaalsContact CG1-CE1 3.49Å; V35-F109 HydrophobicContact CG1-CZ 4.12Å; V35-F109 VanDerWaalsContact O-CZ 3.29Å; V35-F109 WeakPolarHBondContact O-CZ 3.3Å; T36-F109 HydrophobicContact CG2-CB 4.1Å; T36-F109 HydrophobicContact CG2-CD1 4.14Å; T36-F109 HydrophobicContact CG2-CD2 4.48Å; T36-F109 HydrophobicContact CG2-CG 3.98Å; N45-F109 HydrophobicContact CB-CD2 3.92Å; N45-F109 HydrophobicContact CB-CE2 3.82Å; N45-F109 WeakPolarHBondContact ND2-CE2 3.46Å; A46-F109 PolarHBondContact O-N 2.96Å; V47-F109 CarbonylContact C-O 3.54Å; V47-F109 WeakPolarHBondContact CA-O 3.35Å; V47-F109 HydrophobicContact CG1-CB 4.31Å; V48-F109 PolarHBondContact N-O 2.97Å; E107-F109 HydrophobicContact CB-CD2 4.39Å; E107-F109 HydrophobicContact CB-CE2 3.67Å; E107-F109 HydrophobicContact CB-CZ 4.17Å; E107-F109 WeakPolarHBondContact OE2-CZ 3.35Å; F109-I111 HydrophobicContact CB-CG2 3.91Å; F109-Y131 HydrophobicContact CE1-CD2 4.41Å; F109-Y131 HydrophobicContact CE1-CE2 4.14Å
110	I	98.7	Very high	96.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	111.1	170.1	-46.6	-53.6	0	0	0	106.9	L3 N4 V5 V6 V48 L89 V108 L116 Y117 A120	L3-I110 HydrophobicContact CB-CG1 4.43Å; N4-I110 PolarHBondContact O-N 2.79Å; V5-I110 WeakPolarHBondContact CA-O 3.37Å; V5-I110 HydrophobicContact CG2-CB 4.28Å; V6-I110 PolarHBondContact N-O 3.46Å; V48-I110 HydrophobicContact CB-CD1 3.75Å; V48-I110 HydrophobicContact CG1-CD1 4.27Å; V48-I110 HydrophobicContact CG2-CD1 4.06Å; L89-I110 HydrophobicContact CD1-CD1 3.68Å; V108-I110 HydrophobicContact CG1-CD1 4.36Å; I110-L116 HydrophobicContact CG2-CB 3.96Å; I110-Y117 HydrophobicContact CG2-CD1 4Å; I110-Y117 HydrophobicContact CG2-CE1 4.31Å; I110-A120 HydrophobicContact CG1-CB 3.97Å; I110-A120 HydrophobicContact CG2-CB 4.36Å
111	I	98.3	Very high	96.5	Very high	16 Å²	16	42.3 Å²	42.3	8%	0.082	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-3.8	-164.6	68	156.6	0	0	0	115	F32 T36 V47 V48 M49 L64 F109 Y117	F32-I111 HydrophobicContact CE2-CB 3.76Å; F32-I111 HydrophobicContact CE2-CD1 4.28Å; F32-I111 HydrophobicContact CE2-CG2 3.65Å; F32-I111 HydrophobicContact CZ-CB 4.17Å; F32-I111 HydrophobicContact CZ-CD1 3.81Å; F32-I111 HydrophobicContact CZ-CG2 4.09Å; T36-I111 HydrophobicContact CG2-CG2 4.11Å; V47-I111 HydrophobicContact CB-CD1 4.17Å; V47-I111 HydrophobicContact CB-CG1 4.44Å; V47-I111 HydrophobicContact CB-CG2 4.02Å; V47-I111 HydrophobicContact CG1-CG2 3.89Å; V48-I111 PolarHBondContact O-N 2.77Å; M49-I111 HydrophobicContact CB-CD1 4.05Å; M49-I111 HydrophobicContact CB-CG1 3.65Å; M49-I111 HydrophobicContact CE-CD1 3.66Å; M49-I111 HydrophobicContact CE-CG1 4.41Å; M49-I111 HydrophobicContact SD-CD1 4.01Å; L64-I111 HydrophobicContact CD1-CD1 3.61Å; F109-I111 HydrophobicContact CB-CG2 3.91Å; I111-Y117 PolarHBondContact O-OH 2.91Å; I111-Y117 VanDerWaalsContact O-OH 3.04Å
112	G	94.6	Very high	96.4	Very high	4 Å²	4	49.2 Å²	49.2	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170	155	-177.8	0	0	0	0	0	117.3	G50 Y117	G50-G112 PolarHBondContact N-O 3.48Å; G112-Y117 VanDerWaalsContact CA-CZ 3.46Å; G112-Y117 VanDerWaalsContact CA-OH 3.32Å; G112-Y117 WeakPolarHBondContact CA-OH 3.37Å; G112-Y117 PolarHBondContact N-OH 3.38Å
113	G	92.1	Very high	96.2	Very high	22 Å²	22	48 Å²	48	23%	0.227	23%	0.23	C	C	.	.			trans	98.8	119.5	-178.3	0	0	0	0	0	110.5	T53 R115 L116 Y117	T53-G113 PolarHBondContact OG1-N 3.21Å; T53-G113 VanDerWaalsContact OG1-N 3.12Å; G113-R115 PolarHBondContact O-N 3.46Å; G113-R115 VanDerWaalsContact O-N 3.07Å; G113-L116 PolarHBondContact O-N 2.86Å; G113-Y117 PolarHBondContact O-N 3.43Å
114	Y	94.3	Very high	96.1	Very high	95 Å²	95	47.3 Å²	47.3	37%	0.373	23%	0.225	S	C	.	.	H	α-helix	trans	-45.5	-43.9	177.3	163.2	-102.4	0	0	0	112.9	L116 Y117 K118 Y144 P146	Y114-L116 PolarHBondContact O-N 3.45Å; Y114-Y117 PolarHBondContact O-N 3.39Å; Y114-K118 HydrophobicContact CE1-CD 4.11Å; Y114-K118 HydrophobicContact CE2-CD 4.49Å; Y114-K118 VanDerWaalsContact O-CB 3.27Å; Y114-K118 WeakPolarHBondContact O-CB 3.29Å; Y114-K118 PolarHBondContact O-N 3.28Å; Y114-K118 WeakPolarHBondContact OH-CD 3.5Å; Y114-K118 PolarHBondContact OH-NZ 3.36Å; Y114-K118 VanDerWaalsContact OH-NZ 3.11Å; Y114-Y144 VanDerWaalsContact CD2-O 3.26Å; Y114-Y144 WeakPolarHBondContact CD2-O 3.5Å; Y114-P146 HydrophobicContact CD2-CG 3.99Å; Y114-P146 HydrophobicContact CE2-CB 4.44Å; Y114-P146 HydrophobicContact CE2-CG 4.04Å
115	R	94.8	Very high	95.9	Very high	216 Å²	216	50.2 Å²	50.2	82%	0.815	24%	0.24	S	C	*	.	H	α-helix	trans	-60.5	-46	-179.4	-68.3	-174.4	176.5	-158.4	-0.6	112.3	G113 K118 E119	G113-R115 PolarHBondContact O-N 3.46Å; G113-R115 VanDerWaalsContact O-N 3.07Å; R115-K118 PolarHBondContact O-N 3.14Å; R115-E119 PolarHBondContact O-N 3.15Å
116	L	96.3	Very high	95.8	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-69.9	-42.3	179	-82.3	-172.5	0	0	0	112.4	V48 G50 V72 L89 I110 G113 Y114 K118 E119 A120	V48-L116 HydrophobicContact CG1-CD1 4.08Å; G50-L116 VanDerWaalsContact N-CD1 3.26Å; V72-L116 HydrophobicContact CB-CD1 4.18Å; V72-L116 HydrophobicContact CB-CD2 4Å; V72-L116 HydrophobicContact CB-CG 4.42Å; V72-L116 HydrophobicContact CG1-CD2 4.13Å; V72-L116 HydrophobicContact CG2-CD1 4.06Å; V72-L116 HydrophobicContact CG2-CD2 3.87Å; L89-L116 HydrophobicContact CB-CD2 4.08Å; L89-L116 HydrophobicContact CD1-CD2 4.48Å; I110-L116 HydrophobicContact CG2-CB 3.96Å; G113-L116 PolarHBondContact O-N 2.86Å; Y114-L116 PolarHBondContact O-N 3.45Å; L116-K118 VanDerWaalsContact C-N 3.26Å; L116-K118 PolarHBondContact O-N 3.19Å; L116-E119 PolarHBondContact O-N 2.82Å; L116-A120 WeakPolarHBondContact O-CB 3.49Å; L116-A120 PolarHBondContact O-N 2.87Å
117	Y	97.3	Very high	95.8	Very high	13 Å²	13	52.4 Å²	52.4	5%	0.051	25%	0.251	C	S	.	.	H	α-helix	trans	-57.6	-44.7	173.8	-66.6	-35.9	0	0	0	111.1	V5 V6 V7 I15 I110 I111 G112 G113 Y114 E119 A120 L121 F145	V5-Y117 HydrophobicContact CG1-CD1 3.66Å; V5-Y117 HydrophobicContact CG1-CE1 3.71Å; V6-Y117 PolarHBondContact O-OH 3.02Å; V7-Y117 HydrophobicContact CB-CE2 4.42Å; V7-Y117 HydrophobicContact CG2-CE2 3.91Å; I15-Y117 HydrophobicContact CD1-CD2 3.9Å; I15-Y117 HydrophobicContact CD1-CE2 3.84Å; I110-Y117 HydrophobicContact CG2-CD1 4Å; I110-Y117 HydrophobicContact CG2-CE1 4.31Å; I111-Y117 PolarHBondContact O-OH 2.91Å; I111-Y117 VanDerWaalsContact O-OH 3.04Å; G112-Y117 VanDerWaalsContact CA-CZ 3.46Å; G112-Y117 VanDerWaalsContact CA-OH 3.32Å; G112-Y117 WeakPolarHBondContact CA-OH 3.37Å; G112-Y117 PolarHBondContact N-OH 3.38Å; G113-Y117 PolarHBondContact O-N 3.43Å; Y114-Y117 PolarHBondContact O-N 3.39Å; Y117-E119 VanDerWaalsContact C-N 3.34Å; Y117-E119 PolarHBondContact O-N 3.28Å; Y117-A120 PolarHBondContact O-N 2.84Å; Y117-L121 VanDerWaalsContact O-CB 3.32Å; Y117-L121 WeakPolarHBondContact O-CB 3.37Å; Y117-L121 WeakPolarHBondContact O-CD1 3.43Å; Y117-L121 WeakPolarHBondContact O-CG 3.45Å; Y117-L121 PolarHBondContact O-N 2.92Å; Y117-F145 HydrophobicContact CD1-CE2 4.35Å; Y117-F145 AromaticContact CD2-CD2 3.89Å; Y117-F145 HydrophobicContact CD2-CD2 3.89Å; Y117-F145 AromaticContact CD2-CE2 3.84Å; Y117-F145 HydrophobicContact CD2-CE2 3.84Å; Y117-F145 HydrophobicContact CE2-CD2 4.34Å; Y117-F145 HydrophobicContact CE2-CE2 4.31Å; Y117-F145 HydrophobicContact CG-CD2 4.33Å; Y117-F145 AromaticContact CG-CE2 3.85Å; Y117-F145 HydrophobicContact CG-CE2 3.85Å
118	K	96.4	Very high	95.7	Very high	75 Å²	75	50.5 Å²	50.5	33%	0.326	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-42.4	178.9	-174.8	-178.7	-171.3	170.4	0	111.7	Y114 R115 L116 K122 P146	Y114-K118 HydrophobicContact CE1-CD 4.11Å; Y114-K118 HydrophobicContact CE2-CD 4.49Å; Y114-K118 VanDerWaalsContact O-CB 3.27Å; Y114-K118 WeakPolarHBondContact O-CB 3.29Å; Y114-K118 PolarHBondContact O-N 3.28Å; Y114-K118 WeakPolarHBondContact OH-CD 3.5Å; Y114-K118 PolarHBondContact OH-NZ 3.36Å; Y114-K118 VanDerWaalsContact OH-NZ 3.11Å; R115-K118 PolarHBondContact O-N 3.14Å; L116-K118 VanDerWaalsContact C-N 3.26Å; L116-K118 PolarHBondContact O-N 3.19Å; K118-K122 HydrophobicContact CG-CD 4.03Å; K118-K122 HydrophobicContact CG-CG 4.5Å; K118-K122 VanDerWaalsContact O-CB 3.23Å; K118-K122 WeakPolarHBondContact O-CB 3.32Å; K118-K122 WeakPolarHBondContact O-CG 3.3Å; K118-K122 PolarHBondContact O-N 2.94Å; K118-K122 VanDerWaalsContact O-N 3.1Å; K118-P146 HydrophobicContact CB-CB 4.32Å; K118-P146 HydrophobicContact CB-CG 3.86Å
119	E	95.8	Very high	95.7	Very high	73 Å²	73	51.7 Å²	51.7	34%	0.341	25%	0.247	S	C	.	.	H	α-helix	trans	-67.2	-47.4	178.8	-165	175.8	170.8	0	0	111.3	L89 R115 L116 Y117 L121 K122 Q123	L89-E119 VanDerWaalsContact CB-CD 3.43Å; L89-E119 HydrophobicContact CB-CG 4.12Å; L89-E119 WeakPolarHBondContact CB-OE1 3.31Å; L89-E119 HydrophobicContact CD2-CB 4.11Å; L89-E119 HydrophobicContact CD2-CG 3.91Å; R115-E119 PolarHBondContact O-N 3.15Å; L116-E119 PolarHBondContact O-N 2.82Å; Y117-E119 VanDerWaalsContact C-N 3.34Å; Y117-E119 PolarHBondContact O-N 3.28Å; E119-L121 VanDerWaalsContact C-N 3.32Å; E119-L121 PolarHBondContact O-N 2.8Å; E119-K122 PolarHBondContact O-N 2.9Å; E119-Q123 PolarHBondContact O-N 3.38Å; E119-Q123 VanDerWaalsContact O-N 3.11Å
120	A	96.5	Very high	95.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-34.7	178.9	0	0	0	0	0	113.4	L3 V5 L89 I110 L116 Y117 Q123 V128	L3-A120 HydrophobicContact CD1-CB 4.16Å; V5-A120 HydrophobicContact CG2-CB 4.33Å; L89-A120 HydrophobicContact CD2-CB 3.97Å; I110-A120 HydrophobicContact CG1-CB 3.97Å; I110-A120 HydrophobicContact CG2-CB 4.36Å; L116-A120 WeakPolarHBondContact O-CB 3.49Å; L116-A120 PolarHBondContact O-N 2.87Å; Y117-A120 PolarHBondContact O-N 2.84Å; A120-Q123 WeakPolarHBondContact O-CG 3.4Å; A120-Q123 PolarHBondContact O-NE2 2.76Å; A120-Q123 VanDerWaalsContact O-NE2 3.16Å; A120-V128 VanDerWaalsContact O-CG2 3.31Å; A120-V128 WeakPolarHBondContact O-CG2 3.39Å
121	L	95.4	Very high	95.6	Very high	31 Å²	31	52.4 Å²	52.4	16%	0.162	25%	0.25	C	C	.	.	H	α-helix	trans	-82.2	-24.3	177.9	-68.8	166.1	0	0	0	113.5	Y117 E119 V128 I130 F145 P146 V148 V180	Y117-L121 VanDerWaalsContact O-CB 3.32Å; Y117-L121 WeakPolarHBondContact O-CB 3.37Å; Y117-L121 WeakPolarHBondContact O-CD1 3.43Å; Y117-L121 WeakPolarHBondContact O-CG 3.45Å; Y117-L121 PolarHBondContact O-N 2.92Å; E119-L121 VanDerWaalsContact C-N 3.32Å; E119-L121 PolarHBondContact O-N 2.8Å; L121-V128 HydrophobicContact CD2-CG1 4.01Å; L121-I130 HydrophobicContact CD2-CD1 3.78Å; L121-I130 HydrophobicContact CD2-CG1 4.24Å; L121-F145 HydrophobicContact CD1-CE1 3.94Å; L121-F145 HydrophobicContact CD1-CE2 4.37Å; L121-F145 HydrophobicContact CD1-CZ 3.67Å; L121-P146 HydrophobicContact CD1-CB 4.07Å; L121-P146 HydrophobicContact CD1-CG 4.14Å; L121-V148 HydrophobicContact CD1-CG2 3.76Å; L121-V148 HydrophobicContact CD2-CG2 4.33Å; L121-V180 HydrophobicContact CD2-CG2 4.16Å
122	K	93.6	Very high	95.6	Very high	156 Å²	156	51.7 Å²	51.7	68%	0.678	25%	0.246	S	C	*	.	H	α-helix	trans	-86.9	-27.8	-179	-82.2	-173.7	171	-149.3	0	113.9	K118 E119	K118-K122 HydrophobicContact CG-CD 4.03Å; K118-K122 HydrophobicContact CG-CG 4.5Å; K118-K122 VanDerWaalsContact O-CB 3.23Å; K118-K122 WeakPolarHBondContact O-CB 3.32Å; K118-K122 WeakPolarHBondContact O-CG 3.3Å; K118-K122 PolarHBondContact O-N 2.94Å; K118-K122 VanDerWaalsContact O-N 3.1Å; E119-K122 PolarHBondContact O-N 2.9Å
123	Q	93.3	Very high	95.8	Very high	38 Å²	38	51.6 Å²	51.6	18%	0.178	24%	0.244	C	C	.	.			trans	-67.2	153.4	178.8	66.3	73.7	41.3	0	0	110.8	L3 E119 A120 Y126 V128	L3-Q123 HydrophobicContact CD1-CG 4.12Å; E119-Q123 PolarHBondContact O-N 3.38Å; E119-Q123 VanDerWaalsContact O-N 3.11Å; A120-Q123 WeakPolarHBondContact O-CG 3.4Å; A120-Q123 PolarHBondContact O-NE2 2.76Å; A120-Q123 VanDerWaalsContact O-NE2 3.16Å; Q123-Y126 PolarHBondContact NE2-O 2.77Å; Q123-V128 VanDerWaalsContact NE2-CG2 3.25Å
124	S	91.7	Very high	96.1	Very high	71 Å²	71	51.7 Å²	51.7	50%	0.497	24%	0.239	S	C	.	.	S	Bend	trans	-118.1	-0.1	-176.2	44.6	0	0	0	0	114.8
125	I	94.6	Very high	96.3	Very high	124 Å²	124	47.2 Å²	47.2	64%	0.636	22%	0.222	S	C	*	.	S	Bend	trans	-79.9	-40.3	-172.6	-59.4	175.8	0	0	0	110.3
126	Y	95.7	Very high	96.4	Very high	47 Å²	47	40.3 Å²	40.3	18%	0.184	20%	0.201	C	C	.	.	S	Bend	trans	-113.5	140	-175.6	-57.8	-75.8	0	0	0	110.7	M1 L3 I93 Y97 Q123	M1-Y126 HydrophobicContact CB-CD1 4.13Å; M1-Y126 HydrophobicContact CB-CE1 4.21Å; L3-Y126 HydrophobicContact CG-CG 4.49Å; I93-Y126 HydrophobicContact CD1-CD2 4.07Å; I93-Y126 HydrophobicContact CD1-CE2 3.76Å; I93-Y126 HydrophobicContact CG2-CE2 4.03Å; I93-Y126 WeakPolarHBondContact CG2-OH 3.27Å; Y97-Y126 HydrophobicContact CE2-CE1 4.38Å; Q123-Y126 PolarHBondContact NE2-O 2.77Å
127	P	96.7	Very high	96.4	Very high	63 Å²	63	41.5 Å²	41.5	41%	0.409	21%	0.209	S	C	.	.			trans	-59.7	149.6	167.8	27.1	-33.5	0	0	0	109.9	R2 L3	R2-P127 HydrophobicContact CB-CG 4.04Å; R2-P127 HydrophobicContact CG-CB 4.45Å; R2-P127 HydrophobicContact CG-CG 4.21Å; R2-P127 WeakPolarHBondContact CG-O 3.31Å; L3-P127 PolarHBondContact N-O 3.16Å
128	V	97.1	Very high	96.3	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.8	-178.8	-174.1	0	0	0	0	110	L3 V5 A120 L121 Q123 V180	L3-V128 HydrophobicContact CB-CG2 4.49Å; L3-V128 WeakPolarHBondContact O-CA 3.31Å; V5-V128 HydrophobicContact CG2-CG1 4.05Å; A120-V128 VanDerWaalsContact O-CG2 3.31Å; A120-V128 WeakPolarHBondContact O-CG2 3.39Å; L121-V128 HydrophobicContact CD2-CG1 4.01Å; Q123-V128 VanDerWaalsContact NE2-CG2 3.25Å; V128-V180 HydrophobicContact CB-CB 4.01Å; V128-V180 HydrophobicContact CB-CG2 3.81Å; V128-V180 HydrophobicContact CG1-CG2 3.89Å; V128-V180 PolarHBondContact O-N 2.9Å
129	R	97.8	Very high	96.3	Very high	27 Å²	27	45.6 Å²	45.6	10%	0.102	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.4	170.3	172.8	168.2	-71.5	-173	-2	109.5	R2 L3 N4 V5 Y131 V177 Y178 D179	R2-R129 HydrophobicContact CG-CB 4.45Å; L3-R129 PolarHBondContact O-N 2.83Å; N4-R129 CarbonylContact C-O 3.54Å; N4-R129 WeakPolarHBondContact CA-O 3.35Å; V5-R129 PolarHBondContact N-O 2.87Å; R129-Y131 WeakPolarHBondContact CD-OH 3.27Å; R129-Y131 HydrophobicContact CG-CD2 4.09Å; R129-Y131 HydrophobicContact CG-CE2 3.64Å; R129-V177 HydrophobicContact CG-CG1 3.66Å; R129-Y178 CarbonylContact C-O 3.43Å; R129-Y178 VanDerWaalsContact CA-O 3.27Å; R129-Y178 WeakPolarHBondContact CA-O 3.48Å; R129-D179 IonicContact CZ-OD1 3.98Å; R129-D179 VanDerWaalsContact CZ-OD1 3.27Å; R129-D179 IonicContact CZ-OD2 2.74Å; R129-D179 IonicContact NE-OD1 3.54Å; R129-D179 PolarHBondContact NE-OD1 3.1Å; R129-D179 IonicContact NE-OD2 2.71Å; R129-D179 VanDerWaalsContact NH2-CG 3.32Å; R129-D179 IonicContact NH2-OD1 2.58Å; R129-D179 PolarHBondContact NH2-OD1 2.83Å; R129-D179 IonicContact NH2-OD2 3Å; R129-D179 PolarHBondContact NH2-OD2 2.98Å
130	I	98.1	Very high	96.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.3	178.3	-50.7	175.4	0	0	0	108.5	V5 V7 L121 C132 L153 V177 Y178 V180	V5-I130 HydrophobicContact CB-CG1 4.29Å; V5-I130 HydrophobicContact CB-CG2 4.44Å; V5-I130 HydrophobicContact CG1-CG2 4.27Å; V5-I130 CarbonylContact O-C 3.57Å; V5-I130 WeakPolarHBondContact O-CA 3.41Å; V7-I130 HydrophobicContact CG1-CG2 3.95Å; L121-I130 HydrophobicContact CD2-CD1 3.78Å; L121-I130 HydrophobicContact CD2-CG1 4.24Å; I130-C132 HydrophobicContact CG2-CB 4.11Å; I130-L153 HydrophobicContact CD1-CD1 4.14Å; I130-V177 CarbonylContact O-C 3.46Å; I130-V177 VanDerWaalsContact O-CA 3.31Å; I130-V177 WeakPolarHBondContact O-CA 3.37Å; I130-Y178 PolarHBondContact N-O 3.07Å; I130-Y178 PolarHBondContact O-N 3Å; I130-V180 HydrophobicContact CD1-CG2 3.88Å; I130-V180 HydrophobicContact CG1-CG2 4.03Å
131	Y	98.4	Very high	96.4	Very high	16 Å²	16	47.5 Å²	47.5	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	105	163.8	-65.8	-98.8	0	0	0	107.2	N4 V5 V6 V7 F31 V35 F109 R129 L158 I161 V177	N4-Y131 HydrophobicContact CB-CD2 4.27Å; N4-Y131 HydrophobicContact CB-CE2 3.95Å; V5-Y131 PolarHBondContact O-N 2.71Å; V6-Y131 WeakPolarHBondContact CA-O 3.43Å; V7-Y131 PolarHBondContact N-O 2.88Å; F31-Y131 HydrophobicContact CZ-CD1 4.34Å; V35-Y131 HydrophobicContact CG1-CD1 3.73Å; V35-Y131 HydrophobicContact CG1-CD2 4.22Å; V35-Y131 HydrophobicContact CG1-CE1 3.94Å; V35-Y131 HydrophobicContact CG1-CE2 4.43Å; V35-Y131 HydrophobicContact CG1-CG 3.88Å; V35-Y131 HydrophobicContact CG2-CD1 4.06Å; V35-Y131 HydrophobicContact CG2-CE1 4.44Å; F109-Y131 HydrophobicContact CE1-CD2 4.41Å; F109-Y131 HydrophobicContact CE1-CE2 4.14Å; R129-Y131 WeakPolarHBondContact CD-OH 3.27Å; R129-Y131 HydrophobicContact CG-CD2 4.09Å; R129-Y131 HydrophobicContact CG-CE2 3.64Å; Y131-L158 HydrophobicContact CE1-CD1 4.02Å; Y131-I161 HydrophobicContact CD1-CD1 4.19Å; Y131-I161 HydrophobicContact CE1-CD1 4.21Å; Y131-V177 HydrophobicContact CD1-CG1 4.32Å; Y131-V177 HydrophobicContact CD1-CG2 3.58Å; Y131-V177 HydrophobicContact CE1-CG1 4.18Å; Y131-V177 HydrophobicContact CE1-CG2 3.85Å; Y131-V177 HydrophobicContact CG-CG2 4.33Å
132	C	98.3	Very high	96.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.8	-171	-169.2	0	0	0	0	111.1	V7 V9 I130 H134 W150 C176 Y178	V7-C132 CarbonylContact O-C 3.59Å; V7-C132 VanDerWaalsContact O-CA 3.3Å; V7-C132 WeakPolarHBondContact O-CA 3.46Å; V9-C132 VanDerWaalsContact CG2-SG 3.6Å; I130-C132 HydrophobicContact CG2-CB 4.11Å; C132-H134 VanDerWaalsContact SG-CE1 3.57Å; C132-H134 PolarHBondContact SG-NE2 3.16Å; C132-H134 VanDerWaalsContact SG-NE2 3.35Å; C132-W150 HydrophobicContact CB-CH2 4.47Å; C132-C176 PolarHBondContact N-O 2.84Å; C132-C176 PolarHBondContact O-N 2.93Å; C132-Y178 HydrophobicContact CB-CD2 4.19Å; C132-Y178 HydrophobicContact CB-CE2 3.96Å
133	T	98.4	Very high	96.6	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	109	160.4	-53.7	0	0	0	0	108.1	V7 A8 V9 D28 I135 F173 K174 F175	V7-T133 PolarHBondContact O-N 3.34Å; A8-T133 CarbonylContact C-O 3.6Å; A8-T133 VanDerWaalsContact CA-O 3.32Å; A8-T133 WeakPolarHBondContact CA-O 3.34Å; A8-T133 HydrophobicContact CB-CG2 4.46Å; V9-T133 PolarHBondContact N-O 3.01Å; D28-T133 HydrophobicContact CB-CG2 4.44Å; D28-T133 WeakPolarHBondContact OD1-CB 3.48Å; D28-T133 WeakPolarHBondContact OD1-CG2 3.49Å; D28-T133 PolarHBondContact OD1-OG1 2.58Å; T133-I135 HydrophobicContact CG2-CG1 4.44Å; T133-I135 PolarHBondContact O-N 3.31Å; T133-F173 HydrophobicContact CG2-CB 4.06Å; T133-F173 HydrophobicContact CG2-CD2 3.89Å; T133-F173 HydrophobicContact CG2-CG 4.28Å; T133-K174 CarbonylContact C-O 3.45Å; T133-K174 WeakPolarHBondContact CA-O 3.39Å; T133-F175 HydrophobicContact CG2-CD1 4.03Å; T133-F175 HydrophobicContact CG2-CE1 3.8Å; T133-F175 VanDerWaalsContact OG1-CD1 3.26Å; T133-F175 WeakPolarHBondContact OG1-CD1 3.31Å; T133-F175 VanDerWaalsContact OG1-CE1 3.29Å; T133-F175 WeakPolarHBondContact OG1-CE1 3.47Å
134	H	98.2	Very high	96.7	Very high	25 Å²	25	48.3 Å²	48.3	12%	0.116	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	112.4	172.1	-72.1	-82.9	0	0	0	109.3	C132 L136 W150 F173 K174 Y178	C132-H134 VanDerWaalsContact SG-CE1 3.57Å; C132-H134 PolarHBondContact SG-NE2 3.16Å; C132-H134 VanDerWaalsContact SG-NE2 3.35Å; H134-L136 HydrophobicContact CB-CD2 4.14Å; H134-W150 AromaticContact CE1-CZ3 3.85Å; H134-W150 AromaticContact NE2-CZ3 3.93Å; H134-F173 CarbonylContact O-C 3.57Å; H134-F173 WeakPolarHBondContact O-CA 3.34Å; H134-F173 VanDerWaalsContact O-CB 3.25Å; H134-F173 WeakPolarHBondContact O-CB 3.33Å; H134-K174 HydrophobicContact CB-CG 4.01Å; H134-K174 PolarHBondContact N-O 3.32Å; H134-K174 PolarHBondContact O-N 3.38Å; H134-Y178 AromaticContact NE2-CE2 3.5Å; H134-Y178 WeakPolarHBondContact NE2-CE2 3.25Å; H134-Y178 AromaticContact NE2-CZ 3.72Å; H134-Y178 PolarHBondContact NE2-OH 3.14Å
135	I	98.2	Very high	97	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	112.7	170.1	-60.8	168.5	0	0	0	107.3	A8 V9 S10 E11 W23 I25 T133 S137 F171 F173	A8-I135 HydrophobicContact CB-CD1 4.38Å; V9-I135 PolarHBondContact O-N 2.95Å; S10-I135 CarbonylContact C-O 3.59Å; E11-I135 PolarHBondContact N-O 2.93Å; W23-I135 HydrophobicContact CD2-CD1 3.27Å; W23-I135 HydrophobicContact CE3-CD1 3.61Å; W23-I135 HydrophobicContact CG-CD1 3.83Å; W23-I135 HydrophobicContact CH2-CD1 3.76Å; W23-I135 HydrophobicContact CZ2-CD1 3.42Å; W23-I135 VanDerWaalsContact CZ2-CD1 3.42Å; W23-I135 HydrophobicContact CZ3-CD1 3.84Å; I25-I135 HydrophobicContact CD1-CD1 3.79Å; I25-I135 HydrophobicContact CD1-CG1 4.03Å; T133-I135 HydrophobicContact CG2-CG1 4.44Å; T133-I135 PolarHBondContact O-N 3.31Å; I135-S137 PolarHBondContact O-N 2.92Å; I135-F171 HydrophobicContact CG2-CB 4.23Å; I135-F171 HydrophobicContact CG2-CD1 3.83Å; I135-F171 HydrophobicContact CG2-CG 4.39Å; I135-F173 HydrophobicContact CG1-CB 4.11Å
136	L	97.7	Very high	97.1	Very high	71 Å²	71	40.2 Å²	40.2	37%	0.372	20%	0.204	S	C	.	.			trans	-81.9	52.4	-176	-48.3	-174.6	0	0	0	110.3	H134 T165 T172	H134-L136 HydrophobicContact CB-CD2 4.14Å; L136-T165 HydrophobicContact CD1-CG2 4.2Å; L136-T172 HydrophobicContact CB-CG2 4.49Å; L136-T172 WeakPolarHBondContact CB-O 3.5Å; L136-T172 HydrophobicContact CD1-CG2 4.07Å; L136-T172 PolarHBondContact N-O 3.44Å
137	S	96	Very high	96.9	Very high	30 Å²	30	48.3 Å²	48.3	21%	0.21	24%	0.241	C	C	.	.	S	Bend	trans	-153.5	141.4	177.7	-55.1	0	0	0	0	108.8	S10 E11 I135	S10-S137 WeakPolarHBondContact CB-O 2.99Å; E11-S137 PolarHBondContact N-O 3.2Å; I135-S137 PolarHBondContact O-N 2.92Å
138	E	95.6	Very high	96.7	Very high	157 Å²	157	46.9 Å²	46.9	73%	0.734	23%	0.231	S	C	*	.			trans	-68.9	133.6	165.1	-65.7	-168.6	165	0	0	109.8	E11	E11-E138 HydrophobicContact CB-CG 4.4Å
139	V	96	Very high	96.5	Very high	17 Å²	17	50.1 Å²	50.1	10%	0.103	25%	0.247	C	C	.	.			trans	-132	133.8	179.5	-174.2	0	0	0	0	108.8	N12 P22 W23 C141 F171	N12-V139 PolarHBondContact ND2-O 3.02Å; N12-V139 PolarHBondContact OD1-N 3.18Å; N12-V139 VanDerWaalsContact OD1-N 3.17Å; N12-V139 PolarHBondContact OD1-O 3.21Å; P22-V139 HydrophobicContact CB-CG1 3.84Å; P22-V139 HydrophobicContact CG-CG1 3.88Å; W23-V139 HydrophobicContact CE3-CB 4.36Å; W23-V139 HydrophobicContact CE3-CG1 4.09Å; W23-V139 HydrophobicContact CE3-CG2 4.09Å; W23-V139 HydrophobicContact CZ3-CB 4.23Å; W23-V139 HydrophobicContact CZ3-CG1 4.26Å; W23-V139 HydrophobicContact CZ3-CG2 4.22Å; V139-C141 PolarHBondContact O-N 3.3Å; V139-C141 VanDerWaalsContact O-N 3.16Å; V139-C141 PolarHBondContact O-SG 2.61Å; V139-F171 HydrophobicContact CG2-CD1 4.43Å; V139-F171 HydrophobicContact CG2-CE1 3.83Å
140	D	96.3	Very high	96.2	Very high	108 Å²	108	51 Å²	51	58%	0.578	25%	0.251	S	S	*	.			trans	-63	116.2	172.6	-179.4	28.3	0	0	0	110.1	K17	K17-D140 WeakPolarHBondContact CD-O 3.39Å; K17-D140 WeakPolarHBondContact CE-OD2 3.05Å; K17-D140 IonicContact NZ-OD2 3.54Å; K17-D140 PolarHBondContact NZ-OD2 3.17Å
141	C	96.8	Very high	96	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.034	29%	0.291	C	S	.	.			trans	-136.6	151	-173.2	-66.8	0	0	0	0	109.7	G14 G16 V139 Y144	G14-C141 VanDerWaalsContact CA-SG 3.59Å; G16-C141 WeakPolarHBondContact O-CA 3.2Å; G16-C141 WeakPolarHBondContact O-CB 3.37Å; V139-C141 PolarHBondContact O-N 3.3Å; V139-C141 VanDerWaalsContact O-N 3.16Å; V139-C141 PolarHBondContact O-SG 2.61Å; C141-Y144 HydrophobicContact CB-CE1 4.31Å; C141-Y144 PolarHBondContact O-OH 3.17Å
142	D	96.4	Very high	95.8	Very high	92 Å²	92	63.9 Å²	63.9	49%	0.492	32%	0.315	S	S	.	.	S	Bend	trans	-108.9	-11.4	171.4	61.1	22.8	0	0	0	112.7	G16 K17 G18	G16-D142 PolarHBondContact O-N 2.82Å; K17-D142 WeakPolarHBondContact CA-OD1 3.26Å; G18-D142 PolarHBondContact N-OD2 2.78Å
143	T	96.6	Very high	95.7	Very high	45 Å²	45	64.7 Å²	64.7	28%	0.276	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.8	-178.3	-54.3	0	0	0	0	108.8	I15 G16	I15-T143 HydrophobicContact CD1-CG2 3.93Å; I15-T143 HydrophobicContact CG1-CG2 3.81Å; I15-T143 WeakPolarHBondContact CG1-O 3.17Å; I15-T143 PolarHBondContact N-O 3.38Å; G16-T143 PolarHBondContact N-O 2.7Å; G16-T143 PolarHBondContact O-N 2.76Å; G16-T143 VanDerWaalsContact O-N 3.17Å
144	Y	97.2	Very high	95.6	Very high	105 Å²	105	71.6 Å²	71.6	41%	0.412	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.2	-174.1	-59.2	-91.6	0	0	0	111	N12 W13 Y114 C141	N12-Y144 WeakPolarHBondContact O-CD1 3.13Å; W13-Y144 CarbonylContact O-C 3.57Å; W13-Y144 VanDerWaalsContact O-CA 3.3Å; W13-Y144 WeakPolarHBondContact O-CA 3.41Å; Y114-Y144 VanDerWaalsContact CD2-O 3.26Å; Y114-Y144 WeakPolarHBondContact CD2-O 3.5Å; C141-Y144 HydrophobicContact CB-CE1 4.31Å; C141-Y144 PolarHBondContact O-OH 3.17Å
145	F	97.2	Very high	95.5	Very high	12 Å²	12	76.1 Å²	76.1	5%	0.053	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-62.3	144.2	174.7	-163.3	-116.9	0	0	0	110.3	V5 V7 V9 W13 I15 Y117 L121 V148 W150	V5-F145 HydrophobicContact CG1-CE2 4.18Å; V5-F145 HydrophobicContact CG1-CZ 4.19Å; V7-F145 HydrophobicContact CB-CD2 4.41Å; V7-F145 HydrophobicContact CB-CE2 4.03Å; V7-F145 HydrophobicContact CG1-CD2 4.34Å; V7-F145 HydrophobicContact CG1-CE2 3.82Å; V7-F145 HydrophobicContact CG1-CZ 4.05Å; V7-F145 HydrophobicContact CG2-CD2 3.73Å; V7-F145 HydrophobicContact CG2-CE2 3.85Å; V9-F145 HydrophobicContact CG1-CB 4.02Å; V9-F145 HydrophobicContact CG1-CD2 4.46Å; V9-F145 HydrophobicContact CG1-CG 4.11Å; W13-F145 PolarHBondContact O-N 3.31Å; I15-F145 HydrophobicContact CG2-CB 3.78Å; I15-F145 HydrophobicContact CG2-CD2 4.25Å; I15-F145 HydrophobicContact CG2-CG 4.45Å; Y117-F145 HydrophobicContact CD1-CE2 4.35Å; Y117-F145 AromaticContact CD2-CD2 3.89Å; Y117-F145 HydrophobicContact CD2-CD2 3.89Å; Y117-F145 AromaticContact CD2-CE2 3.84Å; Y117-F145 HydrophobicContact CD2-CE2 3.84Å; Y117-F145 HydrophobicContact CE2-CD2 4.34Å; Y117-F145 HydrophobicContact CE2-CE2 4.31Å; Y117-F145 HydrophobicContact CG-CD2 4.33Å; Y117-F145 AromaticContact CG-CE2 3.85Å; Y117-F145 HydrophobicContact CG-CE2 3.85Å; L121-F145 HydrophobicContact CD1-CE1 3.94Å; L121-F145 HydrophobicContact CD1-CE2 4.37Å; L121-F145 HydrophobicContact CD1-CZ 3.67Å; F145-V148 HydrophobicContact CE1-CG2 3.98Å; F145-W150 AromaticContact CD1-CZ2 3.96Å; F145-W150 HydrophobicContact CD1-CZ2 3.96Å; F145-W150 HydrophobicContact CE1-CH2 4.36Å; F145-W150 AromaticContact CE1-CZ2 3.92Å; F145-W150 HydrophobicContact CE1-CZ2 3.92Å
146	P	95.7	Very high	95.4	Very high	14 Å²	14	77.2 Å²	77.2	9%	0.091	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-54.4	145.1	173.1	-23.8	34.5	0	0	0	111.3	Y114 K118 L121 V148	Y114-P146 HydrophobicContact CD2-CG 3.99Å; Y114-P146 HydrophobicContact CE2-CB 4.44Å; Y114-P146 HydrophobicContact CE2-CG 4.04Å; K118-P146 HydrophobicContact CB-CB 4.32Å; K118-P146 HydrophobicContact CB-CG 3.86Å; L121-P146 HydrophobicContact CD1-CB 4.07Å; L121-P146 HydrophobicContact CD1-CG 4.14Å; P146-V148 PolarHBondContact O-N 3.47Å
147	K	92.8	Very high	95.3	Very high	217 Å²	217	80.4 Å²	80.4	94%	0.943	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-61.1	125.3	176.1	-67.6	-171.5	176.6	-172.6	0	109.7
148	V	91.2	Very high	95.2	Very high	33 Å²	33	81.2 Å²	81.2	20%	0.2	39%	0.394	C	S	.	.			trans	-129.8	142.9	173.5	-179.7	0	0	0	0	107.5	L121 F145 P146 W150 L153	L121-V148 HydrophobicContact CD1-CG2 3.76Å; L121-V148 HydrophobicContact CD2-CG2 4.33Å; F145-V148 HydrophobicContact CE1-CG2 3.98Å; P146-V148 PolarHBondContact O-N 3.47Å; V148-W150 PolarHBondContact O-N 2.93Å; V148-L153 HydrophobicContact CG1-CD1 3.85Å; V148-L153 HydrophobicContact CG1-CD2 3.85Å; V148-L153 HydrophobicContact CG1-CG 4.03Å
149	D	93.1	Very high	95	Very high	75 Å²	75	79.7 Å²	79.7	40%	0.401	40%	0.398	S	S	.	.			trans	-80.7	91.3	171.3	-172.7	-13.8	0	0	0	108.7	D151 K152	D149-D151 PolarHBondContact O-N 3.04Å; D149-D151 PolarHBondContact OD1-N 2.59Å; D149-K152 HydrophobicContact CB-CB 4.38Å; D149-K152 HydrophobicContact CB-CD 4.12Å; D149-K152 HydrophobicContact CB-CG 4.31Å; D149-K152 PolarHBondContact O-N 2.89Å; D149-K152 WeakPolarHBondContact OD2-CD 3.4Å; D149-K152 WeakPolarHBondContact OD2-CE 3.5Å; D149-K152 WeakPolarHBondContact OD2-CG 3.2Å; D149-K152 IonicContact OD2-NZ 2.78Å
150	W	92.8	Very high	94.7	Very high	46 Å²	46	84 Å²	84	17%	0.174	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-64.8	-24.5	-174.7	-67.9	88.4	0	0	0	113.1	W13 C132 H134 F145 V148 K152 L153 Y178	W13-W150 AromaticContact CE3-CZ2 3.97Å; W13-W150 HydrophobicContact CE3-CZ2 3.97Å; W13-W150 AromaticContact CE3-NE1 3.86Å; W13-W150 AromaticContact CH2-CD1 3.49Å; W13-W150 VanDerWaalsContact CH2-CD1 3.49Å; W13-W150 AromaticContact CH2-CD2 3.74Å; W13-W150 HydrophobicContact CH2-CD2 3.74Å; W13-W150 AromaticContact CH2-CE2 3.37Å; W13-W150 AromaticContact CH2-CG 3.85Å; W13-W150 HydrophobicContact CH2-CG 3.85Å; W13-W150 AromaticContact CH2-CZ2 3.93Å; W13-W150 HydrophobicContact CH2-CZ2 3.93Å; W13-W150 AromaticContact CH2-NE1 3.17Å; W13-W150 AromaticContact CZ2-CD1 3.81Å; W13-W150 HydrophobicContact CZ2-CG 4.46Å; W13-W150 AromaticContact CZ2-NE1 3.72Å; W13-W150 AromaticContact CZ3-CD2 3.98Å; W13-W150 HydrophobicContact CZ3-CD2 3.98Å; W13-W150 AromaticContact CZ3-CE2 3.2Å; W13-W150 HydrophobicContact CZ3-CG 4.49Å; W13-W150 HydrophobicContact CZ3-CH2 4.05Å; W13-W150 AromaticContact CZ3-CZ2 3.26Å; W13-W150 HydrophobicContact CZ3-CZ2 3.26Å; W13-W150 AromaticContact CZ3-NE1 3.26Å; W13-W150 VanDerWaalsContact CZ3-NE1 3.26Å; C132-W150 HydrophobicContact CB-CH2 4.47Å; H134-W150 AromaticContact CE1-CZ3 3.85Å; H134-W150 AromaticContact NE2-CZ3 3.93Å; F145-W150 AromaticContact CD1-CZ2 3.96Å; F145-W150 HydrophobicContact CD1-CZ2 3.96Å; F145-W150 HydrophobicContact CE1-CH2 4.36Å; F145-W150 AromaticContact CE1-CZ2 3.92Å; F145-W150 HydrophobicContact CE1-CZ2 3.92Å; V148-W150 PolarHBondContact O-N 2.93Å; W150-K152 VanDerWaalsContact C-N 3.28Å; W150-K152 PolarHBondContact O-N 2.8Å; W150-L153 HydrophobicContact CD2-CD1 3.95Å; W150-L153 HydrophobicContact CE3-CD1 3.49Å; W150-L153 VanDerWaalsContact CE3-CD1 3.49Å; W150-L153 HydrophobicContact CG-CD1 4.48Å; W150-L153 HydrophobicContact CZ3-CD1 3.92Å; W150-L153 WeakPolarHBondContact O-CB 3.4Å; W150-L153 PolarHBondContact O-N 3.48Å; W150-Y178 HydrophobicContact CE3-CD2 4.47Å; W150-Y178 HydrophobicContact CE3-CE2 4.28Å; W150-Y178 AromaticContact CZ3-CD2 3.86Å; W150-Y178 HydrophobicContact CZ3-CD2 3.86Å; W150-Y178 AromaticContact CZ3-CE2 3.75Å; W150-Y178 HydrophobicContact CZ3-CE2 3.75Å; W150-Y178 HydrophobicContact CZ3-CG 4.46Å
151	D	93.2	Very high	94.6	Very high	159 Å²	159	80.2 Å²	80.2	85%	0.85	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-72.6	-24.5	178	-65.2	-32.5	0	0	0	111.9	D149	D149-D151 PolarHBondContact O-N 3.04Å; D149-D151 PolarHBondContact OD1-N 2.59Å
152	K	94	Very high	94.4	Very high	127 Å²	127	82.1 Å²	82.1	55%	0.552	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-82.9	-17	173.1	-70.2	-178.1	-178.5	171.4	0	113.2	D149 W150 P181	D149-K152 HydrophobicContact CB-CB 4.38Å; D149-K152 HydrophobicContact CB-CD 4.12Å; D149-K152 HydrophobicContact CB-CG 4.31Å; D149-K152 PolarHBondContact O-N 2.89Å; D149-K152 WeakPolarHBondContact OD2-CD 3.4Å; D149-K152 WeakPolarHBondContact OD2-CE 3.5Å; D149-K152 WeakPolarHBondContact OD2-CG 3.2Å; D149-K152 IonicContact OD2-NZ 2.78Å; W150-K152 VanDerWaalsContact C-N 3.28Å; W150-K152 PolarHBondContact O-N 2.8Å; K152-P181 WeakPolarHBondContact O-CD 3.26Å; K152-P181 WeakPolarHBondContact O-CG 3.24Å
153	L	95.9	Very high	94.1	Very high	18 Å²	18	82.5 Å²	82.5	9%	0.094	43%	0.428	C	S	.	.	S	Bend	trans	-70.9	135.4	-178.7	-61.8	-173.6	0	0	0	110.9	I130 V148 W150 K155 Y178 V180	I130-L153 HydrophobicContact CD1-CD1 4.14Å; V148-L153 HydrophobicContact CG1-CD1 3.85Å; V148-L153 HydrophobicContact CG1-CD2 3.85Å; V148-L153 HydrophobicContact CG1-CG 4.03Å; W150-L153 HydrophobicContact CD2-CD1 3.95Å; W150-L153 HydrophobicContact CE3-CD1 3.49Å; W150-L153 VanDerWaalsContact CE3-CD1 3.49Å; W150-L153 HydrophobicContact CG-CD1 4.48Å; W150-L153 HydrophobicContact CZ3-CD1 3.92Å; W150-L153 WeakPolarHBondContact O-CB 3.4Å; W150-L153 PolarHBondContact O-N 3.48Å; L153-K155 PolarHBondContact O-N 2.86Å; L153-Y178 HydrophobicContact CB-CD1 3.98Å; L153-Y178 HydrophobicContact CB-CG 4.35Å; L153-Y178 HydrophobicContact CD1-CD1 4.37Å; L153-Y178 HydrophobicContact CD1-CG 4.14Å; L153-V180 HydrophobicContact CD2-CB 4.12Å; L153-V180 HydrophobicContact CD2-CG1 4.15Å; L153-V180 HydrophobicContact CD2-CG2 3.87Å
154	K	96.8	Very high	94	Very high	147 Å²	147	85.6 Å²	85.6	64%	0.639	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.5	174.3	-176.2	-177.9	177.6	-176.1	0	109.1	V156 Y178 D179	K154-V156 PolarHBondContact O-N 3.35Å; K154-Y178 CarbonylContact O-C 3.51Å; K154-Y178 WeakPolarHBondContact O-CA 3.46Å; K154-D179 PolarHBondContact N-O 2.93Å; K154-D179 PolarHBondContact O-N 3.47Å
155	K	96.7	Very high	94	Very high	119 Å²	119	84.6 Å²	84.6	52%	0.517	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	136.3	170.5	-166.6	-176.8	177.2	-164.3	0	110.2	L153 V177 Y178	L153-K155 PolarHBondContact O-N 2.86Å; K155-V177 WeakPolarHBondContact CA-O 3.26Å; K155-Y178 HydrophobicContact CB-CD1 4.29Å; K155-Y178 HydrophobicContact CB-CE1 4.26Å; K155-Y178 HydrophobicContact CG-CE1 4.27Å
156	V	96.5	Very high	94.1	Very high	25 Å²	25	86 Å²	86	15%	0.152	45%	0.454	C	S	.	.			trans	-118.2	123.3	179.3	-173.8	0	0	0	0	108.8	K154 L158 V177 D179	K154-V156 PolarHBondContact O-N 3.35Å; V156-L158 HydrophobicContact CG1-CD2 3.77Å; V156-L158 HydrophobicContact CG1-CG 3.97Å; V156-V177 HydrophobicContact CB-CB 4.39Å; V156-V177 HydrophobicContact CB-CG1 4.19Å; V156-V177 PolarHBondContact N-O 3.32Å; V156-D179 HydrophobicContact CG2-CB 4.13Å; V156-D179 VanDerWaalsContact CG2-OD2 3.31Å; V156-D179 WeakPolarHBondContact CG2-OD2 3.07Å
157	D	94.9	Very high	94.2	Very high	137 Å²	137	90.1 Å²	90.1	73%	0.733	48%	0.479	S	S	*	.			trans	-87.6	115.9	171.5	-60.4	-47.9	0	0	0	108.9
158	L	94.4	Very high	94.4	Very high	47 Å²	47	81.9 Å²	81.9	25%	0.246	44%	0.444	C	S	.	.			trans	-115	135.2	176.1	-64.6	-178.8	0	0	0	108.8	Y131 V156 D160 I161 V177	Y131-L158 HydrophobicContact CE1-CD1 4.02Å; V156-L158 HydrophobicContact CG1-CD2 3.77Å; V156-L158 HydrophobicContact CG1-CG 3.97Å; L158-D160 PolarHBondContact O-N 2.82Å; L158-D160 VanDerWaalsContact O-N 3.14Å; L158-I161 HydrophobicContact CB-CB 4.48Å; L158-I161 HydrophobicContact CB-CG1 3.66Å; L158-I161 HydrophobicContact CD1-CG1 4.3Å; L158-I161 HydrophobicContact CG-CG1 4.5Å; L158-I161 PolarHBondContact O-N 3.28Å; L158-I161 VanDerWaalsContact O-N 3.07Å; L158-V177 HydrophobicContact CD1-CB 4.42Å; L158-V177 HydrophobicContact CD1-CG1 4.04Å; L158-V177 HydrophobicContact CD1-CG2 4.19Å
159	P	90.3	Very high	94.6	Very high	125 Å²	125	85.8 Å²	85.8	81%	0.812	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.7	-171.4	24.5	-35	0	0	0	114.1
160	D	89.5	Confident	94.7	Very high	107 Å²	107	85.4 Å²	85.4	57%	0.572	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	1.1	-179.3	-57.3	-68.2	0	0	0	113.8	K38 L158	K38-D160 IonicContact NZ-OD1 3.17Å; K38-D160 PolarHBondContact NZ-OD1 2.82Å; K38-D160 IonicContact NZ-OD2 2.61Å; K38-D160 PolarHBondContact NZ-OD2 3.5Å; L158-D160 PolarHBondContact O-N 2.82Å; L158-D160 VanDerWaalsContact O-N 3.14Å
161	I	93.9	Very high	94.9	Very high	29 Å²	29	85.3 Å²	85.3	15%	0.149	48%	0.478	C	S	.	.	S	Bend	trans	-100.7	117.4	-178.4	-53.7	-65.8	0	0	0	108.2	F31 V35 Y131 L158 A163 F175 V177	F31-I161 HydrophobicContact CE2-CD1 3.5Å; F31-I161 VanDerWaalsContact CE2-CD1 3.5Å; F31-I161 HydrophobicContact CE2-CG2 4.23Å; F31-I161 HydrophobicContact CZ-CD1 3.88Å; V35-I161 HydrophobicContact CG2-CD1 4.39Å; Y131-I161 HydrophobicContact CD1-CD1 4.19Å; Y131-I161 HydrophobicContact CE1-CD1 4.21Å; L158-I161 HydrophobicContact CB-CB 4.48Å; L158-I161 HydrophobicContact CB-CG1 3.66Å; L158-I161 HydrophobicContact CD1-CG1 4.3Å; L158-I161 HydrophobicContact CG-CG1 4.5Å; L158-I161 PolarHBondContact O-N 3.28Å; L158-I161 VanDerWaalsContact O-N 3.07Å; I161-A163 PolarHBondContact O-N 2.87Å; I161-F175 HydrophobicContact CG2-CB 3.78Å; I161-V177 HydrophobicContact CD1-CG2 3.99Å; I161-V177 HydrophobicContact CG1-CG2 3.79Å; I161-V177 HydrophobicContact CG2-CG2 4.28Å
162	P	93.2	Very high	95.2	Very high	46 Å²	46	79.9 Å²	79.9	30%	0.299	45%	0.451	S	S	.	.			trans	-60.7	130	179.5	-21	31.6	0	0	0	111.5	F166 F175	P162-F166 HydrophobicContact CB-CE2 3.78Å; P162-F166 HydrophobicContact CB-CZ 3.61Å; P162-F166 HydrophobicContact CG-CZ 4.38Å; P162-F175 HydrophobicContact CB-CD2 4.26Å; P162-F175 HydrophobicContact CG-CD2 4.1Å; P162-F175 HydrophobicContact CG-CE2 4.5Å
163	A	91.1	Very high	95.4	Very high	99 Å²	99	73.9 Å²	73.9	82%	0.818	43%	0.425	S	S	*	.			trans	-84.3	-15.2	179.8	0	0	0	0	0	113.4	I161	I161-A163 PolarHBondContact O-N 2.87Å
164	D	94.4	Very high	95.5	Very high	111 Å²	111	76.8 Å²	76.8	59%	0.594	44%	0.437	S	S	*	.	S	Bend	trans	-72.6	162.1	-177.4	-59.6	-64.3	0	0	0	113	F166	D164-F166 HydrophobicContact CB-CE1 4.34Å; D164-F166 HydrophobicContact CB-CE2 4.17Å; D164-F166 HydrophobicContact CB-CZ 3.87Å; D164-F166 VanDerWaalsContact O-CE2 3.26Å; D164-F166 WeakPolarHBondContact O-CE2 3.29Å
165	T	97.3	Very high	95.6	Very high	83 Å²	83	70.2 Å²	70.2	51%	0.509	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136	165.1	-57.1	0	0	0	0	108.6	L136 T172 F173	L136-T165 HydrophobicContact CD1-CG2 4.2Å; T165-T172 HydrophobicContact CG2-CG2 3.25Å; T165-F173 WeakPolarHBondContact CA-O 3.47Å
166	F	97.7	Very high	95.6	Very high	42 Å²	42	65 Å²	65	18%	0.184	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	155.8	-179.1	-57.3	-84.3	0	0	0	110.3	P162 D164 T172 F173 F175	P162-F166 HydrophobicContact CB-CE2 3.78Å; P162-F166 HydrophobicContact CB-CZ 3.61Å; P162-F166 HydrophobicContact CG-CZ 4.38Å; D164-F166 HydrophobicContact CB-CE1 4.34Å; D164-F166 HydrophobicContact CB-CE2 4.17Å; D164-F166 HydrophobicContact CB-CZ 3.87Å; D164-F166 VanDerWaalsContact O-CE2 3.26Å; D164-F166 WeakPolarHBondContact O-CE2 3.29Å; F166-T172 CarbonylContact O-C 3.56Å; F166-T172 VanDerWaalsContact O-CA 3.24Å; F166-T172 WeakPolarHBondContact O-CA 3.45Å; F166-F173 HydrophobicContact CB-CD1 4.49Å; F166-F173 HydrophobicContact CB-CD2 4.23Å; F166-F173 HydrophobicContact CB-CE1 3.95Å; F166-F173 HydrophobicContact CB-CE2 3.66Å; F166-F173 HydrophobicContact CB-CZ 3.48Å; F166-F173 VanDerWaalsContact CB-CZ 3.48Å; F166-F173 HydrophobicContact CD2-CD2 4.48Å; F166-F173 HydrophobicContact CD2-CE2 4.11Å; F166-F173 HydrophobicContact CG-CE2 4.15Å; F166-F173 HydrophobicContact CG-CZ 4.33Å; F166-F173 PolarHBondContact N-O 3.47Å; F166-F173 PolarHBondContact O-N 3.24Å; F166-F175 HydrophobicContact CD2-CD2 4.29Å; F166-F175 AromaticContact CD2-CE2 3.94Å; F166-F175 HydrophobicContact CD2-CE2 3.94Å; F166-F175 AromaticContact CE2-CD2 3.92Å; F166-F175 HydrophobicContact CE2-CD2 3.92Å; F166-F175 AromaticContact CE2-CE2 3.84Å; F166-F175 HydrophobicContact CE2-CE2 3.84Å
167	T	97.9	Very high	95.7	Very high	100 Å²	100	63.8 Å²	63.8	61%	0.613	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.6	169.1	-57.7	0	0	0	0	109.4	F171 T172	T167-F171 CarbonylContact C-O 3.48Å; T167-F171 VanDerWaalsContact CA-O 3.26Å; T167-F171 WeakPolarHBondContact CA-O 3.22Å; T167-T172 PolarHBondContact OG1-OG1 3.17Å; T167-T172 VanDerWaalsContact OG1-OG1 3.13Å
168	E	97.6	Very high	95.8	Very high	45 Å²	45	58.7 Å²	58.7	21%	0.21	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	131.7	177.2	-166.1	-170.1	147.4	0	0	109.5	I25 K26 K27 G170 F171 F173	I25-E168 HydrophobicContact CG2-CB 4.31Å; I25-E168 WeakPolarHBondContact CG2-OE2 3.27Å; K26-E168 WeakPolarHBondContact CB-OE1 3.46Å; K26-E168 PolarHBondContact N-OE1 2.58Å; K26-E168 PolarHBondContact N-OE2 3.41Å; K27-E168 WeakPolarHBondContact CB-OE2 3.26Å; K27-E168 PolarHBondContact N-OE2 3.01Å; E168-G170 PolarHBondContact O-N 3.27Å; E168-G170 VanDerWaalsContact O-N 3.1Å; E168-F171 PolarHBondContact N-O 3.04Å; E168-F171 PolarHBondContact O-N 3.18Å; E168-F173 HydrophobicContact CB-CE1 3.81Å; E168-F173 HydrophobicContact CB-CZ 4.28Å
169	N	95.6	Very high	96	Very high	114 Å²	114	58.6 Å²	58.6	61%	0.61	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	36.5	177.3	-60.6	-32.6	0	0	0	114.4	K24 F171	K24-N169 PolarHBondContact O-ND2 3.39Å; N169-F171 VanDerWaalsContact C-N 3.3Å; N169-F171 WeakPolarHBondContact O-CD2 3.44Å; N169-F171 PolarHBondContact O-N 2.86Å
170	G	95.4	Very high	96.2	Very high	68 Å²	68	54.2 Å²	54.2	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-3.5	-179.7	0	0	0	0	0	115.2	E168	E168-G170 PolarHBondContact O-N 3.27Å; E168-G170 VanDerWaalsContact O-N 3.1Å
171	F	97.4	Very high	96.2	Very high	44 Å²	44	52.2 Å²	52.2	19%	0.193	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.9	175.6	-62	-76.2	0	0	0	110.5	W23 I25 I135 V139 T167 E168 N169 F173	W23-F171 HydrophobicContact CB-CD2 4.05Å; W23-F171 HydrophobicContact CB-CE1 4.3Å; W23-F171 HydrophobicContact CB-CE2 3.66Å; W23-F171 HydrophobicContact CB-CZ 3.8Å; I25-F171 HydrophobicContact CD1-CB 3.77Å; I25-F171 HydrophobicContact CD1-CD2 4.31Å; I25-F171 HydrophobicContact CD1-CG 4.12Å; I25-F171 HydrophobicContact CG1-CB 4.32Å; I25-F171 HydrophobicContact CG1-CD2 4.22Å; I135-F171 HydrophobicContact CG2-CB 4.23Å; I135-F171 HydrophobicContact CG2-CD1 3.83Å; I135-F171 HydrophobicContact CG2-CG 4.39Å; V139-F171 HydrophobicContact CG2-CD1 4.43Å; V139-F171 HydrophobicContact CG2-CE1 3.83Å; T167-F171 CarbonylContact C-O 3.48Å; T167-F171 VanDerWaalsContact CA-O 3.26Å; T167-F171 WeakPolarHBondContact CA-O 3.22Å; E168-F171 PolarHBondContact N-O 3.04Å; E168-F171 PolarHBondContact O-N 3.18Å; N169-F171 VanDerWaalsContact C-N 3.3Å; N169-F171 WeakPolarHBondContact O-CD2 3.44Å; N169-F171 PolarHBondContact O-N 2.86Å; F171-F173 WeakPolarHBondContact O-CD1 3.41Å
172	T	98.2	Very high	95.3	Very high	45 Å²	45	54.9 Å²	54.9	28%	0.276	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.2	169	-62.3	0	0	0	0	108.8	L136 T165 F166 T167	L136-T172 HydrophobicContact CB-CG2 4.49Å; L136-T172 WeakPolarHBondContact CB-O 3.5Å; L136-T172 HydrophobicContact CD1-CG2 4.07Å; L136-T172 PolarHBondContact N-O 3.44Å; T165-T172 HydrophobicContact CG2-CG2 3.25Å; F166-T172 CarbonylContact O-C 3.56Å; F166-T172 VanDerWaalsContact O-CA 3.24Å; F166-T172 WeakPolarHBondContact O-CA 3.45Å; T167-T172 PolarHBondContact OG1-OG1 3.17Å; T167-T172 VanDerWaalsContact OG1-OG1 3.13Å
173	F	98.3	Very high	94.2	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	161.9	-175.2	59.8	-83.8	0	0	0	113.2	I25 K27 T133 H134 I135 T165 F166 E168 F171 F175	I25-F173 HydrophobicContact CD1-CD1 4.03Å; I25-F173 HydrophobicContact CD1-CE1 4.38Å; I25-F173 HydrophobicContact CG2-CD1 4.01Å; I25-F173 HydrophobicContact CG2-CE1 3.4Å; I25-F173 VanDerWaalsContact CG2-CE1 3.4Å; I25-F173 HydrophobicContact CG2-CE2 3.95Å; I25-F173 HydrophobicContact CG2-CZ 3.37Å; K27-F173 HydrophobicContact CB-CE2 3.93Å; K27-F173 HydrophobicContact CB-CZ 3.68Å; K27-F173 HydrophobicContact CG-CE2 4.02Å; K27-F173 HydrophobicContact CG-CZ 4.11Å; T133-F173 HydrophobicContact CG2-CB 4.06Å; T133-F173 HydrophobicContact CG2-CD2 3.89Å; T133-F173 HydrophobicContact CG2-CG 4.28Å; H134-F173 CarbonylContact O-C 3.57Å; H134-F173 WeakPolarHBondContact O-CA 3.34Å; H134-F173 VanDerWaalsContact O-CB 3.25Å; H134-F173 WeakPolarHBondContact O-CB 3.33Å; I135-F173 HydrophobicContact CG1-CB 4.11Å; T165-F173 WeakPolarHBondContact CA-O 3.47Å; F166-F173 HydrophobicContact CB-CD1 4.49Å; F166-F173 HydrophobicContact CB-CD2 4.23Å; F166-F173 HydrophobicContact CB-CE1 3.95Å; F166-F173 HydrophobicContact CB-CE2 3.66Å; F166-F173 HydrophobicContact CB-CZ 3.48Å; F166-F173 VanDerWaalsContact CB-CZ 3.48Å; F166-F173 HydrophobicContact CD2-CD2 4.48Å; F166-F173 HydrophobicContact CD2-CE2 4.11Å; F166-F173 HydrophobicContact CG-CE2 4.15Å; F166-F173 HydrophobicContact CG-CZ 4.33Å; F166-F173 PolarHBondContact N-O 3.47Å; F166-F173 PolarHBondContact O-N 3.24Å; E168-F173 HydrophobicContact CB-CE1 3.81Å; E168-F173 HydrophobicContact CB-CZ 4.28Å; F171-F173 WeakPolarHBondContact O-CD1 3.41Å; F173-F175 HydrophobicContact CD2-CE1 4.36Å; F173-F175 HydrophobicContact CD2-CE2 4.49Å; F173-F175 HydrophobicContact CD2-CZ 4.06Å; F173-F175 HydrophobicContact CE2-CE1 4.4Å; F173-F175 HydrophobicContact CE2-CE2 4.12Å; F173-F175 AromaticContact CE2-CZ 3.7Å; F173-F175 HydrophobicContact CE2-CZ 3.7Å
174	K	98.2	Very high	91.9	Very high	78 Å²	78	62.8 Å²	62.8	34%	0.339	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.1	176.3	64.2	-176.4	-178	-172.7	0	111.1	T133 H134	T133-K174 CarbonylContact C-O 3.45Å; T133-K174 WeakPolarHBondContact CA-O 3.39Å; H134-K174 HydrophobicContact CB-CG 4.01Å; H134-K174 PolarHBondContact N-O 3.32Å; H134-K174 PolarHBondContact O-N 3.38Å
175	F	98.3	Very high	89.4	Confident	10 Å²	10	64.8 Å²	64.8	4%	0.044	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.3	175.4	-54.9	-67.5	0	0	0	110.1	K27 F31 T133 I161 P162 F166 F173	K27-F175 HydrophobicContact CG-CE2 4.13Å; K27-F175 HydrophobicContact CG-CZ 4.02Å; F31-F175 HydrophobicContact CB-CD1 4.05Å; F31-F175 HydrophobicContact CB-CE1 3.46Å; F31-F175 VanDerWaalsContact CB-CE1 3.46Å; F31-F175 HydrophobicContact CB-CE2 4.4Å; F31-F175 HydrophobicContact CB-CZ 3.66Å; F31-F175 AromaticContact CD1-CD1 3.46Å; F31-F175 HydrophobicContact CD1-CD1 3.46Å; F31-F175 VanDerWaalsContact CD1-CD1 3.46Å; F31-F175 AromaticContact CD1-CE1 3.61Å; F31-F175 HydrophobicContact CD1-CE1 3.61Å; F31-F175 HydrophobicContact CD1-CG 4.35Å; F31-F175 HydrophobicContact CD2-CB 4.37Å; F31-F175 AromaticContact CD2-CD1 3.72Å; F31-F175 HydrophobicContact CD2-CD1 3.72Å; F31-F175 HydrophobicContact CD2-CD2 4.23Å; F31-F175 HydrophobicContact CD2-CE1 4.01Å; F31-F175 HydrophobicContact CD2-CE2 4.49Å; F31-F175 AromaticContact CD2-CG 3.84Å; F31-F175 HydrophobicContact CD2-CG 3.84Å; F31-F175 HydrophobicContact CD2-CZ 4.38Å; F31-F175 AromaticContact CE1-CD1 3.73Å; F31-F175 HydrophobicContact CE1-CD1 3.73Å; F31-F175 HydrophobicContact CE1-CE1 4.34Å; F31-F175 HydrophobicContact CE1-CG 4.42Å; F31-F175 HydrophobicContact CE2-CB 3.92Å; F31-F175 AromaticContact CE2-CD1 3.95Å; F31-F175 HydrophobicContact CE2-CD1 3.95Å; F31-F175 AromaticContact CE2-CG 3.89Å; F31-F175 HydrophobicContact CE2-CG 3.89Å; F31-F175 AromaticContact CG-CD1 3.46Å; F31-F175 HydrophobicContact CG-CD1 3.46Å; F31-F175 VanDerWaalsContact CG-CD1 3.46Å; F31-F175 AromaticContact CG-CE1 3.42Å; F31-F175 HydrophobicContact CG-CE1 3.42Å; F31-F175 VanDerWaalsContact CG-CE1 3.42Å; F31-F175 HydrophobicContact CG-CG 4.07Å; F31-F175 AromaticContact CG-CZ 3.99Å; F31-F175 HydrophobicContact CG-CZ 3.99Å; F31-F175 HydrophobicContact CZ-CB 4.04Å; F31-F175 AromaticContact CZ-CD1 3.96Å; F31-F175 HydrophobicContact CZ-CD1 3.96Å; F31-F175 HydrophobicContact CZ-CG 4.2Å; T133-F175 HydrophobicContact CG2-CD1 4.03Å; T133-F175 HydrophobicContact CG2-CE1 3.8Å; T133-F175 VanDerWaalsContact OG1-CD1 3.26Å; T133-F175 WeakPolarHBondContact OG1-CD1 3.31Å; T133-F175 VanDerWaalsContact OG1-CE1 3.29Å; T133-F175 WeakPolarHBondContact OG1-CE1 3.47Å; I161-F175 HydrophobicContact CG2-CB 3.78Å; P162-F175 HydrophobicContact CB-CD2 4.26Å; P162-F175 HydrophobicContact CG-CD2 4.1Å; P162-F175 HydrophobicContact CG-CE2 4.5Å; F166-F175 HydrophobicContact CD2-CD2 4.29Å; F166-F175 AromaticContact CD2-CE2 3.94Å; F166-F175 HydrophobicContact CD2-CE2 3.94Å; F166-F175 AromaticContact CE2-CD2 3.92Å; F166-F175 HydrophobicContact CE2-CD2 3.92Å; F166-F175 AromaticContact CE2-CE2 3.84Å; F166-F175 HydrophobicContact CE2-CE2 3.84Å; F173-F175 HydrophobicContact CD2-CE1 4.36Å; F173-F175 HydrophobicContact CD2-CE2 4.49Å; F173-F175 HydrophobicContact CD2-CZ 4.06Å; F173-F175 HydrophobicContact CE2-CE1 4.4Å; F173-F175 HydrophobicContact CE2-CE2 4.12Å; F173-F175 AromaticContact CE2-CZ 3.7Å; F173-F175 HydrophobicContact CE2-CZ 3.7Å
176	C	97.9	Very high	86.5	Confident	8 Å²	8	71.6 Å²	71.6	5%	0.054	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.9	178.8	-70.3	0	0	0	0	109.9	C132 Y178	C132-C176 PolarHBondContact N-O 2.84Å; C132-C176 PolarHBondContact O-N 2.93Å; C176-Y178 HydrophobicContact CB-CD2 4.3Å; C176-Y178 HydrophobicContact CB-CE2 3.34Å; C176-Y178 WeakPolarHBondContact CB-OH 3.48Å
177	V	98.3	Very high	86	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.006	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.9	176.1	-175.5	0	0	0	0	109.2	R129 I130 Y131 K155 V156 L158 I161	R129-V177 HydrophobicContact CG-CG1 3.66Å; I130-V177 CarbonylContact O-C 3.46Å; I130-V177 VanDerWaalsContact O-CA 3.31Å; I130-V177 WeakPolarHBondContact O-CA 3.37Å; Y131-V177 HydrophobicContact CD1-CG1 4.32Å; Y131-V177 HydrophobicContact CD1-CG2 3.58Å; Y131-V177 HydrophobicContact CE1-CG1 4.18Å; Y131-V177 HydrophobicContact CE1-CG2 3.85Å; Y131-V177 HydrophobicContact CG-CG2 4.33Å; K155-V177 WeakPolarHBondContact CA-O 3.26Å; V156-V177 HydrophobicContact CB-CB 4.39Å; V156-V177 HydrophobicContact CB-CG1 4.19Å; V156-V177 PolarHBondContact N-O 3.32Å; L158-V177 HydrophobicContact CD1-CB 4.42Å; L158-V177 HydrophobicContact CD1-CG1 4.04Å; L158-V177 HydrophobicContact CD1-CG2 4.19Å; I161-V177 HydrophobicContact CD1-CG2 3.99Å; I161-V177 HydrophobicContact CG1-CG2 3.79Å; I161-V177 HydrophobicContact CG2-CG2 4.28Å
178	Y	97.9	Very high	85.3	Confident	30 Å²	30	71.7 Å²	71.7	12%	0.118	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.2	-176	-57.8	-85.5	0	0	0	110.7	R129 I130 C132 H134 W150 L153 K154 K155 C176	R129-Y178 CarbonylContact C-O 3.43Å; R129-Y178 VanDerWaalsContact CA-O 3.27Å; R129-Y178 WeakPolarHBondContact CA-O 3.48Å; I130-Y178 PolarHBondContact N-O 3.07Å; I130-Y178 PolarHBondContact O-N 3Å; C132-Y178 HydrophobicContact CB-CD2 4.19Å; C132-Y178 HydrophobicContact CB-CE2 3.96Å; H134-Y178 AromaticContact NE2-CE2 3.5Å; H134-Y178 WeakPolarHBondContact NE2-CE2 3.25Å; H134-Y178 AromaticContact NE2-CZ 3.72Å; H134-Y178 PolarHBondContact NE2-OH 3.14Å; W150-Y178 HydrophobicContact CE3-CD2 4.47Å; W150-Y178 HydrophobicContact CE3-CE2 4.28Å; W150-Y178 AromaticContact CZ3-CD2 3.86Å; W150-Y178 HydrophobicContact CZ3-CD2 3.86Å; W150-Y178 AromaticContact CZ3-CE2 3.75Å; W150-Y178 HydrophobicContact CZ3-CE2 3.75Å; W150-Y178 HydrophobicContact CZ3-CG 4.46Å; L153-Y178 HydrophobicContact CB-CD1 3.98Å; L153-Y178 HydrophobicContact CB-CG 4.35Å; L153-Y178 HydrophobicContact CD1-CD1 4.37Å; L153-Y178 HydrophobicContact CD1-CG 4.14Å; K154-Y178 CarbonylContact O-C 3.51Å; K154-Y178 WeakPolarHBondContact O-CA 3.46Å; K155-Y178 HydrophobicContact CB-CD1 4.29Å; K155-Y178 HydrophobicContact CB-CE1 4.26Å; K155-Y178 HydrophobicContact CG-CE1 4.27Å; C176-Y178 HydrophobicContact CB-CD2 4.3Å; C176-Y178 HydrophobicContact CB-CE2 3.34Å; C176-Y178 WeakPolarHBondContact CB-OH 3.48Å
179	D	97.2	Very high	84.7	Confident	44 Å²	44	73.2 Å²	73.2	24%	0.235	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.3	163.2	-75.1	-26.9	0	0	0	109	R129 K154 V156	R129-D179 IonicContact CZ-OD1 3.98Å; R129-D179 VanDerWaalsContact CZ-OD1 3.27Å; R129-D179 IonicContact CZ-OD2 2.74Å; R129-D179 IonicContact NE-OD1 3.54Å; R129-D179 PolarHBondContact NE-OD1 3.1Å; R129-D179 IonicContact NE-OD2 2.71Å; R129-D179 VanDerWaalsContact NH2-CG 3.32Å; R129-D179 IonicContact NH2-OD1 2.58Å; R129-D179 PolarHBondContact NH2-OD1 2.83Å; R129-D179 IonicContact NH2-OD2 3Å; R129-D179 PolarHBondContact NH2-OD2 2.98Å; K154-D179 PolarHBondContact N-O 2.93Å; K154-D179 PolarHBondContact O-N 3.47Å; V156-D179 HydrophobicContact CG2-CB 4.13Å; V156-D179 VanDerWaalsContact CG2-OD2 3.31Å; V156-D179 WeakPolarHBondContact CG2-OD2 3.07Å
180	V	95	Very high	84	Confident	34 Å²	34	70.8 Å²	70.8	21%	0.206	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123	170.2	-173.7	0	0	0	0	107.1	L121 V128 I130 L153 S182	L121-V180 HydrophobicContact CD2-CG2 4.16Å; V128-V180 HydrophobicContact CB-CB 4.01Å; V128-V180 HydrophobicContact CB-CG2 3.81Å; V128-V180 HydrophobicContact CG1-CG2 3.89Å; V128-V180 PolarHBondContact O-N 2.9Å; I130-V180 HydrophobicContact CD1-CG2 3.88Å; I130-V180 HydrophobicContact CG1-CG2 4.03Å; L153-V180 HydrophobicContact CD2-CB 4.12Å; L153-V180 HydrophobicContact CD2-CG1 4.15Å; L153-V180 HydrophobicContact CD2-CG2 3.87Å; V180-S182 PolarHBondContact O-N 2.83Å
181	P	89	Confident	83.3	Confident	64 Å²	64	70.9 Å²	70.9	42%	0.416	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-56.9	126.9	174.9	-20.7	30.7	0	0	0	109	K152 E183	K152-P181 WeakPolarHBondContact O-CD 3.26Å; K152-P181 WeakPolarHBondContact O-CG 3.24Å; P181-E183 VanDerWaalsContact C-N 3.33Å; P181-E183 PolarHBondContact O-N 2.74Å
182	S	76.4	Confident	82.4	Confident	85 Å²	85	72.7 Å²	72.7	59%	0.594	37%	0.372	S	S	*	.			trans	-61.1	106.2	156.7	-36.2	0	0	0	0	104.5	V180 Q184	V180-S182 PolarHBondContact O-N 2.83Å; S182-Q184 PolarHBondContact O-N 2.93Å
183	E	68.1	Low	81.2	Confident	139 Å²	139	74.7 Å²	74.7	65%	0.65	38%	0.379	S	S	*	.			trans	-56	103.9	158.5	-69.9	-170.6	172.5	0	0	103.7	P181 F185	P181-E183 VanDerWaalsContact C-N 3.33Å; P181-E183 PolarHBondContact O-N 2.74Å; E183-F185 VanDerWaalsContact C-N 3.33Å; E183-F185 WeakPolarHBondContact O-CD2 3.46Å; E183-F185 VanDerWaalsContact O-CE2 3.23Å; E183-F185 WeakPolarHBondContact O-CE2 3.45Å; E183-F185 PolarHBondContact O-N 3.07Å
184	Q	42.9	Very low	79.9	Confident	172 Å²	172	80.4 Å²	80.4	80%	0.804	41%	0.408	S	S	*	.			trans	-60.9	104.9	179.8	-81.1	-176.4	-15.4	0	0	105	S182 I186	S182-Q184 PolarHBondContact O-N 2.93Å; Q184-I186 PolarHBondContact O-N 3.13Å
185	F	43.8	Very low	78.4	Confident	154 Å²	154	80.6 Å²	80.6	68%	0.675	41%	0.413	S	S	*	.			trans	-58	103.3	171	-66.5	-92.8	0	0	0	106.6	E183	E183-F185 VanDerWaalsContact C-N 3.33Å; E183-F185 WeakPolarHBondContact O-CD2 3.46Å; E183-F185 VanDerWaalsContact O-CE2 3.23Å; E183-F185 WeakPolarHBondContact O-CE2 3.45Å; E183-F185 PolarHBondContact O-N 3.07Å
186	I	36.2	Very low	76.6	Confident	226 Å²	226	87 Å²	87	100%	1.159	45%	0.447	S	S	*	.			trans	-102.1	0	155.9	-53.8	179	0	0	0	105.6	Q184	Q184-I186 PolarHBondContact O-N 3.13Å

Retrieved 186 of 186 residues in 39.9 ms (Link to these results)

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